75 i = 1, E = -8671.5367087230 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.9676119962 -0.1295618261 1.9485420679 Pt -0.1295972344 1.9674223238 1.9482288940 Pt -0.0132896119 -0.0126620492 3.8388802391 Pt 1.9539972048 1.9541806903 3.8537551691 Pt 1.9712153967 -0.0017938744 5.7298771591 Pt -0.0010711216 1.9703518696 5.7315600890 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.9500071682 3.8993480698 1.9551616926 Pt -0.1239061757 5.8357314482 1.9654163841 Pt -0.1220247262 3.9131605658 3.8430230473 Pt 1.9529569427 5.8543578724 3.8553714344 Pt 1.9620915562 3.9061106355 5.8489545172 Pt -0.0058849979 5.8479754034 5.7222037665 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9486429466 7.8024196424 1.9565477394 Pt -0.0100939162 9.7612253302 1.9648825204 Pt -0.1269507411 7.7835080100 3.8548903764 Pt 1.9678228363 9.8778994838 3.8546229960 Pt 1.9522170487 7.7987245354 5.8612349921 Pt 0.0634810733 9.6874342959 5.6647949892 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8354524928 -0.1239281507 1.9653935542 Pt 3.8994146492 1.9498141768 1.9552879805 Pt 3.9134031519 -0.1219689941 3.8432295455 Pt 5.8546450655 1.9529300393 3.8554155564 Pt 5.8478007528 -0.0057642592 5.7222827070 Pt 3.9060630383 1.9616424923 5.8486579650 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8602010003 3.8905230265 1.9461654884 Pt 3.8906659962 5.8603761053 1.9460317422 Pt 3.8899884896 3.8900206805 3.8596429337 Pt 5.8612440921 5.8612681942 3.8594122239 Pt 5.8461042054 3.9042837469 5.8262007955 Pt 3.9044462283 5.8462420212 5.8262018439 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8515066260 7.8014306899 1.9555854706 Pt 3.9156713003 9.8753489269 1.9653248933 Pt 3.8962321880 7.7977354027 3.8551416060 Pt 5.8359780838 9.8731806277 3.8430321198 Pt 5.8444440969 7.7893798742 5.8476982196 Pt 3.9029678534 9.7570960669 5.7220660497 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.7612341974 -0.0101259903 1.9648584688 Pt 7.8024730737 1.9486393828 1.9564704113 Pt 7.7834911188 -0.1268851040 3.8547437107 Pt 9.8778568123 1.9678435897 3.8546036858 Pt 9.6873922186 0.0634855340 5.6648400801 Pt 7.7987397828 1.9522436981 5.8612226305 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 9.8753986757 3.9156716970 1.9653130714 Pt 7.8013692385 5.8514642619 1.9556350597 Pt 7.7977259412 3.8962283171 3.8551648907 Pt 9.8731882719 5.8359489677 3.8430442740 Pt 9.7571273138 3.9029872613 5.7221084969 Pt 7.7893856475 5.8444239558 5.8476340802 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 9.8807450130 7.7825428967 1.9491118116 Pt 7.7825164073 9.8807178864 1.9490721732 Pt 7.7965665943 7.7965706312 3.8540891283 Pt 9.7642741208 9.7642706924 3.8395882191 Pt 9.7548554540 7.7817521796 5.7273597874 Pt 7.7817355403 9.7548751499 5.7273514814 H 2.3309028857 1.4800544230 9.7212089449 O 1.3975440845 1.5993961989 9.4940118729 H 1.1699695920 2.4404983170 9.9161851156 75 i = 2, E = -8671.6266806761 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.9715137319 -0.3055566834 1.9465192428 Pt -0.3056976554 1.9711732757 1.9458224928 Pt -0.0317222863 -0.0298473610 3.7484681452 Pt 1.9483671285 1.9491557989 3.7829253223 Pt 2.0181849387 -0.0158756612 5.5845307783 Pt -0.0133401976 2.0165443209 5.5883617082 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8716104412 3.8856702703 1.9849899166 Pt -0.2999665895 5.8354742933 1.9765400756 Pt -0.3037898345 3.8996733411 3.7667464532 Pt 1.9138833689 5.8609150500 3.8255080469 Pt 1.9862545871 3.9014892122 5.8489145429 Pt -0.0982678466 5.8474461084 5.6567029171 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9192729646 7.8310524559 1.9949889354 Pt -0.0231705909 9.7742373207 2.0202880594 Pt -0.3150024079 7.7373165972 3.7568093577 Pt 2.0132001542 10.0648613283 3.7560542107 Pt 1.9763519789 7.7726718641 5.8416891193 Pt 0.1230750243 9.6273489245 5.4751282854 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8351153721 -0.3001399613 1.9763052629 Pt 3.8857562686 1.8712280276 1.9852736442 Pt 3.9006095697 -0.3037695102 3.7665360432 Pt 5.8616630331 1.9139684492 3.8253373208 Pt 5.8473486784 -0.0987269892 5.6577536766 Pt 3.9013851207 1.9853692052 5.8479091677 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8753198989 3.8747470014 1.9661185696 Pt 3.8749316926 5.8755635994 1.9660321100 Pt 3.8748384536 3.8748586101 3.8695289468 Pt 5.8749849972 5.8750084659 3.8690323356 Pt 5.8433921734 3.9057764914 5.8419863962 Pt 3.9060753911 5.8436771910 5.8420277337 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8642534891 7.8795308510 1.9843040601 Pt 3.9149413980 10.0517129193 1.9754194998 Pt 3.8877574775 7.8356331968 3.8245679238 Pt 5.8461223543 10.0549702277 3.7660511694 Pt 5.8486794231 7.7653991689 5.8455393702 Pt 3.9021516232 9.8504246770 5.6575062639 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.7743103183 -0.0232831659 2.0201410246 Pt 7.8312276936 1.9193311259 1.9946926687 Pt 7.7373637063 -0.3147532205 3.7563542687 Pt 10.0647516200 2.0132177791 3.7559728788 Pt 9.6272409852 0.1231225388 5.4752267272 Pt 7.7730296650 1.9766272542 5.8417509366 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.0518670135 3.9149528258 1.9753812299 Pt 7.8793813560 5.8642079140 1.9843599251 Pt 7.8356998386 3.8878292167 3.8246320837 Pt 10.0549527774 5.8460230623 3.7660988487 Pt 9.8504133352 3.9022215070 5.6575363550 Pt 7.7653654008 5.8485606000 5.8454329694 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.0566760995 7.7767193760 1.9475346042 Pt 7.7766784215 10.0565960973 1.9474524552 Pt 7.8005041123 7.8004603220 3.7826939152 Pt 9.7836865511 9.7836739888 3.7487700911 Pt 9.7718918546 7.7369105760 5.5765526869 Pt 7.7368646652 9.7719305262 5.5765497834 H 2.3311202527 1.4770617070 9.7220342292 O 1.3971383294 1.6062699308 9.4799046764 H 1.1666960022 2.4396235261 9.9290217891 75 i = 3, E = -8671.7160850174 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.9623443969 -0.5064530635 1.8945571447 Pt -0.5067491272 1.9621244178 1.8936717368 Pt -0.0659621784 -0.0629410034 3.6297361163 Pt 1.9151602714 1.9163654025 3.7083889713 Pt 2.0738343814 -0.0547079982 5.4309144871 Pt -0.0502565416 2.0730050160 5.4357170801 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7838948663 3.8927953177 1.9948490745 Pt -0.4838658593 5.8249728221 1.9284558977 Pt -0.5246234885 3.9103444655 3.6648778407 Pt 1.8296474596 5.8653571118 3.8102327399 Pt 1.9769216612 3.9198237546 5.8072606443 Pt -0.1617934628 5.8402773815 5.5219392072 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.8810037810 7.8686083592 2.0300869462 Pt -0.0472191043 9.7982520239 2.0777775553 Pt -0.5650024079 7.6682409661 3.6517690320 Pt 2.0820096195 10.3141850631 3.6507169998 Pt 2.0018614013 7.7458490703 5.7651560130 Pt 0.1814497823 9.5686605852 5.2775168126 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8251255536 -0.4843651345 1.9278228913 Pt 3.8927213436 1.7834393896 1.9955492827 Pt 3.9131284109 -0.5248076595 3.6637632674 Pt 5.8666130861 1.8294287857 3.8102095649 Pt 5.8404109609 -0.1619294552 5.5229664417 Pt 3.9202876279 1.9745895607 5.8051581370 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8858238945 3.8638122930 1.9921316198 Pt 3.8639917637 5.8861668511 1.9920041053 Pt 3.8676955766 3.8677706898 3.8328468982 Pt 5.8802712534 5.8802460500 3.8319986903 Pt 5.8503151621 3.8981800160 5.8163516151 Pt 3.8986820275 5.8507618760 5.8165110256 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8557645521 7.9667598349 1.9946141780 Pt 3.9225416723 10.2361366266 1.9253962206 Pt 3.8821187875 7.9205784169 3.8097086756 Pt 5.8304281443 10.2754578395 3.6630329592 Pt 5.8302650286 7.7768261618 5.8000610001 Pt 3.9071814340 9.9140009994 5.5219119751 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.7984766848 -0.0474619489 2.0774780332 Pt 7.8689070810 1.8812692180 2.0295777022 Pt 7.6680817107 -0.5644367040 3.6512565030 Pt 10.3139791061 2.0819818704 3.6506302637 Pt 9.5684303594 0.1814790112 5.2776242842 Pt 7.7463067858 2.0022053380 5.7653875682 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.2365460036 3.9226153507 1.9252868838 Pt 7.9665159231 5.8557962017 1.9945807885 Pt 7.9206474478 3.8821623700 3.8096175071 Pt 10.2753509306 5.8303132246 3.6630344687 Pt 9.9139635281 3.9072250311 5.5219965727 Pt 7.7767233872 5.8300431763 5.8000232888 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.2567317535 7.7840842371 1.8953342569 Pt 7.7840479727 10.2565823934 1.8952448603 Pt 7.8319972452 7.8319274305 3.7073449710 Pt 9.8211029500 9.8211126180 3.6281708489 Pt 9.8140786136 7.6833914081 5.4166643219 Pt 7.6833242391 9.8141650898 5.4166696208 H 2.3262804595 1.4740868417 9.7220436771 O 1.3968348471 1.6196454396 9.4611091596 H 1.1631327865 2.4358126397 9.9454073216 75 i = 4, E = -8671.8004416876 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.9472216171 -0.6994232986 1.8406651617 Pt -0.6998891463 1.9471185596 1.8395458315 Pt -0.0873275986 -0.0834883503 3.5236505351 Pt 1.8823873043 1.8838340393 3.6369789074 Pt 2.1230735912 -0.0904388719 5.2917610734 Pt -0.0845153355 2.1231523207 5.2975931345 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7076722228 3.8991982926 2.0072151848 Pt -0.6543172463 5.8103569215 1.8622398073 Pt -0.7436568300 3.9111100705 3.5670817659 Pt 1.7586545978 5.8698190476 3.7839370626 Pt 1.9677239164 3.9316389315 5.7608484983 Pt -0.2251268255 5.8300551267 5.4058873266 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.8450091683 7.9036564405 2.0623741852 Pt -0.0706420461 9.8213067039 2.1285570472 Pt -0.8150024079 7.6236814854 3.5602643105 Pt 2.1260330853 10.5636150353 3.5589182259 Pt 2.0245349100 7.7220146688 5.6931001997 Pt 0.2378908274 9.5116663300 5.0856669943 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8111709824 -0.6551908554 1.8609558804 Pt 3.8990132355 1.7070604598 2.0082665833 Pt 3.9153388028 -0.7441150297 3.5652581444 Pt 5.8715461227 1.7581751052 3.7838843399 Pt 5.8303679985 -0.2250372026 5.4069773006 Pt 3.9325855696 1.9639562240 5.7576239061 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8951456958 3.8540511162 2.0126614075 Pt 3.8542567758 5.8955704728 2.0124891063 Pt 3.8587485197 3.8589304617 3.7957048839 Pt 5.8876000376 5.8875098730 3.7946577025 Pt 5.8532681770 3.8946096545 5.7855746425 Pt 3.8953140611 5.8539119297 5.7858332188 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8480726274 8.0426505552 2.0072904629 Pt 3.9342586019 10.4073269977 1.8568529568 Pt 3.8764225184 7.9920624956 3.7835568280 Pt 5.8251622640 10.4942719542 3.5640003421 Pt 5.8189082901 7.7881081142 5.7497861449 Pt 3.9155328944 9.9772784729 5.4053939742 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8215507724 -0.0709202358 2.1280959918 Pt 7.9041443445 1.8454528164 2.0616638598 Pt 7.6234927115 -0.8140957464 3.5596865601 Pt 10.5632760682 2.1260278873 3.5587875257 Pt 9.5113404594 0.2378878026 5.0857563836 Pt 7.7225983301 2.0249783609 5.6934949805 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.4080330881 3.9343860820 1.8566875412 Pt 8.0423335766 5.8481675439 2.0071598275 Pt 7.9921424409 3.8764707566 3.7833457049 Pt 10.4940428857 5.8250912317 3.5639484810 Pt 9.9772214718 3.9155394691 5.4054878473 Pt 7.7879468788 5.8185726891 5.7498218090 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.4485185736 7.7976914498 1.8414737243 Pt 7.7976660420 10.4482900497 1.8413859563 Pt 7.8637400193 7.8636866327 3.6353972012 Pt 9.8450193478 9.8450745559 3.5202871595 Pt 9.8527234349 7.6367479246 5.2719942791 Pt 7.6366992087 9.8528393946 5.2720055124 H 2.3220263175 1.4711094422 9.7217050006 O 1.3963112937 1.6303717599 9.4484332988 H 1.1594982944 2.4320304405 9.9601889131 75 i = 5, E = -8671.7749596800 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.9108018091 -0.8977994693 1.7760015232 Pt -0.8986012505 1.9108481697 1.7745656237 Pt -0.1047025373 -0.1000341610 3.4044978264 Pt 1.8527452332 1.8541949020 3.5585734142 Pt 2.1790354802 -0.1328363770 5.1519561962 Pt -0.1253030149 2.1804235178 5.1589860216 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.6339460205 3.9066263008 2.0216918148 Pt -0.8259440640 5.7967915144 1.7617468759 Pt -0.9590842243 3.9194183727 3.4941104027 Pt 1.6955147798 5.8786177368 3.7495919838 Pt 1.9593804627 3.9417628974 5.7122675697 Pt -0.2905311484 5.8166087410 5.2832305953 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.8027517565 7.9453090390 2.0722160500 Pt -0.0737410445 9.8242280910 2.1875488215 Pt -1.0650024079 7.6105138074 3.4895420118 Pt 2.1376973970 10.8115316307 3.4879809754 Pt 2.0461350631 7.6989324154 5.6142274965 Pt 0.2856027411 9.4633318164 4.8839645854 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.7984659824 -0.8271447415 1.7593754151 Pt 3.9064506975 1.6330666381 2.0229140019 Pt 3.9246199509 -0.9599570861 3.4914823562 Pt 5.8807541763 1.6947416982 3.7493688165 Pt 5.8170689604 -0.2905868669 5.2851088957 Pt 3.9429812982 1.9545826726 5.7080074119 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.9054506478 3.8430593978 2.0281863077 Pt 3.8432785229 5.9060008629 2.0280010077 Pt 3.8484172958 3.8488456863 3.7567280684 Pt 5.8963058130 5.8961974654 3.7553060914 Pt 5.8535918080 3.8939528093 5.7545385387 Pt 3.8948325445 5.8544734640 5.7549006732 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8392531714 8.1158636659 2.0217215760 Pt 3.9452376379 10.5791013679 1.7530687241 Pt 3.8664165849 8.0559720916 3.7492361122 Pt 5.8124942616 10.7108746270 3.4894971895 Pt 5.8093132754 7.7984593036 5.6975930213 Pt 3.9273573497 10.0426367348 5.2823559802 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8249223817 -0.0744116363 2.1868367858 Pt 7.9460060882 1.8035363592 2.0712621387 Pt 7.6103154786 -1.0638712334 3.4888627201 Pt 10.8106598370 2.1375577205 3.4876768733 Pt 9.4630411426 0.2855732393 4.8842369705 Pt 7.6998283019 2.0469644391 5.6148160698 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.5803042512 3.9455071383 1.7528482916 Pt 8.1155009990 5.8394068114 2.0215092009 Pt 8.0560389215 3.8665295229 3.7489001685 Pt 10.7108056544 5.8123348003 3.4894582667 Pt 10.0427524733 3.9272631130 5.2826340501 Pt 7.7981735583 5.8088946125 5.6976657152 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.6456291471 7.8322641716 1.7765770011 Pt 7.8321746440 10.6453725285 1.7765055089 Pt 7.8914940908 7.8914405388 3.5567146943 Pt 9.8663939834 9.8664904058 3.3995410035 Pt 9.8993727661 7.5830833018 5.1264335301 Pt 7.5830389947 9.8994533898 5.1264547379 H 2.3178851728 1.4683368967 9.7210713724 O 1.3978056419 1.6444384295 9.4333212527 H 1.1558400683 2.4284091719 9.9745836884 75 i = 6, E = -8671.8783099333 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8944419341 -0.8070576692 1.7204108935 Pt -0.8080351374 1.8947189981 1.7192530698 Pt -0.0965744387 -0.0923591863 3.4239164886 Pt 1.8489676940 1.8499765973 3.5699675625 Pt 2.1682572195 -0.1317543965 5.2021079468 Pt -0.1249829314 2.1703431610 5.2081969722 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.6616031021 3.9124842226 2.0075413209 Pt -0.7357127564 5.8037330961 1.6999362523 Pt -0.8294499152 3.9378877846 3.5329903580 Pt 1.7178031277 5.8799755320 3.7412932089 Pt 1.9515525292 3.9380350294 5.6977379414 Pt -0.2690293525 5.8148587167 5.3094550650 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.8143725697 7.9334908143 2.0477474115 Pt -0.0673213405 9.8176438947 2.1709930368 Pt -0.9498639021 7.6702938218 3.5571724750 Pt 2.0773353448 10.6972792428 3.5558198474 Pt 2.0405014610 7.7053241269 5.6115193080 Pt 0.2619076701 9.4868259933 4.9399532348 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8055486637 -0.7371019909 1.6974786061 Pt 3.9123918078 1.6607398646 2.0086898388 Pt 3.9422015156 -0.8301649379 3.5307350766 Pt 5.8819868116 1.7168107434 3.7410439127 Pt 5.8152243150 -0.2685336742 5.3105131282 Pt 3.9395838757 1.9466509966 5.6935398135 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.9004024095 3.8480667336 2.0175885558 Pt 3.8483518698 5.9008917943 2.0173295431 Pt 3.8518568085 3.8523599324 3.7473193440 Pt 5.8934261562 5.8933019926 3.7459887491 Pt 5.8564732787 3.8915434453 5.7386351019 Pt 3.8924522279 5.8574120226 5.7390088825 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8333308544 8.0883604478 2.0076737439 Pt 3.9383026034 10.4898707850 1.6916695994 Pt 3.8655310405 8.0342665383 3.7408260484 Pt 5.7964826124 10.5822172605 3.5287396322 Pt 5.8127782579 7.8059168380 5.6835835828 Pt 3.9294329428 10.0205748493 5.3085186363 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8181524277 -0.0678516577 2.1703590006 Pt 7.9342926027 1.8150861695 2.0468873908 Pt 7.6700108989 -0.9489398617 3.5566253975 Pt 10.6961181104 2.0767973114 3.5554407298 Pt 9.4865063802 0.2618530964 4.9401375706 Pt 7.7061116350 2.0411486075 5.6120634215 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.4913254499 3.9385575582 1.6915785152 Pt 8.0880119117 5.8334883035 2.0074668598 Pt 8.0343347312 3.8656137602 3.7405376791 Pt 10.5823449601 5.7958910575 3.5286865032 Pt 10.0206045155 3.9291708251 5.3085749924 Pt 7.8056667681 5.8123348227 5.6836643638 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.5540717083 7.8493143126 1.7200706120 Pt 7.8492401991 10.5538995067 1.7201300926 Pt 7.8966111446 7.8965241646 3.5684022555 Pt 9.8585850162 9.8587493235 3.4175463565 Pt 9.8972290589 7.5935364109 5.1801199524 Pt 7.5935360729 9.8973636661 5.1800854006 H 2.3178418188 1.4691416934 9.7202060697 O 1.3991590207 1.6433974934 9.4400020560 H 1.1565018871 2.4282548784 9.9702233816 75 i = 7, E = -8671.9209625915 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8793599287 -0.8546316200 1.6368137806 Pt -0.8564035459 1.8801229101 1.6356761000 Pt -0.0793552305 -0.0752587484 3.3588463625 Pt 1.8305779078 1.8306895072 3.5404132258 Pt 2.1778979221 -0.1557178989 5.1755483282 Pt -0.1483215298 2.1810987637 5.1824965357 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.6605059423 3.9163523552 1.9915144277 Pt -0.7811792308 5.8316049439 1.6200327378 Pt -0.8188032371 3.9664796215 3.4690910804 Pt 1.7407874118 5.8892620875 3.6926681354 Pt 1.9385973075 3.9274075427 5.6462087294 Pt -0.2934972344 5.8063829292 5.2808767082 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.8104228266 7.9362084350 1.9934684993 Pt -0.0528405252 9.8024423763 2.1763203888 Pt -1.0157133907 7.6904139291 3.5493132297 Pt 2.0569252152 10.7618338928 3.5465833605 Pt 2.0227506872 7.7234694771 5.5711828091 Pt 0.2668429746 9.4802189760 4.8938182409 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8330048181 -0.7834436379 1.6180979316 Pt 3.9166704458 1.6592613624 1.9923820114 Pt 3.9711728167 -0.8183113761 3.4674650705 Pt 5.8916599739 1.7397677306 3.6917845693 Pt 5.8061482605 -0.2909767817 5.2793596645 Pt 3.9305929714 1.9311889237 5.6411346900 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.9035942182 3.8438464158 1.9982372286 Pt 3.8444447294 5.9040859651 1.9976819560 Pt 3.8387083396 3.8393090286 3.7144828486 Pt 5.9070321702 5.9069323978 3.7131958535 Pt 5.8492070755 3.8993270285 5.7020082470 Pt 3.9005041939 5.8505380763 5.7025836745 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8289728856 8.0891181853 1.9912590792 Pt 3.9118254013 10.5379080586 1.6125980228 Pt 3.8553748777 8.0107008319 3.6908897639 Pt 5.7678715168 10.5739949269 3.4660531506 Pt 5.8247359843 7.8208849906 5.6302085042 Pt 3.9379971143 10.0450797734 5.2811664678 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8029272678 -0.0535449776 2.1755357214 Pt 7.9373104487 1.8110582372 1.9927398061 Pt 7.6894897394 -1.0145839578 3.5493015455 Pt 10.7598547707 2.0562447189 3.5458225581 Pt 9.4795087806 0.2665882671 4.8943143757 Pt 7.7234661607 2.0222098651 5.5714694084 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.5401096442 3.9119746607 1.6122328789 Pt 8.0887623608 5.8289864330 1.9910254470 Pt 8.0106969394 3.8554240527 3.6908031106 Pt 10.5731304156 5.7668782902 3.4658306215 Pt 10.0444827469 3.9371505883 5.2802863808 Pt 7.8210684680 5.8237254593 5.6302216006 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.5986963673 7.8644709520 1.6359157433 Pt 7.8644202694 10.5986105491 1.6360736025 Pt 7.9171954303 7.9172160710 3.5388428503 Pt 9.8424067282 9.8426394720 3.3515510377 Pt 9.9218260004 7.5867028974 5.1508001083 Pt 7.5870792693 9.9221020003 5.1510654740 H 2.3165459886 1.4693525104 9.7201001004 O 1.4046152834 1.6541062829 9.4337217431 H 1.1561676530 2.4259608944 9.9752133868 75 i = 8, E = -8671.9863488631 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8480191348 -1.0340337885 1.3899921958 Pt -1.0378481368 1.8500140981 1.3896001189 Pt -0.0502485006 -0.0458325949 3.1447424428 Pt 1.7912917048 1.7902770889 3.4595536156 Pt 2.2451464492 -0.2451081776 5.0819350879 Pt -0.2348701268 2.2541217607 5.0893476395 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.6802859714 3.9130220285 1.9526774756 Pt -0.9742477832 5.9107446650 1.3867142814 Pt -0.7368275047 4.0003477077 3.2625507569 Pt 1.7789141285 5.9277288620 3.5785956399 Pt 1.9163676459 3.8804753727 5.4790576575 Pt -0.3314730731 5.7919820584 5.1787343642 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.8248937137 7.9186137629 1.8578893277 Pt 0.0043083589 9.7424838760 2.1814124334 Pt -1.2324705474 7.7591622097 3.5436151217 Pt 1.9860142367 10.9765943966 3.5409609578 Pt 2.0010758847 7.7492874161 5.4493878424 Pt 0.2718960074 9.4727753158 4.7442608065 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9111270113 -0.9797777479 1.3827021478 Pt 3.9142248342 1.6788412738 1.9517804500 Pt 3.9998172230 -0.7374480214 3.2590356710 Pt 5.9308381386 1.7800973995 3.5726987138 Pt 5.7908263477 -0.3346969032 5.1903755547 Pt 3.8800676088 1.9112093983 5.4716966315 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8968640906 3.8498642359 1.9340439851 Pt 3.8497515974 5.8975434233 1.9351580127 Pt 3.8098052984 3.8112048861 3.6089433380 Pt 5.9348646900 5.9347437141 3.6072636618 Pt 5.8363784210 3.9153790216 5.5721350198 Pt 3.9166122823 5.8388074002 5.5723741705 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8309739039 8.0675339751 1.9509699132 Pt 3.8375688553 10.7415290463 1.3799900510 Pt 3.8144883464 7.9720583058 3.5733609310 Pt 5.7324718805 10.4900062121 3.2597000343 Pt 5.8756999038 7.8530804179 5.4563462804 Pt 3.9517548262 10.0776122408 5.1773029492 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.7432363372 0.0021522257 2.1796474323 Pt 7.9212513690 1.8255472652 1.8561489074 Pt 7.7621756287 -1.2324408319 3.5409083861 Pt 10.9726347863 1.9833150017 3.5383875874 Pt 9.4727853244 0.2702565117 4.7451310263 Pt 7.7511378652 2.0045756063 5.4504476905 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.7457208129 3.8376853870 1.3771967859 Pt 8.0674891397 5.8311547472 1.9511026078 Pt 7.9713322247 3.8153937709 3.5723447335 Pt 10.4948499291 5.7320598414 3.2621032984 Pt 10.0811965236 3.9501650630 5.1800534723 Pt 7.8513707915 5.8753726059 5.4564109028 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.7741367148 7.8897385234 1.3859157433 Pt 7.8902549194 10.7745104066 1.3866584028 Pt 7.9589979261 7.9591199520 3.4510838844 Pt 9.8294857631 9.8301748513 3.1392570102 Pt 10.0138545909 7.5171666441 5.0588972570 Pt 7.5185666392 10.0134636842 5.0593910728 H 2.3148389055 1.4699399899 9.7218207241 O 1.4223941192 1.6839562775 9.4158431743 H 1.1562851060 2.4172225335 9.9925263185 75 i = 9, E = -8672.0080616000 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8037911915 -1.0776613880 1.3126879426 Pt -1.0779112011 1.8015967539 1.3104300492 Pt -0.0120246963 -0.0052674876 3.0528068357 Pt 1.7847284438 1.7832722514 3.4713695538 Pt 2.2569382084 -0.2515019522 5.0570982336 Pt -0.2453203907 2.2662200351 5.0592061830 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7294818013 3.8802505800 1.9265203650 Pt -1.0414940851 5.8619071345 1.3452921080 Pt -0.7111618360 4.0329586440 3.1739557216 Pt 1.7830542125 5.9295901996 3.5522625569 Pt 1.8965086392 3.8678251590 5.4114805321 Pt -0.3219982926 5.7933079623 5.1058957471 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.8608631561 7.8845249204 1.8555412125 Pt 0.0500338895 9.6955967691 2.1375262052 Pt -1.2818471451 7.7860530264 3.5692298193 Pt 1.9563076210 11.0404474659 3.5750416405 Pt 1.9896086074 7.7611279222 5.4252148210 Pt 0.2618243175 9.4816179316 4.7548370306 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8592091435 -1.0468514754 1.3418380705 Pt 3.8813050336 1.7290592688 1.9261323153 Pt 4.0377260014 -0.7089003339 3.1726155275 Pt 5.9337888885 1.7799920507 3.5517638294 Pt 5.7911918583 -0.3224328438 5.1100500120 Pt 3.8680708430 1.8886246962 5.4032366580 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8737964493 3.8722910154 1.8939949374 Pt 3.8712909301 5.8748146365 1.8938503941 Pt 3.8139091068 3.8140736648 3.5865687204 Pt 5.9332832189 5.9331460948 3.5866470428 Pt 5.8333528815 3.9189800962 5.5038355903 Pt 3.9209297867 5.8367755041 5.5050892459 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8637591188 8.0175157383 1.9245225866 Pt 3.8913803585 10.8051272335 1.3329813121 Pt 3.8125886561 7.9679119227 3.5451559620 Pt 5.6990192381 10.4647869412 3.1694962886 Pt 5.8902920677 7.8737802307 5.3858111875 Pt 3.9480756980 10.0690642634 5.1079055894 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6958148595 0.0474352128 2.1368923596 Pt 7.8877254168 1.8617932859 1.8560498412 Pt 7.7848342547 -1.2824070639 3.5686387609 Pt 11.0430578483 1.9574447465 3.5754393189 Pt 9.4801487502 0.2606664687 4.7556688494 Pt 7.7630551935 1.9914704638 5.4250469637 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.8080988634 3.8958751440 1.3301282662 Pt 8.0188392488 5.8645274541 1.9244405368 Pt 7.9682846444 3.8129420585 3.5452484681 Pt 10.4667788872 5.6957551480 3.1711499816 Pt 10.0712623882 3.9448930916 5.1080501648 Pt 7.8729840375 5.8897997699 5.3860569742 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8265551742 7.9280201917 1.3037325306 Pt 7.9303340920 10.8240303129 1.3034031081 Pt 7.9765624975 7.9766220255 3.4575587448 Pt 9.8004538447 9.8008368738 3.0491784730 Pt 10.0106165368 7.4975242401 5.0521188180 Pt 7.4989961732 10.0126502977 5.0524958548 H 2.3150949761 1.4685202662 9.7251633354 O 1.4291250079 1.6969431948 9.4094080975 H 1.1558014438 2.4147355434 10.0018795625 75 i = 10, E = -8672.0254256479 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7938091662 -1.1183425679 1.3323270012 Pt -1.1196940503 1.7934304401 1.3290972263 Pt 0.0206334010 0.0264995557 2.9840193790 Pt 1.8035814992 1.8020035166 3.5175071419 Pt 2.2557307063 -0.2333844324 5.0694333431 Pt -0.2313508389 2.2622604113 5.0719920844 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7824936347 3.8492574929 1.8971604270 Pt -0.9788457198 5.8832507861 1.3445456819 Pt -0.6856892551 4.0421717440 3.1579292116 Pt 1.7747280102 5.8998114783 3.5580879672 Pt 1.8830825343 3.8843956382 5.3929795246 Pt -0.2845939229 5.8085287842 5.0371597879 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.8944698348 7.8514775537 1.8818068169 Pt 0.0948696769 9.6532000711 2.1032662653 Pt -1.2952363612 7.8050315679 3.5896249261 Pt 1.9327655848 11.0525925954 3.6002744307 Pt 1.9887125603 7.7625182665 5.4298780433 Pt 0.2460597618 9.5004035771 4.7916560035 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8822346201 -0.9840095862 1.3405488959 Pt 3.8512958923 1.7826115054 1.8978088111 Pt 4.0477820092 -0.6824648300 3.1608640693 Pt 5.9033093018 1.7691365743 3.5602995993 Pt 5.8058739273 -0.2819240255 5.0329706153 Pt 3.8857081129 1.8710428960 5.3850377186 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8611274896 3.8857779230 1.8836636389 Pt 3.8864379043 5.8608499078 1.8820657904 Pt 3.8394490955 3.8393466599 3.5942493716 Pt 5.9115025663 5.9113969673 3.5952619866 Pt 5.8425242599 3.9105993320 5.4604036099 Pt 3.9139354137 5.8468746099 5.4626450771 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8991732588 7.9680410183 1.9006767003 Pt 3.8668159926 10.7427792811 1.3265983752 Pt 3.8461285235 7.9779963188 3.5515244181 Pt 5.6998356218 10.4357086571 3.1637108967 Pt 5.8825649485 7.8895517636 5.3648721285 Pt 3.9341770141 10.0311600332 5.0418146274 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6531181710 0.0926909915 2.1042611891 Pt 7.8548643408 1.8952784900 1.8828576699 Pt 7.8004968506 -1.2945447941 3.5906684026 Pt 11.0577898229 1.9327259115 3.6030344749 Pt 9.4994633591 0.2461422252 4.7907759084 Pt 7.7639389260 1.9888130065 5.4293454200 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.7459892741 3.8695014893 1.3223011163 Pt 7.9700754493 5.8999379079 1.9012996350 Pt 7.9799432480 3.8468467655 3.5523527696 Pt 10.4339746268 5.6965370389 3.1640798382 Pt 10.0301579608 3.9297953311 5.0397550168 Pt 7.8895745882 5.8815225502 5.3654420707 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8706050364 7.9482439914 1.3202281092 Pt 7.9483269914 10.8687373658 1.3208455765 Pt 7.9783510232 7.9793030818 3.5005129845 Pt 9.7523007439 9.7515464611 2.9942882504 Pt 9.9789307886 7.4940919418 5.0541593938 Pt 7.4956270430 9.9816646038 5.0550152275 H 2.3170318902 1.4666475528 9.7304510461 O 1.4329300277 1.7036770615 9.4093262347 H 1.1557534391 2.4142979037 10.0099118125 75 i = 11, E = -8672.0341584833 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8190513126 -1.1545952029 1.3275178380 Pt -1.1580566887 1.8212440521 1.3251555778 Pt 0.0378961539 0.0429241724 2.9455545995 Pt 1.8101891209 1.8107535970 3.5342826692 Pt 2.2651132326 -0.2357557983 5.0640351101 Pt -0.2309009163 2.2731025782 5.0673255013 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7870019445 3.8509452863 1.8880442220 Pt -0.9806918194 5.8759218393 1.3606649244 Pt -0.6725212767 4.0227126790 3.1661535258 Pt 1.7885046434 5.8722521457 3.5439423386 Pt 1.8701973449 3.9103514873 5.4026247829 Pt -0.2840781163 5.8244562243 5.0140674716 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.8966334546 7.8511590767 1.8723404513 Pt 0.1117318885 9.6385989163 2.1347692443 Pt -1.2894865496 7.8098795572 3.5985065901 Pt 1.9299489526 11.0499603851 3.6096614813 Pt 1.9961783431 7.7529042249 5.4110616629 Pt 0.2383598549 9.5070342039 4.7739066022 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8755259900 -0.9849634097 1.3552612783 Pt 3.8532505824 1.7874486624 1.8873372782 Pt 4.0221245795 -0.6732398867 3.1646663871 Pt 5.8761187838 1.7888902277 3.5399638860 Pt 5.8236407308 -0.2933876574 5.0237131291 Pt 3.9057042304 1.8659472316 5.3956412798 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8779630113 3.8739774378 1.8887178447 Pt 3.8752935856 5.8770450927 1.8894720698 Pt 3.8493450281 3.8505845547 3.6018553062 Pt 5.8971080679 5.8965734672 3.5972065786 Pt 5.8530244151 3.8997738612 5.4669699537 Pt 3.9033497489 5.8569075788 5.4686056739 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9030242843 7.9668874121 1.8862328671 Pt 3.8787854705 10.7450336548 1.3460839017 Pt 3.8751219883 7.9647637725 3.5405964654 Pt 5.7103844431 10.4225540653 3.1626548571 Pt 5.8553535943 7.8931165205 5.3769277411 Pt 3.9132295417 10.0327992326 5.0205997001 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6392218542 0.1100384613 2.1348225686 Pt 7.8540446961 1.8974783364 1.8715420947 Pt 7.8105726556 -1.2891637962 3.5970577696 Pt 11.0543524326 1.9249333393 3.6112843121 Pt 9.5084113588 0.2378073407 4.7722200291 Pt 7.7571283499 2.0013589675 5.4124847316 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.7474877610 3.8795565790 1.3406172611 Pt 7.9677486431 5.9039909901 1.8870907847 Pt 7.9657898511 3.8771009010 3.5395888362 Pt 10.4249349540 5.7091324671 3.1635958118 Pt 10.0365811076 3.9096467458 5.0229193135 Pt 7.8905483720 5.8555920457 5.3777122521 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9082536604 7.9305627327 1.3168665875 Pt 7.9308370162 10.9072503492 1.3189278866 Pt 7.9565274750 7.9584391002 3.5052947521 Pt 9.7420774063 9.7407517471 2.9353423520 Pt 9.9947213229 7.4851802040 5.0651821792 Pt 7.4870819792 9.9945180590 5.0662539224 H 2.3170937255 1.4673158763 9.7343501542 O 1.4338473732 1.7059374211 9.4112197564 H 1.1573359004 2.4134312911 10.0163059637 75 i = 12, E = -8672.0404237738 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8332146883 -1.1887065870 1.2932571955 Pt -1.1908699464 1.8321540685 1.2881653547 Pt 0.0680937800 0.0727519824 2.8657715224 Pt 1.8250132341 1.8251797304 3.5517802619 Pt 2.2756955216 -0.2346684900 5.0683281173 Pt -0.2304092329 2.2798560503 5.0747216102 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7924077401 3.8398414738 1.8795132902 Pt -0.9705941086 5.8575422014 1.3748556074 Pt -0.6426132081 3.9923628825 3.1573331700 Pt 1.8085703526 5.8575298498 3.5240218251 Pt 1.8741425383 3.9258417283 5.4186004543 Pt -0.3000464758 5.8462572626 5.0155904210 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9147177487 7.8349358412 1.8582910214 Pt 0.1318534710 9.6229529570 2.1734896150 Pt -1.3163581310 7.8158349304 3.6030423885 Pt 1.9221980986 11.0645697192 3.6124040155 Pt 2.0021708348 7.7496878303 5.3742148848 Pt 0.2337140467 9.5119230904 4.7753975051 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8548917834 -0.9733672871 1.3737871613 Pt 3.8420447831 1.7923705358 1.8802077518 Pt 3.9948380904 -0.6415997184 3.1593987452 Pt 5.8613157220 1.8013711511 3.5277894411 Pt 5.8430528253 -0.2937094121 5.0090684231 Pt 3.9281947866 1.8623593982 5.4108788679 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8758900328 3.8728031161 1.8765156916 Pt 3.8743802762 5.8756412026 1.8740581868 Pt 3.8578633950 3.8570465062 3.6109165757 Pt 5.8978770160 5.8965395943 3.6053702862 Pt 5.8614357909 3.8909488174 5.4912369136 Pt 3.8961953218 5.8651462020 5.4938390323 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9123339384 7.9620888146 1.8807029434 Pt 3.8984269195 10.7362990624 1.3606796806 Pt 3.8961909677 7.9489399849 3.5210244394 Pt 5.7450534299 10.3924330896 3.1656040428 Pt 5.8411949591 7.8873318689 5.3958425034 Pt 3.8931304641 10.0466803305 5.0180816993 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6230465690 0.1310571539 2.1727251062 Pt 7.8374355294 1.9159427389 1.8585159997 Pt 7.8141146831 -1.3135397257 3.6046231591 Pt 11.0709211455 1.9165597802 3.6143616776 Pt 9.5102930955 0.2333956887 4.7755851609 Pt 7.7496963726 2.0000335768 5.3735301638 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.7389589152 3.9034501763 1.3581328332 Pt 7.9621441381 5.9145067456 1.8801748319 Pt 7.9514244282 3.8965090853 3.5219309061 Pt 10.3909073402 5.7408864352 3.1637112870 Pt 10.0461557955 3.8877979714 5.0168478322 Pt 7.8858220184 5.8406545211 5.3967395982 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9474118516 7.9178383035 1.2875325226 Pt 7.9188823923 10.9448205087 1.2894411999 Pt 7.9483340003 7.9498869206 3.5330757797 Pt 9.7049891659 9.7024980627 2.8519073173 Pt 9.9955348280 7.4750658076 5.0510231825 Pt 7.4768714440 9.9983204181 5.0526988758 H 2.3175818335 1.4684534683 9.7400358171 O 1.4355734180 1.7097842745 9.4164511006 H 1.1594763256 2.4127536544 10.0265678138 75 i = 13, E = -8672.0464970402 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8518302991 -1.2313052677 1.2462031171 Pt -1.2367720082 1.8548577573 1.2424671785 Pt 0.1274654694 0.1312334298 2.7504149321 Pt 1.8366610891 1.8393302500 3.5853217181 Pt 2.2789313238 -0.2204617365 5.0889659850 Pt -0.2159846201 2.2876529658 5.0948892956 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8019059275 3.8218245856 1.8812539050 Pt -0.9365040434 5.8332784116 1.4035449836 Pt -0.6119062863 3.9622470972 3.1668085966 Pt 1.8092510384 5.8432944455 3.5201573708 Pt 1.8730138872 3.9491019415 5.4387738364 Pt -0.2858761715 5.8571416177 4.9956192739 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9305578812 7.8248820229 1.8511745174 Pt 0.1671854987 9.5901254691 2.2050198673 Pt -1.3333515693 7.8340601138 3.6104143576 Pt 1.9106483058 11.0926254533 3.6153427326 Pt 1.9987713508 7.7537032099 5.3222431404 Pt 0.2315479370 9.5055337474 4.8054962810 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8338998670 -0.9411243885 1.4004233306 Pt 3.8231322587 1.8021068634 1.8807871096 Pt 3.9582686034 -0.6131551533 3.1596876204 Pt 5.8471721335 1.8121708802 3.5134236932 Pt 5.8575110593 -0.2981783086 5.0090383373 Pt 3.9408246827 1.8741902794 5.4345524959 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8668652437 3.8856989634 1.8664065979 Pt 3.8878652166 5.8659603659 1.8672219833 Pt 3.8617642664 3.8630461202 3.6396774800 Pt 5.8941703216 5.8931674263 3.6307583372 Pt 5.8688044920 3.8854004054 5.5332636674 Pt 3.8909246394 5.8715560382 5.5352261332 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9344039196 7.9552694645 1.8771442413 Pt 3.9248014026 10.7043410949 1.3890743136 Pt 3.9110150824 7.9440024547 3.5157688988 Pt 5.7652788119 10.3568279179 3.1620322506 Pt 5.8234932215 7.8831835667 5.4242332842 Pt 3.8768423664 10.0354670970 5.0012731800 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.5915919789 0.1678365329 2.2028547271 Pt 7.8274389950 1.9317036235 1.8502425503 Pt 7.8381635749 -1.3336435175 3.6084113120 Pt 11.1020629120 1.9022219490 3.6171233733 Pt 9.5072118664 0.2317503503 4.8066558757 Pt 7.7636267408 2.0084409637 5.3236970898 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.7071947272 3.9236993894 1.3857949662 Pt 7.9550822979 5.9357741356 1.8780476712 Pt 7.9467973323 3.9142269266 3.5148446300 Pt 10.3600910494 5.7619160134 3.1661792484 Pt 10.0383296774 3.8718513890 4.9986409668 Pt 7.8824721031 5.8207978462 5.4257370457 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9923914593 7.9001375017 1.2374029859 Pt 7.8995874195 10.9927282699 1.2416349534 Pt 7.9280361603 7.9305965330 3.5710228170 Pt 9.6434926978 9.6390129539 2.7250095916 Pt 9.9796448549 7.4694504367 5.0734757744 Pt 7.4741334808 9.9792725402 5.0759834872 H 2.3184571501 1.4695275285 9.7483210202 O 1.4365595683 1.7144075899 9.4290587793 H 1.1616642175 2.4132034531 10.0425510131 75 i = 14, E = -8672.0492079188 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8814011020 -1.2608029900 1.2090346845 Pt -1.2612417568 1.8762188628 1.2008212977 Pt 0.1743792349 0.1796038617 2.6598209359 Pt 1.8432259212 1.8445302467 3.6090651580 Pt 2.2767759956 -0.2057421991 5.1236677848 Pt -0.2008437808 2.2796188801 5.1337502286 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7997438288 3.8174470345 1.8922641001 Pt -0.9126422295 5.8257176943 1.4323016532 Pt -0.6011254493 3.9504095733 3.1824196296 Pt 1.8032231259 5.8409540130 3.5176119400 Pt 1.8868965636 3.9548939522 5.4615322600 Pt -0.2851279359 5.8536783061 5.0007283407 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9378319569 7.8206264457 1.8593842829 Pt 0.1832996136 9.5769811856 2.2211420517 Pt -1.3530899232 7.8463671588 3.6092004557 Pt 1.8922150388 11.1058427297 3.6203461938 Pt 2.0076632589 7.7573583115 5.3016063258 Pt 0.2377964422 9.5082373922 4.8338785000 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8236537418 -0.9124406302 1.4333478786 Pt 3.8181752857 1.7992715230 1.8946152347 Pt 3.9541745645 -0.6022892253 3.1857187865 Pt 5.8441573316 1.7950910365 3.5246094202 Pt 5.8470083904 -0.2740914264 4.9875343412 Pt 3.9576227088 1.8751417541 5.4550902859 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8525611112 3.8984792076 1.8845024645 Pt 3.8989745942 5.8534089818 1.8835585218 Pt 3.8708291456 3.8694387613 3.6707006745 Pt 5.8865611001 5.8858742920 3.6643387812 Pt 5.8715091788 3.8802118801 5.5750642201 Pt 3.8885095784 5.8763303954 5.5781415476 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9374160853 7.9570898687 1.8904087789 Pt 3.9264413569 10.6810801720 1.4115683421 Pt 3.9189503701 7.9533795846 3.5165306469 Pt 5.7793208474 10.3544873728 3.1856804218 Pt 5.8123406752 7.8731522817 5.4523745509 Pt 3.8800192040 10.0286376365 4.9993073672 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.5786349542 0.1837212133 2.2221973601 Pt 7.8229642314 1.9393217975 1.8597593937 Pt 7.8454851933 -1.3498834976 3.6136007193 Pt 11.1189094184 1.8814472169 3.6215062400 Pt 9.5070589388 0.2371254204 4.8329883622 Pt 7.7517645154 2.0000956090 5.3011830428 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.6831622228 3.9328515386 1.4094850171 Pt 7.9569595683 5.9408642028 1.8885307076 Pt 7.9532862430 3.9194263022 3.5134705616 Pt 10.3546332764 5.7741809732 3.1802659222 Pt 10.0386941642 3.8678160440 5.0042880232 Pt 7.8668599645 5.8147504073 5.4544719219 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0276634615 7.8683261641 1.1950103474 Pt 7.8710946115 11.0222918347 1.1980248480 Pt 7.9159901386 7.9183818069 3.5913202016 Pt 9.5901599877 9.5853557620 2.6345562482 Pt 9.9677638546 7.4766183038 5.1151924762 Pt 7.4769701077 9.9735810951 5.1161498960 H 2.3167410429 1.4708635949 9.7557877759 O 1.4336699550 1.7177384059 9.4393667787 H 1.1634782178 2.4141585751 10.0591485084 75 i = 15, E = -8672.0510094724 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8771353588 -1.2324805157 1.2190976785 Pt -1.2368832694 1.8794073539 1.2132690489 Pt 0.1662981327 0.1704781005 2.6816085294 Pt 1.8406316289 1.8432924050 3.6057483030 Pt 2.2624417379 -0.2072223937 5.1429147795 Pt -0.2036919373 2.2696963489 5.1516338991 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7900934098 3.8260756179 1.9034493543 Pt -0.8968582392 5.8247835810 1.4491414112 Pt -0.6236933176 3.9551782780 3.2140305049 Pt 1.7894729981 5.8504238862 3.5337946197 Pt 1.8896289136 3.9515835964 5.4707070661 Pt -0.2844585911 5.8421260782 5.0190101522 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9298044453 7.8271356315 1.8706492758 Pt 0.1611682718 9.5950441126 2.2159026427 Pt -1.3455576807 7.8352817772 3.6094719676 Pt 1.8992363141 11.1013494254 3.6194610138 Pt 2.0059306884 7.7470286050 5.3337931657 Pt 0.2395036292 9.5053243781 4.8381906459 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8268948768 -0.9013957154 1.4469084400 Pt 3.8265703315 1.7893470680 1.9044504130 Pt 3.9571086442 -0.6218509266 3.2107281079 Pt 5.8537156110 1.7907180243 3.5314836196 Pt 5.8392736627 -0.2836911363 5.0181324066 Pt 3.9499351600 1.8813275992 5.4653835812 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8562650779 3.8931908748 1.9012046010 Pt 3.8935467679 5.8555966729 1.8999378733 Pt 3.8702958740 3.8713014790 3.6786456544 Pt 5.8858188423 5.8842709567 3.6752992569 Pt 5.8707749590 3.8816247158 5.5905781555 Pt 3.8884279865 5.8750206128 5.5937400626 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9264029944 7.9643898171 1.9020108048 Pt 3.9278831378 10.6719501831 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7.8669156380 10.9947186914 1.2069235739 Pt 7.9227581127 7.9253304437 3.5928894716 Pt 9.5928578603 9.5875788457 2.6700780658 Pt 9.9669130575 7.4829251302 5.1280344827 Pt 7.4874090279 9.9706607664 5.1310542666 H 2.3151780913 1.4709880683 9.7555479636 O 1.4300220499 1.7161261315 9.4412749275 H 1.1629568170 2.4154365270 10.0610508518 75 i = 16, E = -8672.0519208477 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8769781277 -1.2428187348 1.2058416390 Pt -1.2462528167 1.8780975817 1.2007340246 Pt 0.1619532285 0.1667107820 2.6721285079 Pt 1.8345958085 1.8380451013 3.6054357734 Pt 2.2582278989 -0.2167190535 5.1409415701 Pt -0.2110753458 2.2668602528 5.1497159861 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7931025837 3.8268907683 1.9023957775 Pt -0.9024152214 5.8355865823 1.4391937936 Pt -0.6314256125 3.9624941394 3.2174471593 Pt 1.7834145124 5.8572790843 3.5354333392 Pt 1.8852777226 3.9446233146 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5.8685497404 3.8830395686 5.5826640235 Pt 3.8900361254 5.8743301579 5.5853318911 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9271702481 7.9616688694 1.9014078152 Pt 3.9228180556 10.6831986129 1.4174416809 Pt 3.8996571134 7.9718341421 3.5360834267 Pt 5.7653702102 10.3812426648 3.2161214132 Pt 5.8247390557 7.8772215489 5.4474940438 Pt 3.8927592158 10.0383350043 5.0207826763 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.5973694867 0.1584610677 2.2098863879 Pt 7.8353371882 1.9268095488 1.8668063166 Pt 7.8386435102 -1.3568655891 3.6144197173 Pt 11.1317790286 1.8909627559 3.6256419001 Pt 9.5008511556 0.2423527129 4.8234761082 Pt 7.7567077087 2.0132571441 5.3516977324 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.6863254506 3.9230714681 1.4121727297 Pt 7.9628007591 5.9290257371 1.9027999819 Pt 7.9723004547 3.9025297142 3.5321984633 Pt 10.3833781510 5.7623082221 3.2188200185 Pt 10.0473235459 3.8808597646 5.0244784731 Pt 7.8734193971 5.8233769183 5.4488291981 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0016010154 7.8686247033 1.1897165157 Pt 7.8688973284 11.0005904142 1.1949856978 Pt 7.9264630239 7.9310490091 3.5974378567 Pt 9.5952170351 9.5900976578 2.6656141709 Pt 9.9694469453 7.4850833673 5.1236320531 Pt 7.4873161443 9.9707972515 5.1264832820 H 2.3141216812 1.4706726070 9.7555364538 O 1.4295527070 1.7197863649 9.4416144110 H 1.1619595660 2.4162344476 10.0651706066 75 i = 17, E = -8672.0527037714 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8824366354 -1.2532813446 1.2044205789 Pt -1.2548027628 1.8820128302 1.1982860973 Pt 0.1645628503 0.1693851474 2.6575169414 Pt 1.8338369091 1.8371801166 3.6155372496 Pt 2.2564908412 -0.2101956977 5.1471465855 Pt -0.2056141218 2.2655103404 5.1579102377 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 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3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.6803832873 3.9338946409 1.4204813281 Pt 7.9594363194 5.9328094607 1.9042009776 Pt 7.9732321067 3.8993304491 3.5368512036 Pt 10.3906592912 5.7564295351 3.2253280497 Pt 10.0519062640 3.8732769816 5.0349653818 Pt 7.8794366470 5.8214984516 5.4455847751 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0099814285 7.8654817777 1.1894463992 Pt 7.8681737005 11.0068938958 1.1946456939 Pt 7.9178442827 7.9222987467 3.6067914752 Pt 9.5921970863 9.5868155429 2.6495047602 Pt 9.9666584083 7.4880882588 5.1300581266 Pt 7.4903981106 9.9696427128 5.1329100234 H 2.3128023677 1.4713731430 9.7565621430 O 1.4279971930 1.7220704226 9.4459102970 H 1.1620971181 2.4172448676 10.0702206625 75 i = 18, E = -8672.0532417975 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8857552897 -1.2584724549 1.2007466962 Pt -1.2616609900 1.8870639710 1.1940325550 Pt 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1.7940733153 1.9140636804 Pt 3.9644325082 -0.6445213006 3.2437583742 Pt 5.8677872106 1.7774031974 3.5438767315 Pt 5.8517641370 -0.2936014833 5.0444535828 Pt 3.9465802839 1.8642584629 5.4461881226 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8687756574 3.8829355325 1.8998737437 Pt 3.8832328825 5.8687742334 1.8993778219 Pt 3.8740203447 3.8732324394 3.6730874031 Pt 5.8801460978 5.8789495855 3.6718147040 Pt 5.8627024156 3.8826158604 5.5832724988 Pt 3.8920260781 5.8706800232 5.5866450367 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9237470107 7.9612895129 1.9118365429 Pt 3.9379785716 10.6691392731 1.4342371057 Pt 3.8950721986 7.9756587898 3.5433757294 Pt 5.7622089577 10.3965914121 3.2408805229 Pt 5.8158772067 7.8841533436 5.4453955287 Pt 3.8770286986 10.0473603614 5.0445708161 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.5973793190 0.1569210408 2.2099077902 Pt 7.8381971251 1.9284216451 1.8705078500 Pt 7.8484541265 -1.3626003822 3.6160514282 Pt 11.1351667065 1.8692573045 3.6281694955 Pt 9.4871713425 0.2563912080 4.8180009408 Pt 7.7551664698 2.0127529098 5.3724984363 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.6750520387 3.9405787323 1.4305035381 Pt 7.9626562772 5.9281114287 1.9124124151 Pt 7.9794438272 3.8970236640 3.5417198453 Pt 10.3963765329 5.7541332088 3.2436575312 Pt 10.0494966932 3.8617460734 5.0429606544 Pt 7.8833782049 5.8122208113 5.4457935539 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0178812582 7.8586381236 1.1881996115 Pt 7.8598037736 11.0152506370 1.1941649252 Pt 7.9141141929 7.9189152617 3.6091656519 Pt 9.5810400218 9.5739906234 2.6406707301 Pt 9.9656335865 7.4908615322 5.1385398800 Pt 7.4923226046 9.9710071486 5.1415168508 H 2.3109431368 1.4728338899 9.7584945169 O 1.4258686135 1.7245549912 9.4508927905 H 1.1629185526 2.4180431991 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7.7410831733 5.3889321271 Pt 0.2644062902 9.4741340861 4.8165115680 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8257862420 -0.8683326902 1.4845080447 Pt 3.8321718028 1.7852841651 1.9223506606 Pt 3.9643208703 -0.6554569711 3.2663499420 Pt 5.8766590813 1.7722838819 3.5439271413 Pt 5.8651825725 -0.2931503543 5.0626736006 Pt 3.9485531260 1.8597858558 5.4392365502 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8664803839 3.8819405463 1.9044643151 Pt 3.8827764924 5.8665158859 1.9051157674 Pt 3.8711641141 3.8717292834 3.6728763822 Pt 5.8834503025 5.8817132332 3.6732797995 Pt 5.8552490968 3.8837813857 5.5791697430 Pt 3.8953025406 5.8642869103 5.5819803311 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9149026343 7.9692325026 1.9182726605 Pt 3.9402106205 10.6691923834 1.4379454038 Pt 3.8869334895 7.9810965465 3.5444940568 Pt 5.7604374880 10.4060663531 3.2607020879 Pt 5.8084833415 7.8865767908 5.4423378669 Pt 3.8607381633 10.0508774951 5.0608783018 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.5980050319 0.1542817927 2.2027043521 Pt 7.8404659850 1.9285034803 1.8722628409 Pt 7.8596878666 -1.3712307358 3.6202263730 Pt 11.1487475979 1.8506187403 3.6320376360 Pt 9.4777041896 0.2637605615 4.8165941591 Pt 7.7486845265 2.0171026868 5.3879029544 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.6764046595 3.9442260695 1.4325563979 Pt 7.9710653532 5.9198642414 1.9192752540 Pt 7.9862872318 3.8906484435 3.5416372713 Pt 10.4083285325 5.7517281316 3.2670153249 Pt 10.0554710279 3.8427953411 5.0613189065 Pt 7.8846035582 5.8054811084 5.4425411314 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0260918966 7.8516387652 1.1777670405 Pt 7.8541636097 11.0220694763 1.1849514921 Pt 7.9142543153 7.9201321284 3.6086175100 Pt 9.5679012122 9.5590262392 2.6348579123 Pt 9.9677468456 7.4951395163 5.1457958206 Pt 7.4966503360 9.9735972803 5.1497197110 H 2.3087783128 1.4744400491 9.7611755080 O 1.4236638484 1.7295850088 9.4575360454 H 1.1635120224 2.4192944380 10.0902799910 75 i = 20, E = -8672.0543767981 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8867400108 -1.2638853648 1.1912299164 Pt -1.2647502890 1.8845344122 1.1830644136 Pt 0.1764995769 0.1812058518 2.6421913049 Pt 1.8294181173 1.8371354445 3.6165558700 Pt 2.2349650703 -0.2076680679 5.1757314920 Pt -0.2029348655 2.2479236704 5.1940450848 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7755627106 3.8362388782 1.9216842830 Pt -0.8409948602 5.8335472608 1.5086176640 Pt -0.6704049164 3.9607309863 3.2938859817 Pt 1.7646733485 5.8794655685 3.5440276347 Pt 1.8659490690 3.9536718504 5.4404157210 Pt -0.2933452558 5.8872987506 5.0813174210 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9242126298 7.8441728384 1.8661172878 Pt 0.1508700322 9.5969448789 2.1946025511 Pt -1.3838721035 7.8736001495 3.6186069768 Pt 1.8468523124 11.1446810275 3.6348913084 Pt 2.0185261310 7.7361800394 5.4076670362 Pt 0.2689167534 9.4666384378 4.8125196536 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8303202173 -0.8520854120 1.5005095586 Pt 3.8358865161 1.7748662151 1.9244026533 Pt 3.9653354197 -0.6715529742 3.2893098471 Pt 5.8844485368 1.7658440371 3.5432054825 Pt 5.8806461376 -0.2890383816 5.0804067633 Pt 3.9480905250 1.8542371800 5.4309551261 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8698414505 3.8799888313 1.9083979519 Pt 3.8813515577 5.8694539817 1.9080361212 Pt 3.8636092302 3.8646846833 3.6680003363 Pt 5.8884876078 5.8859897786 3.6680577761 Pt 5.8465960828 3.8859218613 5.5688738569 Pt 3.9001468357 5.8566906378 5.5715402656 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9106853083 7.9783634431 1.9176908470 Pt 3.9429990478 10.6734744246 1.4398167158 Pt 3.8773120124 7.9865883737 3.5462302026 Pt 5.7521335567 10.4160606663 3.2763444710 Pt 5.8039807702 7.8921905909 5.4373477108 Pt 3.8414841011 10.0509883515 5.0723392813 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.5991742556 0.1508929281 2.1948149980 Pt 7.8481484444 1.9253898230 1.8663094955 Pt 7.8724716074 -1.3780548354 3.6234605372 Pt 11.1638703659 1.8322940065 3.6355478591 Pt 9.4704227482 0.2687982952 4.8131322204 Pt 7.7444882023 2.0235965477 5.4055194012 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.6831409190 3.9500945852 1.4333258336 Pt 7.9808519293 5.9163167550 1.9188581087 Pt 7.9936379639 3.8814199741 3.5433889636 Pt 10.4171651330 5.7401385807 3.2837257675 Pt 10.0550845279 3.8194200571 5.0727676223 Pt 7.8898018821 5.8009353274 5.4375828897 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0243317830 7.8500636519 1.1735359473 Pt 7.8544815731 11.0180141766 1.1822466242 Pt 7.9097709337 7.9172044903 3.6109071395 Pt 9.5683711839 9.5571812318 2.6367442262 Pt 9.9622940647 7.5006908183 5.1504250016 Pt 7.5016837314 9.9699073117 5.1551983722 H 2.3075706226 1.4755061098 9.7636664621 O 1.4218123091 1.7354781710 9.4666160053 H 1.1634698749 2.4217504260 10.1032260662 75 i = 21, E = -8672.0552651837 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8804084722 -1.2625297095 1.1824336143 Pt -1.2692597849 1.8822780925 1.1750635212 Pt 0.1733538881 0.1765327185 2.6441334334 Pt 1.8285944287 1.8397518997 3.6168794992 Pt 2.2180551175 -0.2002561381 5.1846671963 Pt -0.1952369541 2.2341484252 5.2085221495 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7634768447 3.8374929433 1.9192315161 Pt -0.8096041174 5.8424667958 1.5347049134 Pt -0.6899567900 3.9656048616 3.3238384096 Pt 1.7549025078 5.8884272684 3.5326823919 Pt 1.8562341122 3.9564700006 5.4278300978 Pt -0.2856430020 5.9167280203 5.0910834437 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9260628254 7.8480360206 1.8554811913 Pt 0.1502114109 9.5978258942 2.1941791427 Pt -1.4097166613 7.8959780951 3.6202629666 Pt 1.8103858883 11.1694247168 3.6390127712 Pt 2.0203788529 7.7301283502 5.4212429001 Pt 0.2762975513 9.4578762334 4.8042325017 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8420954751 -0.8282202543 1.5212829009 Pt 3.8360973541 1.7622026627 1.9226302503 Pt 3.9711527122 -0.6922031300 3.3183254555 Pt 5.8936977349 1.7593446683 3.5302415790 Pt 5.9090614335 -0.2810335475 5.0924288106 Pt 3.9490736728 1.8433987670 5.4165070305 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8731948107 3.8782868860 1.9068624621 Pt 3.8797829026 5.8717098818 1.9061334885 Pt 3.8519837996 3.8541465592 3.6533499415 Pt 5.8967829811 5.8936141295 3.6562676791 Pt 5.8347777464 3.8871762449 5.5451003620 Pt 3.9053544286 5.8461271232 5.5469243535 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9092815154 7.9878920968 1.9156722751 Pt 3.9521603042 10.6904103482 1.4336761938 Pt 3.8677105511 7.9934904925 3.5392109275 Pt 5.7367730824 10.4256309217 3.2935956432 Pt 5.7972377003 7.8996753372 5.4262236793 Pt 3.8057957480 10.0491000180 5.0721392818 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6002098543 0.1496029632 2.1939794233 Pt 7.8533252850 1.9283631245 1.8555815967 Pt 7.8936573123 -1.4012472368 3.6262647719 Pt 11.1920916206 1.7913019820 3.6393668257 Pt 9.4632812705 0.2765008582 4.8053751281 Pt 7.7422057945 2.0280941003 5.4180666459 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.7085172769 3.9566380415 1.4232360056 Pt 7.9920686889 5.9157571865 1.9183674354 Pt 8.0038164720 3.8734624087 3.5361823880 Pt 10.4253557288 5.7210390289 3.3047736697 Pt 10.0527370582 3.7777140203 5.0728931072 Pt 7.8964909679 5.7933943049 5.4273827855 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0293093990 7.8480450787 1.1593190022 Pt 7.8510544738 11.0240309022 1.1731192556 Pt 7.9024998719 7.9135147304 3.6103723362 Pt 9.5691215281 9.5519950563 2.6285659089 Pt 9.9525680721 7.5026527429 5.1474419635 Pt 7.5040778248 9.9606809265 5.1548453604 H 2.3055257947 1.4785499902 9.7703541265 O 1.4187931505 1.7471635663 9.4844016908 H 1.1650793387 2.4265471726 10.1289879731 75 i = 22, E = -8672.0570121718 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8797975477 -1.2548975328 1.1778620542 Pt -1.2597242039 1.8725765413 1.1698505369 Pt 0.1615197986 0.1655557953 2.6701516157 Pt 1.8260624704 1.8436818849 3.6099740314 Pt 2.1836277182 -0.1776520682 5.2012627166 Pt -0.1723219619 2.2054930810 5.2368834481 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7444906613 3.8379117777 1.9170677860 Pt -0.7394243859 5.8645276580 1.5970126170 Pt -0.7186520972 3.9677896019 3.3840834956 Pt 1.7395969620 5.8989780284 3.5092765983 Pt 1.8472062458 3.9628264434 5.4141158101 Pt -0.2720787012 5.9739311494 5.1116491357 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9268380408 7.8607812643 1.8393909091 Pt 0.1493075676 9.5996147483 2.1967019599 Pt -1.4527425720 7.9378058769 3.6153416392 Pt 1.7431225761 11.2164139053 3.6389731152 Pt 2.0227096046 7.7237879928 5.4318649061 Pt 0.2790415816 9.4440160508 4.8026240078 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8593531535 -0.7684663362 1.5740545093 Pt 3.8340812293 1.7438746351 1.9219455743 Pt 3.9781406583 -0.7253786502 3.3764933476 Pt 5.9047937182 1.7499793883 3.5048076509 Pt 5.9646406745 -0.2641160889 5.1132475700 Pt 3.9537848621 1.8290709364 5.3988065172 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8749835070 3.8778214905 1.8993679753 Pt 3.8786470977 5.8722731604 1.8999881552 Pt 3.8332916531 3.8353384413 3.6253690396 Pt 5.9090050771 5.9045999585 3.6356954454 Pt 5.8170261208 3.8827554832 5.5043848155 Pt 3.9082145591 5.8307053043 5.5034748259 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9054424014 8.0018266307 1.9147628586 Pt 3.9666710264 10.7303896205 1.4197777192 Pt 3.8585107900 8.0025016495 3.5245392880 Pt 5.7077897324 10.4335490207 3.3226622757 Pt 5.7828617850 7.9022544452 5.4155869383 Pt 3.7348349288 10.0458297452 5.0655353565 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6014581356 0.1468368774 2.1957782567 Pt 7.8690292601 1.9316634245 1.8400168561 Pt 7.9328493718 -1.4374357946 3.6269179650 Pt 11.2487958539 1.7156786597 3.6400688698 Pt 9.4520338945 0.2766504557 4.8050951880 Pt 7.7381456799 2.0321460980 5.4273175812 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.7570248922 3.9811986637 1.4025312922 Pt 8.0076303175 5.9150872761 1.9192245545 Pt 8.0138271249 3.8669434374 3.5185904633 Pt 10.4312900939 5.6825756772 3.3347960099 Pt 10.0540147154 3.6935481857 5.0734862137 Pt 7.8960860221 5.7795448927 5.4182473293 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0360295876 7.8346016578 1.1384985372 Pt 7.8430258262 11.0240999248 1.1618925846 Pt 7.8935331633 7.9107538837 3.5986262946 Pt 9.5727774117 9.5448784289 2.6312332087 Pt 9.9278372452 7.5033438250 5.1439400237 Pt 7.5059491021 9.9383440365 5.1569410152 H 2.2994048079 1.4878638275 9.7865325626 O 1.4106648005 1.7661277696 9.5167102124 H 1.1728631627 2.4330872617 10.1815975072 75 i = 23, E = -8672.0578984813 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8664194805 -1.2356680897 1.1552220067 Pt -1.2521657473 1.8581249146 1.1487873348 Pt 0.1425747829 0.1405648357 2.7150830492 Pt 1.8201298557 1.8526009229 3.5843469865 Pt 2.1025109280 -0.1197952504 5.2366150990 Pt -0.1150802802 2.1402939804 5.3007519498 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7111968829 3.8338146506 1.9076627631 Pt -0.5606551208 5.9156260599 1.7472619700 Pt -0.7759175914 3.9632456589 3.5157468231 Pt 1.7057465485 5.9109262137 3.4536570254 Pt 1.8352667630 3.9821209749 5.3860995284 Pt -0.2450930795 6.0999301619 5.1382220932 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9338454987 7.8905511652 1.8099101495 Pt 0.1515771627 9.6013870232 2.2141846013 Pt -1.5618479051 8.0258251519 3.5995908135 Pt 1.5854978902 11.3362909522 3.6416611243 Pt 2.0289089602 7.7159170165 5.4185579659 Pt 0.2590335692 9.4314581718 4.8000268551 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9023689282 -0.6170569037 1.7017252378 Pt 3.8221648778 1.7106202712 1.9146721816 Pt 3.9832793913 -0.7891675325 3.5040444978 Pt 5.9201738312 1.7268518532 3.4476941281 Pt 6.0870183890 -0.2240936040 5.1392867771 Pt 3.9680517783 1.8050414152 5.3636781515 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8725971563 3.8796903988 1.8813161459 Pt 3.8763209044 5.8692091701 1.8841261918 Pt 3.7997424278 3.7995824948 3.5715872704 Pt 5.9256775164 5.9182385323 3.5948711009 Pt 5.7884736736 3.8591823475 5.4213941253 Pt 3.8967207153 5.8069301564 5.4145104713 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9015514954 8.0246064519 1.9022407395 Pt 4.0134372696 10.8359263743 1.3685107888 Pt 3.8510614278 8.0124568967 3.4828140644 Pt 5.6482417520 10.4357179283 3.3653448777 Pt 5.7494997062 7.8901383121 5.3972101679 Pt 3.5680600034 10.0473163659 5.0266967404 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6009060227 0.1467654297 2.2137067179 Pt 7.9063650285 1.9437151247 1.8115618085 Pt 8.0158347460 -1.5363511961 3.6241203754 Pt 11.3889728509 1.5386334520 3.6465474879 Pt 9.4477011616 0.2572989255 4.8067598904 Pt 7.7401876165 2.0414020538 5.4094960558 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.8971987963 4.0350802891 1.3363499804 Pt 8.0362967495 5.9203920613 1.9111678666 Pt 8.0320642725 3.8662562448 3.4788258327 Pt 10.4263671280 5.6008203861 3.3837243405 Pt 10.0591205747 3.4952425211 5.0385924032 Pt 7.8798707129 5.7435076755 5.4038207776 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0656125207 7.8042140689 1.0764106458 Pt 7.8208724618 11.0410455757 1.1229759442 Pt 7.8758642710 7.9074336700 3.5664290461 Pt 9.5808305899 9.5249821958 2.6126341808 Pt 9.8756654635 7.4896765466 5.1316008591 Pt 7.4990361010 9.8930874874 5.1584609127 H 2.2888870373 1.5074834994 9.8255757505 O 1.3916211224 1.8092803860 9.6078009742 H 1.1890920303 2.4519736819 10.3069011800 75 i = 24, E = -8672.0628307963 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8689561656 -1.2390444142 1.1755140253 Pt -1.2461652166 1.8522351017 1.1696827478 Pt 0.1397913828 0.1377277531 2.7148600768 Pt 1.8207015858 1.8487477723 3.5801485651 Pt 2.1313465678 -0.1324493510 5.2205464225 Pt -0.1281099420 2.1668719489 5.2692350671 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7353613417 3.8289748348 1.9030561613 Pt -0.6286635461 5.9010666710 1.6826217094 Pt -0.7474492839 3.9639654915 3.4526442119 Pt 1.7280631178 5.8952047721 3.4737074648 Pt 1.8465826218 3.9753038749 5.4025431549 Pt -0.2522080506 6.0474693325 5.0988675941 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9321450490 7.8770637693 1.8265070959 Pt 0.1519174850 9.6048071481 2.2204889544 Pt -1.5206386629 7.9819256655 3.5926719744 Pt 1.6498845871 11.2870048471 3.6350508772 Pt 2.0218810440 7.7365997475 5.3811733161 Pt 0.2400991568 9.4557248149 4.8068294475 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8879210317 -0.6675931103 1.6487321624 Pt 3.8203001829 1.7356016507 1.9086619333 Pt 3.9785044854 -0.7590156215 3.4431466793 Pt 5.9026968289 1.7419990355 3.4649371770 Pt 6.0369195125 -0.2357793717 5.1024376850 Pt 3.9644346091 1.8215012303 5.3832107895 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8689477514 3.8816931972 1.8793559195 Pt 3.8782554747 5.8659240919 1.8823831900 Pt 3.8190086301 3.8175270280 3.5920140709 Pt 5.9133863738 5.9073036601 3.6089515692 Pt 5.8120296189 3.8556115982 5.4536915344 Pt 3.8851229587 5.8263737613 5.4483086341 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9103222530 8.0050496451 1.8974598229 Pt 3.9936114373 10.8272078563 1.3656180861 Pt 3.8730413482 7.9989899235 3.4898235333 Pt 5.6718538705 10.4108215138 3.3202691823 Pt 5.7647637098 7.8792329706 5.4075856117 Pt 3.6244624955 10.0513918691 4.9968573423 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6041505483 0.1483270874 2.2214952735 Pt 7.8913242618 1.9422900527 1.8279578369 Pt 7.9779719743 -1.5008909528 3.6142322276 Pt 11.3320655809 1.6100967839 3.6422730440 Pt 9.4714188317 0.2402993090 4.8127075732 Pt 7.7516576468 2.0315985197 5.3740241591 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.8728734867 4.0210627144 1.3425291094 Pt 8.0147089595 5.9270858400 1.9047649999 Pt 8.0128913944 3.8846572020 3.4873188272 Pt 10.4050118932 5.6304015356 3.3318916171 Pt 10.0662004597 3.5626968544 5.0039369020 Pt 7.8697487844 5.7591043178 5.4135844448 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0545586206 7.8204897460 1.1082125174 Pt 7.8346923443 11.0328839683 1.1445050088 Pt 7.8897162669 7.9153932821 3.5658764416 Pt 9.5930420299 9.5482620701 2.6333821112 Pt 9.8922662045 7.4776158716 5.1234150496 Pt 7.4876527248 9.9066674368 5.1463314002 H 2.2935477482 1.5035518326 9.8153626666 O 1.3986275137 1.7915005360 9.5787228596 H 1.1870949385 2.4452425855 10.2639221770 75 i = 25, E = -8672.0699043398 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8620567534 -1.2375992603 1.1854573691 Pt -1.2409570928 1.8367368484 1.1848375237 Pt 0.1302003673 0.1186024279 2.7288760366 Pt 1.8112123906 1.8432789015 3.5635650681 Pt 2.1075121633 -0.1082870435 5.2406514285 Pt -0.1054820320 2.1541244060 5.2938425050 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7431628953 3.8274618767 1.9051683582 Pt -0.5761061622 5.9141634476 1.7265396228 Pt -0.7772829454 3.9589673217 3.4952546115 Pt 1.7275316964 5.8920695558 3.4781317109 Pt 1.8457467547 3.9770212097 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5.8205808720 3.8307525316 5.4560792556 Pt 3.8581264940 5.8333085202 5.4480411720 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9143351615 7.9963157810 1.8883737735 Pt 4.0130524040 10.8877662700 1.3277374818 Pt 3.8937065034 7.9947704780 3.4828490134 Pt 5.6618977406 10.3893790764 3.3027876311 Pt 5.7571006063 7.8612232216 5.4091075764 Pt 3.5737117868 10.0781199933 4.9246049650 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6142768265 0.1422458148 2.2329501222 Pt 7.9038810662 1.9461717623 1.8400798272 Pt 7.9787490248 -1.5184061361 3.6037785415 Pt 11.3492175040 1.5852344419 3.6492547160 Pt 9.4963571360 0.2011172038 4.8286072350 Pt 7.7895151187 2.0216529062 5.3297939212 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9357442090 4.0484649642 1.3059897939 Pt 8.0085009526 5.9333049674 1.8980261242 Pt 8.0069079273 3.9061487769 3.4831392498 Pt 10.3850558831 5.6120126053 3.3117141491 Pt 10.1032311982 3.5031082418 4.9239529996 Pt 7.8464547981 5.7509496877 5.4184988429 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0629695831 7.8112423450 1.1022435799 Pt 7.8260659926 11.0389477527 1.1384168948 Pt 7.8956376951 7.9247772346 3.5535424606 Pt 9.6064595604 9.5599299449 2.6394720977 Pt 9.8862128017 7.4446576291 5.1176045051 Pt 7.4608737378 9.9019493587 5.1459845481 H 2.2945316707 1.5128887917 9.8328842191 O 1.3980549952 1.8029855187 9.6048696121 H 1.1963835739 2.4495674676 10.3064948013 75 i = 26, E = -8672.0650036560 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8132091088 -1.2569750638 1.1867325808 Pt -1.2691267077 1.8030171174 1.2076484663 Pt 0.1045965893 0.0596580801 2.7317030231 Pt 1.7663904491 1.8135314954 3.5174918632 Pt 2.0230647122 -0.0483736453 5.3356154369 Pt -0.0459889361 2.1186385795 5.3926267889 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7567596183 3.8377377401 1.9254913595 Pt -0.3971265811 5.9483189398 1.8801941438 Pt -0.9151009589 3.9676939997 3.6680708555 Pt 1.7288911587 5.9119436543 3.5033496862 Pt 1.8293083142 3.9741354392 5.3874553295 Pt -0.2656955398 6.1332671911 5.0698164488 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9365733754 7.9224167835 1.8655620099 Pt 0.1113360639 9.6633241682 2.2345268423 Pt -1.5947408645 7.9337287949 3.5374902420 Pt 1.5133090197 11.3619868647 3.6479780344 Pt 2.0164782147 7.9544231085 5.2305986907 Pt 0.0271900509 9.5390031676 4.8332059561 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9250665041 -0.4037406894 1.8746411810 Pt 3.8166174677 1.7534297393 1.9311333116 Pt 3.9757169823 -0.9324752304 3.6729192135 Pt 5.9188660671 1.7136760978 3.4603580624 Pt 6.1213831648 -0.2297941059 5.0761790656 Pt 3.9742674118 1.7776578594 5.3580714097 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8513978079 3.8573708654 1.8800661361 Pt 3.8554729355 5.8450745997 1.8816711597 Pt 3.8510828207 3.8390293282 3.6253677342 Pt 5.8616770068 5.8595221866 3.6169272506 Pt 5.8464271471 3.7442879215 5.4675560148 Pt 3.7681204096 5.8567784877 5.4524884071 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9244300172 7.9765241340 1.8654576337 Pt 4.1016516238 11.0897470444 1.1979147893 Pt 3.9340947991 8.0091713482 3.4755190925 Pt 5.6188039818 10.3384430889 3.2255480487 Pt 5.7447223715 7.8085503075 5.4007712244 Pt 3.4249115143 10.1968610251 4.7080560492 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6532470936 0.1112946400 2.2497242382 Pt 7.9500352831 1.9574652850 1.8666006612 Pt 7.9684210324 -1.5767283710 3.5798364018 Pt 11.4491308177 1.4417864594 3.6589632538 Pt 9.5595460088 0.0519539125 4.8616807725 Pt 7.9217570261 1.9940282271 5.2158439374 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.1548479211 4.1090255891 1.1738844895 Pt 7.9986052131 5.9469498154 1.8863928996 Pt 8.0267016420 3.9489456950 3.4980894786 Pt 10.3296566078 5.5464540996 3.2312523613 Pt 10.2418923574 3.3251446071 4.6739529996 Pt 7.7722443473 5.7381669424 5.4251825551 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0977497660 7.7869234052 1.0409848723 Pt 7.7883883138 11.0846839151 1.0828783652 Pt 7.9210211313 7.9641178359 3.5270204050 Pt 9.6389773347 9.5908587413 2.6182900483 Pt 9.8764579884 7.3144453280 5.1144015663 Pt 7.3535174523 9.9047271052 5.1581779670 H 2.2944285677 1.5440566479 9.8921142177 O 1.3857095833 1.8477396372 9.7261263290 H 1.2226027535 2.4766762587 10.4506806803 75 i = 27, E = -8672.0787652643 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8360336460 -1.2717354272 1.1708805936 Pt -1.2828698629 1.8354513103 1.1847570307 Pt 0.1356736848 0.1028343720 2.6798256766 Pt 1.7836146717 1.8134711434 3.5581606314 Pt 2.1007183853 -0.1077998825 5.2792829460 Pt -0.1044816289 2.1653059468 5.3366111859 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7654585954 3.8427993861 1.9297484871 Pt -0.5469094873 5.9071834354 1.7593688157 Pt -0.8253139911 3.9742299692 3.5454035514 Pt 1.7447983070 5.9095124888 3.5275273083 Pt 1.8413636834 3.9632146588 5.4000193407 Pt -0.2900808048 6.0458344320 5.0851711673 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9319017176 7.9024145392 1.8657233484 Pt 0.1236240828 9.6347895098 2.2051558788 Pt -1.5263704817 7.8940044146 3.5681616289 Pt 1.6061267297 11.3076415664 3.6464738249 Pt 2.0074913091 7.9042692712 5.2971946857 Pt 0.0978509439 9.5146724149 4.8273672529 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8961611888 -0.5649180776 1.7539154814 Pt 3.8272935168 1.7616805490 1.9344431458 Pt 3.9776188305 -0.8363847605 3.5528411972 Pt 5.9142878034 1.7397030690 3.5008849301 Pt 6.0369783994 -0.2628575642 5.0810518461 Pt 3.9620369546 1.7926882249 5.3770911970 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8609524077 3.8598835621 1.8947577773 Pt 3.8608501694 5.8559150296 1.8952940978 Pt 3.8585556855 3.8515110183 3.6502290328 Pt 5.8647708570 5.8628908567 3.6394131493 Pt 5.8511044908 3.7875800075 5.5101417307 Pt 3.8089317717 5.8626107123 5.5026649202 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9213086185 7.9739665662 1.8851671784 Pt 4.0581087524 10.9455846471 1.2784116081 Pt 3.9118363685 8.0079767304 3.5020733049 Pt 5.6648596753 10.3699459417 3.2243613424 Pt 5.7699854443 7.8361779527 5.4120226969 Pt 3.5853454529 10.1358477967 4.8407268374 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6317587840 0.1220182523 2.2176059672 Pt 7.9206938524 1.9465228870 1.8661579888 Pt 7.9147888639 -1.5096388639 3.5964880280 Pt 11.3674325621 1.5476262000 3.6475377613 Pt 9.5273434350 0.1136889835 4.8479947040 Pt 7.8870467456 1.9926205054 5.2868797260 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9812375482 4.0580543009 1.2565388914 Pt 7.9882142425 5.9357414610 1.9000521430 Pt 8.0224467687 3.9245786405 3.5194086823 Pt 10.3643352506 5.6145497641 3.2343508776 Pt 10.1530950562 3.5143793830 4.8152827545 Pt 7.8103431971 5.7633883269 5.4300477919 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0749897260 7.8060801168 1.0696810998 Pt 7.8039234356 11.0718430039 1.1010465855 Pt 7.9212344395 7.9524839877 3.5650330766 Pt 9.6099524739 9.5758942474 2.6043779975 Pt 9.9158662466 7.3604450984 5.1306192292 Pt 7.3871026413 9.9386524315 5.1612408187 H 2.3014972597 1.5215360260 9.8525673657 O 1.4020497006 1.8120966420 9.6387393466 H 1.2034072780 2.4564202659 10.3422262771 75 i = 28, E = -8672.0812810708 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8366378426 -1.2714894347 1.1692738571 Pt -1.2572943304 1.7986578255 1.1757575474 Pt 0.1046807201 0.0811822701 2.7262630288 Pt 1.7851287199 1.8247205327 3.5473242088 Pt 2.0778053229 -0.0983488272 5.2644275642 Pt -0.0949049902 2.1438733938 5.3272530555 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7402819734 3.8405068611 1.9210457034 Pt -0.5009745765 5.9212757176 1.7865393409 Pt -0.8500445643 3.9756436243 3.5715920236 Pt 1.7282152661 5.9277818127 3.5124180411 Pt 1.8334878858 3.9711753134 5.3864085127 Pt -0.2634081166 6.0859164770 5.0933405783 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9397205611 7.9053957730 1.8450441827 Pt 0.1159896615 9.6376755656 2.2117441150 Pt -1.5481794332 7.9236356255 3.5458144614 Pt 1.5323280887 11.3474902407 3.6419539211 Pt 2.0091376564 7.8969397658 5.3036604359 Pt 0.0946200801 9.5083870952 4.7952461036 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9159481838 -0.5274164525 1.7714459692 Pt 3.8256218713 1.7388886403 1.9251958470 Pt 3.9820352360 -0.8632786440 3.5797046288 Pt 5.9297927191 1.7336917713 3.4819761228 Pt 6.0802314521 -0.2396831763 5.0967421000 Pt 3.9680295266 1.7784888496 5.3568797110 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8645967041 3.8659455849 1.8800116005 Pt 3.8625595801 5.8591894003 1.8848749093 Pt 3.8340107742 3.8241120454 3.6142268402 Pt 5.8816401160 5.8776025635 3.6148824748 Pt 5.8479564156 3.7788554637 5.4584121048 Pt 3.8065186907 5.8607600202 5.4511173161 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9227071433 7.9902850953 1.8849230011 Pt 4.0364345919 11.0040513866 1.2583839045 Pt 3.9056983205 8.0136474032 3.4751836210 Pt 5.6462929750 10.3658362762 3.2244277735 Pt 5.7587415369 7.8411738323 5.3990061659 Pt 3.5398899240 10.1196114955 4.8412499978 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6347736065 0.1113102037 2.2237477529 Pt 7.9291967930 1.9598274238 1.8490148529 Pt 7.9369716383 -1.5267838657 3.5776567317 Pt 11.4063352436 1.4720248391 3.6566765819 Pt 9.5326034844 0.1041670986 4.8138021500 Pt 7.8802556767 2.0029761696 5.2933251295 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0278148951 4.0752568940 1.2327851016 Pt 8.0016740412 5.9421169704 1.8968293517 Pt 8.0170440996 3.9215294444 3.4858654924 Pt 10.3625044374 5.5897421450 3.2311076865 Pt 10.1469375020 3.4526194007 4.8270919602 Pt 7.8130582456 5.7532255407 5.4183814467 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0723552126 7.8188620816 1.0752569032 Pt 7.8219732071 11.0630329261 1.1137978031 Pt 7.9188522955 7.9511826537 3.5564628085 Pt 9.6331336196 9.5910651131 2.6249540123 Pt 9.8937283231 7.3424285743 5.1080224773 Pt 7.3694319243 9.9191424244 5.1387669429 H 2.2975559346 1.5290341038 9.8641125228 O 1.3951263183 1.8237243541 9.6688434717 H 1.2092381946 2.4625387704 10.3768173806 75 i = 29, E = -8672.0857928513 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8104563998 -1.2781377918 1.1630118802 Pt -1.2824103027 1.8085727253 1.1779365406 Pt 0.1039182362 0.0715955999 2.7075049944 Pt 1.7804685095 1.8209647643 3.5458455547 Pt 2.0720812825 -0.1008584377 5.2812103693 Pt -0.0977132235 2.1480266872 5.3336048357 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7427244947 3.8498158000 1.9345899169 Pt -0.4840476108 5.9176168094 1.7980233809 Pt -0.8822800267 3.9711871610 3.5987460857 Pt 1.7339579501 5.9356113962 3.5241465575 Pt 1.8314561597 3.9700334567 5.3899311778 Pt -0.2700931804 6.0795217078 5.1003569871 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9375313106 7.9155208008 1.8513810783 Pt 0.1107470240 9.6373958990 2.1967091847 Pt -1.5404029944 7.8898970462 3.5422959494 Pt 1.5191128879 11.3451897478 3.6498057315 Pt 2.0065776029 7.9433535703 5.2902404710 Pt 0.0529418500 9.5201726208 4.7946964639 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9144258478 -0.5000177525 1.7954754061 Pt 3.8291053683 1.7406403017 1.9371939705 Pt 3.9829685687 -0.8940470093 3.6117754758 Pt 5.9388039659 1.7344605078 3.4898075122 Pt 6.0778342064 -0.2401225353 5.0966461601 Pt 3.9769465728 1.7657670421 5.3564660532 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8628092936 3.8632974895 1.8846059737 Pt 3.8592276875 5.8576123069 1.8897696252 Pt 3.8414968679 3.8279543966 3.6306051127 Pt 5.8691343932 5.8692697220 3.6244117334 Pt 5.8641739263 3.7569311574 5.4714577208 Pt 3.7852926847 5.8773294355 5.4650039496 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9343142594 7.9826456245 1.8840657482 Pt 4.0640454735 11.0185515854 1.2398681445 Pt 3.9158385343 8.0151282104 3.4761126705 Pt 5.6477175947 10.3520035224 3.1858705336 Pt 5.7580953971 7.8299576985 5.4045243294 Pt 3.5351083631 10.1579794605 4.8091125924 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6339471613 0.1064325792 2.2111201961 Pt 7.9396155186 1.9562923585 1.8557140048 Pt 7.9073092431 -1.5139424113 3.5751290617 Pt 11.4126085511 1.4600659366 3.6668663797 Pt 9.5396834590 0.0633436168 4.8176334073 Pt 7.9147041606 1.9875201987 5.2797685570 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0491850304 4.0659837471 1.2160815192 Pt 7.9941345746 5.9517321652 1.8979790405 Pt 8.0147680319 3.9345660726 3.4919771850 Pt 10.3475927987 5.5941772707 3.1919998395 Pt 10.1875394024 3.4441343053 4.7894609781 Pt 7.7931186080 5.7553811545 5.4297626853 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0771437480 7.8153220768 1.0680136893 Pt 7.8182152366 11.0682739711 1.1034401808 Pt 7.9289091043 7.9616848078 3.5675762913 Pt 9.6343494236 9.5990227707 2.6134637894 Pt 9.9066275581 7.2961227695 5.1063181657 Pt 7.3256346126 9.9344797850 5.1355540394 H 2.2991132609 1.5352642631 9.8761222973 O 1.3946147896 1.8272814885 9.6881345355 H 1.2151003555 2.4653236372 10.3995874822 75 i = 30, E = -8672.0867844396 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8090511578 -1.3141584567 1.1531776578 Pt -1.3051238544 1.7926278416 1.1779885183 Pt 0.1087683470 0.0754943794 2.6850982806 Pt 1.7717335604 1.8109080786 3.5453472606 Pt 2.0660187096 -0.0975134137 5.2794165075 Pt -0.0922440009 2.1473932542 5.3385960063 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7432080894 3.8579052791 1.9464976881 Pt -0.4689728119 5.9079145576 1.8053486247 Pt -0.9164233697 3.9802239552 3.6179145685 Pt 1.7427089748 5.9487866758 3.5282645647 Pt 1.8271854475 3.9719100952 5.3891986682 Pt -0.2778124593 6.0632670814 5.1051019215 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9401751572 7.9203439779 1.8546146653 Pt 0.1039705338 9.6367218030 2.1808844593 Pt -1.5311318326 7.8510363724 3.5498530740 Pt 1.5018447234 11.3531828185 3.6594520661 Pt 2.0000801094 7.9894871099 5.2711752390 Pt 0.0056584442 9.5254268389 4.7861480759 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9098020277 -0.4758576888 1.8145598645 Pt 3.8338112108 1.7413922235 1.9472675115 Pt 3.9872967047 -0.9236068880 3.6437092035 Pt 5.9508434473 1.7388960775 3.4855975184 Pt 6.0681990341 -0.2381731832 5.0988223476 Pt 3.9866213443 1.7429281558 5.3524630979 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8599005275 3.8600363084 1.8907509470 Pt 3.8534278728 5.8546083624 1.8945643617 Pt 3.8474037048 3.8318129674 3.6517555814 Pt 5.8554664175 5.8577181002 3.6321868334 Pt 5.8847053971 3.7301194030 5.4794459764 Pt 3.7594966293 5.8980691380 5.4756883445 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9477804251 7.9741575170 1.8803897256 Pt 4.0642213728 11.0509442316 1.2077256644 Pt 3.9222998520 8.0244432236 3.4811075936 Pt 5.6450221248 10.3383293526 3.1330510320 Pt 5.7616571902 7.8117688749 5.4123784518 Pt 3.5326409675 10.1993835214 4.7738777212 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6380251647 0.1022111505 2.1986012101 Pt 7.9477171890 1.9624383469 1.8577383676 Pt 7.8650909430 -1.5065114982 3.5766640855 Pt 11.4194270640 1.4300988493 3.6690440372 Pt 9.5462054071 0.0200987324 4.8150025528 Pt 7.9556253743 1.9686718672 5.2583897144 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0584689775 4.0727713607 1.1856121767 Pt 7.9837464511 5.9657823139 1.8949355691 Pt 8.0283921152 3.9378432863 3.5169513674 Pt 10.3342382422 5.5896264137 3.1398336482 Pt 10.2111045412 3.4500777259 4.7432609250 Pt 7.7637999423 5.7639903720 5.4430143154 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0845436987 7.8123177378 1.0525792821 Pt 7.8130334977 11.0821056838 1.0872481604 Pt 7.9467582678 7.9753758093 3.5861174891 Pt 9.6303901240 9.6012807317 2.5927741302 Pt 9.9289446974 7.2345034288 5.1007093090 Pt 7.2701481705 9.9636311824 5.1283668145 H 2.3014033922 1.5398602329 9.8890564343 O 1.3927475943 1.8341049017 9.7155312777 H 1.2188245126 2.4716225503 10.4277140279 75 i = 31, E = -8672.0887664757 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7932497514 -1.3095333833 1.1602573469 Pt -1.3086075132 1.7928568042 1.1843017499 Pt 0.1093856124 0.0756311130 2.6929153839 Pt 1.7791695659 1.8187821594 3.5428263879 Pt 2.0643971711 -0.0989083470 5.2751814699 Pt -0.0947901347 2.1473212199 5.3241992139 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7388493900 3.8595119008 1.9429157386 Pt -0.4756326481 5.9047914242 1.7959101669 Pt -0.9101415401 3.9810960430 3.6019934182 Pt 1.7392646150 5.9525209019 3.5242935821 Pt 1.8260315057 3.9753977733 5.3901132627 Pt -0.2684565442 6.0502609199 5.1131522132 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9454732687 7.9208243330 1.8460344586 Pt 0.1036410050 9.6363338115 2.1771025874 Pt -1.5220899998 7.8437307739 3.5500752727 Pt 1.4969568337 11.3446607695 3.6545175402 Pt 1.9965283987 7.9844797998 5.2727005358 Pt 0.0089744192 9.5211394858 4.7799234556 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9061832721 -0.4826313941 1.8031038394 Pt 3.8336471510 1.7383010972 1.9421495442 Pt 3.9944554887 -0.9134320529 3.6271012681 Pt 5.9556181835 1.7386843253 3.4811291196 Pt 6.0593551968 -0.2260295060 5.1121802645 Pt 3.9930240483 1.7400495441 5.3513534988 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8602719395 3.8624484063 1.8871349366 Pt 3.8546370502 5.8546124269 1.8927687542 Pt 3.8440691284 3.8276842597 3.6472181048 Pt 5.8554494636 5.8620451916 3.6291734583 Pt 5.8912961252 3.7263333186 5.4687483908 Pt 3.7588209545 5.9040165568 5.4666428846 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9513369871 7.9715254910 1.8827300914 Pt 4.0650975874 11.0427681013 1.2025969879 Pt 3.9207114641 8.0264330173 3.4811212652 Pt 5.6371408663 10.3422369133 3.1188757436 Pt 5.7656486032 7.8095843730 5.4185962782 Pt 3.5378616883 10.1823505424 4.7881149673 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6356030340 0.1019612690 2.1919630514 Pt 7.9493422784 1.9672652842 1.8512479235 Pt 7.8570106901 -1.4931702374 3.5721368232 Pt 11.4105689508 1.4342784061 3.6728588068 Pt 9.5418300636 0.0154802137 4.8073629720 Pt 7.9507596085 1.9614644786 5.2602898195 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0572888967 4.0553565278 1.1787664298 Pt 7.9814605448 5.9656268455 1.8988611095 Pt 8.0212541730 3.9409324284 3.5118878285 Pt 10.3351106988 5.5867537961 3.1278924485 Pt 10.2033188248 3.4526072087 4.7624592285 Pt 7.7571689281 5.7727749177 5.4517061870 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0801651774 7.8141109819 1.0662505003 Pt 7.8173837487 11.0753089558 1.0990102383 Pt 7.9483362682 7.9775532923 3.5957526517 Pt 9.6312842921 9.6028627917 2.6032752294 Pt 9.9315659898 7.2200750227 5.0970928245 Pt 7.2550453137 9.9648863698 5.1221110876 H 2.3000930990 1.5409927247 9.8903801697 O 1.3912063429 1.8329647132 9.7153457570 H 1.2198334228 2.4712106068 10.4288101361 75 i = 32, E = -8672.0904501827 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7810285960 -1.3165939935 1.1610299215 Pt -1.3159045963 1.7818006156 1.1889375891 Pt 0.1168050325 0.0860116119 2.6882273337 Pt 1.7935833242 1.8330503049 3.5406559020 Pt 2.0624270298 -0.1055593803 5.2660896787 Pt -0.0988889064 2.1494333428 5.3069639876 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7314454186 3.8649614749 1.9410979631 Pt -0.4815243949 5.8975351407 1.7797304059 Pt -0.9098594403 3.9781086367 3.5816426193 Pt 1.7287926059 5.9591710815 3.5195868299 Pt 1.8229281721 3.9858186958 5.3913430988 Pt -0.2554153378 6.0197771820 5.1361363727 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9508397162 7.9274185840 1.8416189428 Pt 0.1033166451 9.6292182390 2.1683284187 Pt -1.5111485049 7.8240405150 3.5549084582 Pt 1.4976032482 11.3376051736 3.6601687715 Pt 1.9881528273 7.9770999485 5.2746930743 Pt 0.0141784226 9.5117720009 4.7696687455 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9006017579 -0.4868019008 1.7851856388 Pt 3.8379227280 1.7337556102 1.9386175255 Pt 3.9962993143 -0.9072533782 3.6115598085 Pt 5.9620999173 1.7316062559 3.4718525075 Pt 6.0424059438 -0.2063549582 5.1422793508 Pt 4.0072766054 1.7315774120 5.3488570007 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8624068705 3.8692007403 1.8849171706 Pt 3.8562976332 5.8567563831 1.8909537118 Pt 3.8402166513 3.8219666655 3.6432381624 Pt 5.8525174294 5.8624261280 3.6303385812 Pt 5.9081174713 3.7156299676 5.4550105835 Pt 3.7525746347 5.9176521202 5.4578183136 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9581265580 7.9723031158 1.8938302884 Pt 4.0518744991 11.0380546276 1.1863807810 Pt 3.9282035320 8.0257026411 3.4745074172 Pt 5.6218587520 10.3505397713 3.1044068132 Pt 5.7709444449 7.8011901723 5.4370287662 Pt 3.5430649323 10.1774566907 4.8069978235 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6308911074 0.1023254206 2.1816346626 Pt 7.9569568724 1.9782155210 1.8496460893 Pt 7.8305533698 -1.4778895846 3.5711219898 Pt 11.3975842926 1.4349153163 3.6827418585 Pt 9.5346664953 0.0066938518 4.7929809540 Pt 7.9460064225 1.9478201020 5.2594577058 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0450986235 4.0428517368 1.1646515126 Pt 7.9789642188 5.9704293326 1.9085935983 Pt 8.0138132045 3.9490606273 3.5130129840 Pt 10.3417849075 5.5726626603 3.1100453545 Pt 10.1896038689 3.4597935318 4.7866292941 Pt 7.7399169800 5.7877744559 5.4735566421 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0795577235 7.8152554461 1.0828731968 Pt 7.8196889171 11.0736138500 1.1076899123 Pt 7.9495054195 7.9760977285 3.6179349699 Pt 9.6263591204 9.5976371811 2.5970019638 Pt 9.9364668746 7.1779399133 5.0882379283 Pt 7.2151040504 9.9744151041 5.1060313986 H 2.2979280355 1.5442744160 9.8959665341 O 1.3879986085 1.8330706389 9.7231650997 H 1.2214265061 2.4721424769 10.4371653768 75 i = 33, E = -8672.0920618573 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7590351737 -1.3285590385 1.1751385207 Pt -1.3271039427 1.7637617063 1.2094521353 Pt 0.1261614182 0.0938540391 2.7029906794 Pt 1.8074460904 1.8442376949 3.5363356603 Pt 2.0551950551 -0.0967718200 5.2497216905 Pt -0.0901538596 2.1502779918 5.2893963358 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7258742143 3.8752795401 1.9379362081 Pt -0.4773125591 5.8947868422 1.7664580282 Pt -0.9234601850 3.9736578422 3.5631718162 Pt 1.7185181063 5.9682338142 3.5079606061 Pt 1.8176679815 4.0020157420 5.3929758592 Pt -0.2399569370 5.9669052968 5.1691322347 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9636007265 7.9373303398 1.8408739249 Pt 0.0936817620 9.6323967121 2.1622413585 Pt -1.4914894744 7.7756711224 3.5695848082 Pt 1.4783487389 11.3340772061 3.6574314634 Pt 1.9764796296 7.9851312586 5.2554168583 Pt -0.0049358423 9.5067853640 4.7560487849 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8950591345 -0.4774786192 1.7724163440 Pt 3.8439624790 1.7311845042 1.9308636899 Pt 4.0037322751 -0.9046206251 3.6053444703 Pt 5.9694216340 1.7220698606 3.4538945282 Pt 6.0160932080 -0.1762230282 5.1816645307 Pt 4.0261029846 1.7122385629 5.3448960450 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8656704213 3.8721355566 1.8793960723 Pt 3.8544478551 5.8588816470 1.8877366209 Pt 3.8375492446 3.8166722242 3.6424766870 Pt 5.8416780130 5.8620983066 3.6314915673 Pt 5.9388428168 3.6847886872 5.4345756907 Pt 3.7264026652 5.9415976481 5.4449716426 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9798343705 7.9734669342 1.8963267452 Pt 4.0397686324 11.0573815761 1.1416426205 Pt 3.9399512223 8.0308169277 3.4812786306 Pt 5.5838472983 10.3575762019 3.0575428009 Pt 5.7833917748 7.7706518755 5.4719792318 Pt 3.5431701109 10.1745732446 4.8096212676 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6324494335 0.0958503927 2.1693458965 Pt 7.9735873346 1.9972965314 1.8515844701 Pt 7.7748563315 -1.4512810637 3.5686071834 Pt 11.3854495071 1.4195027312 3.6922656361 Pt 9.5328411567 -0.0326469458 4.7780482646 Pt 7.9546420899 1.9140398086 5.2364918005 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0588397179 4.0243919428 1.1188228345 Pt 7.9768350197 5.9855730425 1.9145229269 Pt 8.0013533680 3.9689088582 3.5264578225 Pt 10.3404408342 5.5388725791 3.0653879169 Pt 10.1809324025 3.4580652277 4.7937039961 Pt 7.6900389595 5.8153942138 5.5178798136 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0764347395 7.8176671520 1.1053656782 Pt 7.8247986206 11.0711142706 1.1202772690 Pt 7.9615361543 7.9857329651 3.6481214125 Pt 9.6198401830 9.5914981262 2.5988504615 Pt 9.9463569636 7.0847347426 5.0678230479 Pt 7.1311526317 9.9897820209 5.0817791924 H 2.2973422824 1.5524805081 9.9125419446 O 1.3830967904 1.8369372137 9.7552382646 H 1.2257563452 2.4776367677 10.4683737262 75 i = 34, E = -8672.0931519385 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7572767289 -1.3429368915 1.1756941714 Pt -1.3325508652 1.7512526855 1.2143478237 Pt 0.1367614318 0.1095094066 2.6892665434 Pt 1.8183868866 1.8575809711 3.5351932951 Pt 2.0540346734 -0.0956946258 5.2646094738 Pt -0.0880444191 2.1569569933 5.3037695822 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7292248636 3.8758815028 1.9326754573 Pt -0.4648982503 5.8948606744 1.7733896754 Pt -0.9326589858 3.9654198095 3.5546534907 Pt 1.7086950010 5.9685859515 3.5014192596 Pt 1.8178835092 4.0171712461 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5.9555710981 3.6648929246 5.4337323370 Pt 3.7063309880 5.9562840352 5.4476870887 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9903004489 7.9767305034 1.9017186192 Pt 4.0320800691 11.0691207390 1.1121427123 Pt 3.9576291271 8.0296096281 3.4870854272 Pt 5.5572660057 10.3646142384 3.0380592295 Pt 5.7877762014 7.7491320462 5.5064698663 Pt 3.5303958675 10.1787140276 4.8060844317 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6324640512 0.0925041003 2.1725532664 Pt 7.9833647175 2.0109560249 1.8601309780 Pt 7.7407892092 -1.4423785139 3.5753754156 Pt 11.3858317301 1.4056742437 3.7005021701 Pt 9.5341612961 -0.0638818936 4.7743655254 Pt 7.9581024310 1.8917949630 5.2127373295 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0658866035 4.0270680050 1.0889978481 Pt 7.9754350933 5.9972232281 1.9183136741 Pt 7.9951696689 3.9855338381 3.5422808781 Pt 10.3404279827 5.5079342086 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0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8697598637 3.8700138854 1.8802173899 Pt 3.8453033452 5.8663150056 1.8842002532 Pt 3.8522170743 3.8351982011 3.6473169038 Pt 5.8304264044 5.8525501036 3.6390191915 Pt 5.9634560009 3.6516056068 5.4422746583 Pt 3.6885739485 5.9682807780 5.4562665266 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9941571407 7.9841607187 1.9107224311 Pt 4.0215208972 11.0775088375 1.0783325238 Pt 3.9771750068 8.0206538647 3.4945965501 Pt 5.5276183206 10.3764744905 3.0287779734 Pt 5.7897097734 7.7297010425 5.5445902305 Pt 3.5133693630 10.1996318143 4.7979591249 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6357609704 0.0875553794 2.1808536468 Pt 7.9923236188 2.0167618856 1.8777140143 Pt 7.6972995730 -1.4301012572 3.5909226527 Pt 11.3876420527 1.4048882168 3.7093071458 Pt 9.5399892645 -0.0962966814 4.7734311402 Pt 7.9581675816 1.8647873321 5.1863499929 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0776948885 4.0244790401 1.0538835672 Pt 7.9760460404 6.0045127453 1.9234871986 Pt 7.9894031948 3.9995517515 3.5622784462 Pt 10.3399301554 5.4716528785 3.0281425089 Pt 10.1698750080 3.4263449963 4.7808969466 Pt 7.6319378681 5.8276386524 5.5993245478 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.1128450401 7.8068271670 1.1187418650 Pt 7.8137519749 11.1108817918 1.1124846697 Pt 7.9715716820 7.9943010025 3.6904438163 Pt 9.5946619933 9.5689515547 2.5801100350 Pt 9.9217758494 6.9472853046 5.0605465204 Pt 7.0073020178 9.9916383807 5.0707386615 H 2.2985469951 1.5689161001 9.9469598232 O 1.3759370853 1.8387970823 9.8256097443 H 1.2356785710 2.4857536813 10.5375898854 75 i = 36, E = -8672.0947945265 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7730580781 -1.3249337504 1.1786154008 Pt -1.3167546393 1.7620918857 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3.8313417349 1.7534661061 1.9270913370 Pt 3.9914290116 -0.8848422685 3.6191638327 Pt 5.9474768837 1.7051397131 3.4506105426 Pt 6.0127819033 -0.1944847360 5.1873057922 Pt 4.0115726309 1.7428038789 5.3461981151 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8707401824 3.8685125211 1.8836207334 Pt 3.8509853246 5.8679085765 1.8880828164 Pt 3.8521051796 3.8412263225 3.6418354464 Pt 5.8418395365 5.8592994372 3.6391369410 Pt 5.9366819458 3.6718657319 5.4524999590 Pt 3.7068907626 5.9491066056 5.4600370426 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9836005284 7.9905931232 1.9057191017 Pt 4.0296454139 11.0669162245 1.1041003297 Pt 3.9610530216 8.0203675894 3.4998557266 Pt 5.5385559539 10.3744395807 3.0639972763 Pt 5.7747046533 7.7447840287 5.5224507636 Pt 3.5017380755 10.2010332617 4.7957530761 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6364184010 0.0922299540 2.1874344137 Pt 7.9824610257 2.0008272020 1.8782863092 Pt 7.7414335532 -1.4654762975 3.5935571962 Pt 11.4026896850 1.4060720816 3.7029537766 Pt 9.5402790465 -0.0706904129 4.7852120650 Pt 7.9437656006 1.8796894564 5.2014362198 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0759077870 4.0343165815 1.0777598574 Pt 7.9832163287 5.9948723371 1.9193067472 Pt 7.9964203084 3.9839427754 3.5553753292 Pt 10.3381359410 5.4817724577 3.0651933925 Pt 10.1774813306 3.4114484469 4.7819479361 Pt 7.6592561789 5.7963934410 5.5690848902 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.1079151723 7.8137765435 1.1164479099 Pt 7.8204358409 11.1025181339 1.1116750790 Pt 7.9589528688 7.9872850960 3.6674367778 Pt 9.5975130688 9.5704076056 2.5776195365 Pt 9.9152950900 7.0047521967 5.0692579485 Pt 7.0586046423 9.9796104450 5.0865082719 H 2.2996882730 1.5658217424 9.9418666323 O 1.3778533320 1.8372150455 9.8190605438 H 1.2343363015 2.4842464309 10.5302460061 75 i = 37, E = -8672.0955928117 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7651577244 -1.3178883299 1.1869900984 Pt -1.3136401570 1.7607130174 1.2223815946 Pt 0.1308238042 0.1021009166 2.7183858045 Pt 1.8061288662 1.8545390402 3.5476408174 Pt 2.0569926856 -0.0804346142 5.2795040649 Pt -0.0762952414 2.1556522648 5.3315124135 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7474920315 3.8670098468 1.9305780258 Pt -0.4591201660 5.8975113400 1.7873352723 Pt -0.9307066782 3.9354336805 3.5473462409 Pt 1.7023503382 5.9565447325 3.5051748741 Pt 1.8332341011 4.0026636408 5.3995609134 Pt -0.2568657801 5.8842796628 5.1844722898 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9680465573 7.9546465300 1.8638699253 Pt 0.0736020255 9.6311108208 2.1789720054 Pt -1.4848305054 7.7004055370 3.6300722331 Pt 1.4666756165 11.3485451877 3.6629526871 Pt 1.9562153394 7.9851037797 5.2372233497 Pt -0.0295238004 9.5037575317 4.7694776985 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8884997934 -0.4689284217 1.7772675907 Pt 3.8300576604 1.7536172860 1.9286047181 Pt 3.9907255843 -0.8850691396 3.6202737801 Pt 5.9472187063 1.7058217430 3.4477728756 Pt 6.0013907096 -0.1871243750 5.1994864828 Pt 4.0111932050 1.7431440780 5.3478227109 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8734368831 3.8700024474 1.8842095987 Pt 3.8532789247 5.8713370920 1.8904633840 Pt 3.8533717262 3.8452036850 3.6439061100 Pt 5.8404696277 5.8620629266 3.6408230094 Pt 5.9420839381 3.6607183473 5.4505288095 Pt 3.7010014439 5.9537918132 5.4603218425 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9876893567 7.9897641287 1.9078964656 Pt 4.0310416866 11.0682228373 1.0987532817 Pt 3.9583666120 8.0274048089 3.5110214683 Pt 5.5262479359 10.3744787451 3.0481138308 Pt 5.7771108271 7.7310075843 5.5290310400 Pt 3.4986964990 10.1992397403 4.7943098652 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6401059608 0.0902833096 2.1785762096 Pt 7.9833649073 2.0032992230 1.8753529385 Pt 7.7268546948 -1.4605751035 3.5913118494 Pt 11.3966564248 1.3939903697 3.7032094604 Pt 9.5431073616 -0.0837292763 4.7851265817 Pt 7.9479749133 1.8642699088 5.2010248986 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0728245555 4.0288032432 1.0709208267 Pt 7.9808053534 5.9962416288 1.9224472779 Pt 7.9927095706 3.9830777140 3.5614200346 Pt 10.3358442582 5.4722585076 3.0509200955 Pt 10.1834600138 3.4053063122 4.7871458367 Pt 7.6402897859 5.7964023000 5.5768983010 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.1018920586 7.8166299579 1.1323765093 Pt 7.8216889541 11.0965726494 1.1186730529 Pt 7.9581198626 7.9892348827 3.6753169010 Pt 9.5997966605 9.5754405890 2.5880900327 Pt 9.9206629247 6.9801994166 5.0688068673 Pt 7.0338418847 9.9837735502 5.0865651014 H 2.3027255927 1.5687228236 9.9509140619 O 1.3764002085 1.8359542507 9.8421299399 H 1.2370706545 2.4879102366 10.5459836677 75 i = 38, E = -8672.0962041714 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7661380501 -1.3148061414 1.1876867568 Pt -1.3123390933 1.7668765081 1.2242515942 Pt 0.1296484598 0.1034909017 2.7156285720 Pt 1.8011713721 1.8547977337 3.5532535058 Pt 2.0543630717 -0.0801913983 5.2917388695 Pt -0.0809448111 2.1572134737 5.3332694347 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7486152150 3.8693877096 1.9274843283 Pt -0.4642186135 5.8903478985 1.7822712619 Pt -0.9291400118 3.9164345631 3.5296428293 Pt 1.7024521519 5.9570500097 3.5016456075 Pt 1.8398548701 3.9964716356 5.4028346774 Pt -0.2540231222 5.8511194063 5.1862145056 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9700748347 7.9551055457 1.8602352308 Pt 0.0707773177 9.6231969467 2.1785245605 Pt -1.4825689832 7.6855175170 3.6461854603 Pt 1.4523884577 11.3502205144 3.6592510433 Pt 1.9482986414 7.9810209118 5.2354728970 Pt -0.0411603076 9.4978994184 4.7645460289 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8829711001 -0.4768541278 1.7732662873 Pt 3.8243776288 1.7565434434 1.9244034139 Pt 3.9873423115 -0.8743063792 3.6102728991 Pt 5.9443490040 1.7037158139 3.4413317216 Pt 5.9881288058 -0.1792330742 5.2057225473 Pt 4.0086371740 1.7482144588 5.3475778264 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8757250712 3.8738281103 1.8837117129 Pt 3.8539479932 5.8768768717 1.8885642827 Pt 3.8550966310 3.8485117062 3.6417722765 Pt 5.8402352672 5.8635916250 3.6378499939 Pt 5.9469888357 3.6493454148 5.4466525184 Pt 3.6952790090 5.9576904082 5.4600856970 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9891072820 7.9915192164 1.9115001319 Pt 4.0242488485 11.0707066297 1.0882420667 Pt 3.9605649168 8.0311248058 3.5152571549 Pt 5.5112235448 10.3726493540 3.0393146828 Pt 5.7795458571 7.7171311030 5.5400941449 Pt 3.4845386873 10.2015123809 4.7955421455 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6375000677 0.0932805090 2.1743623053 Pt 7.9801868932 2.0048139640 1.8730146778 Pt 7.7203550425 -1.4640354419 3.5958902242 Pt 11.4018475062 1.3806613440 3.7068943125 Pt 9.5397001363 -0.0997493515 4.7771221390 Pt 7.9445816749 1.8491435097 5.1945056203 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0741975120 4.0175021748 1.0615885975 Pt 7.9799838365 5.9980863038 1.9260935123 Pt 7.9940962110 3.9796253864 3.5678959254 Pt 10.3282192686 5.4541464871 3.0431983186 Pt 10.1804105270 3.3912816168 4.7888043598 Pt 7.6278311857 5.7912880804 5.5883014460 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.1058566146 7.8208692351 1.1470366103 Pt 7.8257263993 11.0975681396 1.1178464475 Pt 7.9599878576 7.9917940602 3.6859118262 Pt 9.5896756741 9.5699527433 2.5833460740 Pt 9.9118889141 6.9478502799 5.0678100036 Pt 7.0018494981 9.9818646429 5.0851517281 H 2.3040713441 1.5764830827 9.9679306869 O 1.3754412823 1.8347964629 9.8659117856 H 1.2455870341 2.4888100345 10.5755932984 75 i = 39, E = -8672.0972749083 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7710706634 -1.2985129177 1.1900098399 Pt -1.2938202528 1.7730543601 1.2291433845 Pt 0.1279601170 0.0991908258 2.7166271640 Pt 1.7889109571 1.8513147150 3.5653528221 Pt 2.0520941804 -0.0801049699 5.3028889379 Pt -0.0849330175 2.1530931636 5.3524522126 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7505731459 3.8668536619 1.9270872602 Pt -0.4771661235 5.8845990200 1.7816824314 Pt -0.9227720684 3.8829405579 3.5020213056 Pt 1.7047413340 5.9540810663 3.5036725259 Pt 1.8544823158 3.9824253544 5.4088846205 Pt -0.2537588671 5.7997500319 5.1752580292 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9693021367 7.9556342062 1.8623890185 Pt 0.0639717469 9.6094787922 2.1813396438 Pt -1.4856030013 7.6604996415 3.6752646080 Pt 1.4337363681 11.3571046655 3.6578748565 Pt 1.9372126062 7.9673239798 5.2395188724 Pt -0.0524551412 9.4880043813 4.7622902663 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8815081958 -0.4937289158 1.7704267156 Pt 3.8126072158 1.7609743814 1.9242025151 Pt 3.9685458555 -0.8546847450 3.6023759140 Pt 5.9318377567 1.6993393166 3.4380723881 Pt 5.9722908943 -0.1804895644 5.2070199545 Pt 3.9913956432 1.7627217570 5.3498619530 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8797926972 3.8757339224 1.8840067037 Pt 3.8537076571 5.8842864929 1.8888812514 Pt 3.8600196788 3.8568641262 3.6368310966 Pt 5.8423620526 5.8657839514 3.6347997352 Pt 5.9459934275 3.6380784410 5.4485510526 Pt 3.6918498803 5.9574517062 5.4664242775 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9867480673 7.9949109828 1.9164178473 Pt 4.0248741835 11.0588159636 1.0833757566 Pt 3.9583265461 8.0380331452 3.5256498954 Pt 5.4884912702 10.3740895290 3.0481847889 Pt 5.7771714143 7.7022165687 5.5569977157 Pt 3.4545043368 10.2100289699 4.7978676978 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6371507166 0.0988898453 2.1717415370 Pt 7.9736806011 2.0002573206 1.8718117811 Pt 7.7136882045 -1.4803842131 3.6036690081 Pt 11.4034961049 1.3570778901 3.7091462713 Pt 9.5364684729 -0.1161561504 4.7662552843 Pt 7.9310057050 1.8301005939 5.1915339624 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0607126535 4.0199373270 1.0586769226 Pt 7.9791162374 5.9964152660 1.9309142269 Pt 7.9974156395 3.9687888688 3.5741971483 Pt 10.3228221474 5.4270487520 3.0512858951 Pt 10.1808028983 3.3612364171 4.7959509945 Pt 7.6194615788 5.7710091275 5.6034628761 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.1120131879 7.8248880893 1.1751773251 Pt 7.8274304738 11.1016172882 1.1223163949 Pt 7.9568714857 7.9911211834 3.6970641522 Pt 9.5725022048 9.5629895897 2.5796296533 Pt 9.8917370859 6.9161560478 5.0710051676 Pt 6.9664961665 9.9697524501 5.0898382667 H 2.3095816702 1.5861282426 9.9941546566 O 1.3757134196 1.8336388438 9.9088165695 H 1.2554797260 2.4929881722 10.6175225234 75 i = 40, E = -8672.0973348402 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8062986153 -1.2463246763 1.2001885746 Pt -1.2262618151 1.8087778166 1.2500387455 Pt 0.1087173515 0.0726701896 2.7340797848 Pt 1.7401565233 1.8402871667 3.5964584849 Pt 2.0276959966 -0.0770868959 5.3536985947 Pt -0.0989080990 2.1327717438 5.4202155254 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7572778550 3.8545962073 1.9331014585 Pt -0.5085059225 5.8654344316 1.7868259909 Pt -0.9075551034 3.7542319994 3.4130408970 Pt 1.7147054462 5.9435770145 3.5108509789 Pt 1.9097508567 3.9242124970 5.4283247536 Pt -0.2614435131 5.6106610685 5.1345978938 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9661596903 7.9600545534 1.8708030467 Pt 0.0306222038 9.5661102045 2.1852607051 Pt -1.5068115174 7.5510880590 3.7794739381 Pt 1.3434778630 11.3792558153 3.6486966899 Pt 1.8938819509 7.9393489822 5.2492674379 Pt -0.0959016144 9.4554701586 4.7613835382 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8728251792 -0.5408074834 1.7683206876 Pt 3.7663246330 1.7779687628 1.9316638379 Pt 3.9056243228 -0.7959495943 3.5809285637 Pt 5.8884703321 1.6840959796 3.4282267145 Pt 5.9213665063 -0.1955318762 5.2043264724 Pt 3.9271441219 1.8124950338 5.3513341247 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8934118635 3.8789510026 1.8836860902 Pt 3.8557988438 5.9071126680 1.8897046250 Pt 3.8759702503 3.8828030796 3.6173225714 Pt 5.8509355177 5.8719352702 3.6323099487 Pt 5.9425192885 3.5930934378 5.4538547443 Pt 3.6762133296 5.9571113235 5.4877408376 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9763131946 8.0075785685 1.9352566846 Pt 4.0124293372 11.0482152413 1.0564966003 Pt 3.9486140241 8.0602474665 3.5575416924 Pt 5.3938722778 10.3755992431 3.0801023335 Pt 5.7673159365 7.6362174724 5.6153360527 Pt 3.3321543624 10.2531192673 4.7963959319 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6425068888 0.1159766092 2.1507862078 Pt 7.9528051630 1.9777813039 1.8711354775 Pt 7.6731977618 -1.5460020143 3.6335201211 Pt 11.4235738254 1.2569760537 3.7200427067 Pt 9.5205948944 -0.1847849308 4.7370665550 Pt 7.8999810733 1.7523130469 5.1752195286 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0405395132 4.0120956969 1.0370826560 Pt 7.9799908623 5.9865125203 1.9487895643 Pt 8.0087818527 3.9314865242 3.5903506042 Pt 10.2951827836 5.3212380850 3.0850354281 Pt 10.1882479936 3.2360219831 4.8061084853 Pt 7.5782818921 5.6906414418 5.6536354452 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.1231247892 7.8457145070 1.2722657465 Pt 7.8367724579 11.1072995378 1.1335879106 Pt 7.9362731231 7.9833240260 3.7329509970 Pt 9.5213700567 9.5544262553 2.5754545496 Pt 9.8234309300 6.8031447086 5.0836000119 Pt 6.8404432191 9.9261764941 5.1115799587 H 2.3370513056 1.6241257045 10.0990623864 O 1.3778790827 1.8271890856 10.1041692947 H 1.2906636247 2.5157903041 10.7806402956 75 i = 41, E = -8672.0991803235 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7985580971 -1.2691280697 1.1973889833 Pt -1.2490228517 1.7996344775 1.2419615585 Pt 0.1123874182 0.0763906998 2.7156462201 Pt 1.7499079705 1.8415293763 3.5837944110 Pt 2.0289342766 -0.0847008963 5.3336820856 Pt -0.0999424366 2.1368173150 5.3932768510 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7502871703 3.8593136589 1.9371937014 Pt -0.4996835343 5.8694795607 1.7864473827 Pt -0.9122846212 3.7916393517 3.4440024902 Pt 1.7129060707 5.9493492074 3.5128924181 Pt 1.8908342587 3.9422743910 5.4237074816 Pt -0.2609057193 5.6720888609 5.1403675281 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9663188852 7.9536317127 1.8666819961 Pt 0.0368999100 9.5829569026 2.1805774513 Pt -1.5012472144 7.5842343457 3.7411822150 Pt 1.3671038474 11.3618910853 3.6479581075 Pt 1.9160668734 7.9557202503 5.2500922533 Pt -0.0815377195 9.4600840699 4.7581380157 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8738943819 -0.5227261421 1.7721294501 Pt 3.7812730821 1.7669943752 1.9359183250 Pt 3.9203531635 -0.8220890807 3.5859718553 Pt 5.9065013553 1.6888839890 3.4369300821 Pt 5.9364529422 -0.2006357252 5.1980570668 Pt 3.9486953260 1.7873790294 5.3505508372 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8861473412 3.8749814611 1.8861480000 Pt 3.8563249860 5.8957001860 1.8929506999 Pt 3.8703700215 3.8702956660 3.6305665019 Pt 5.8475299033 5.8659326151 3.6405050285 Pt 5.9419383470 3.6078213158 5.4578253131 Pt 3.6841707803 5.9536229486 5.4876401422 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9762156676 8.0005439031 1.9287878039 Pt 4.0187137590 11.0463112583 1.0755347349 Pt 3.9434884021 8.0536758436 3.5468320471 Pt 5.4301668022 10.3720441437 3.0776336522 Pt 5.7683552413 7.6595697414 5.5882724675 Pt 3.3780495037 10.2426687178 4.7995376943 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6466286755 0.1093465152 2.1528941492 Pt 7.9542362144 1.9820978188 1.8713674000 Pt 7.6796320298 -1.5277613404 3.6235893914 Pt 11.4137176790 1.2880617601 3.7156395283 Pt 9.5175999289 -0.1593670371 4.7425182865 Pt 7.9142603968 1.7843416307 5.1861224522 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0378688737 4.0144974978 1.0561773623 Pt 7.9808153742 5.9872492973 1.9406276731 Pt 8.0050484765 3.9351989934 3.5809031195 Pt 10.3078786708 5.3644048702 3.0846475195 Pt 10.1901482014 3.2828142189 4.8012526617 Pt 7.5953987628 5.7129193871 5.6278133224 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.1179537827 7.8405928815 1.2331742055 Pt 7.8306745271 11.1050573912 1.1250562444 Pt 7.9388488907 7.9800102979 3.7171697663 Pt 9.5354724727 9.5614955583 2.5796166065 Pt 9.8522299158 6.8676264196 5.0866102277 Pt 6.9038661515 9.9409210023 5.1121138855 H 2.3250099597 1.6156567363 10.0728329864 O 1.3805405810 1.8277857448 10.0331156502 H 1.2828305268 2.5063641395 10.7255499235 75 i = 42, E = -8672.1002939512 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7929059845 -1.2758488741 1.1955171910 Pt -1.2547632076 1.7998587506 1.2443699433 Pt 0.1080216290 0.0661203832 2.7055465440 Pt 1.7433796002 1.8394940729 3.5766195372 Pt 2.0136652170 -0.0911153141 5.3173245344 Pt -0.1022508472 2.1297082602 5.3872002961 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7445816066 3.8617372639 1.9377452581 Pt -0.4963283010 5.8681114976 1.7855252918 Pt -0.9132435294 3.7819391198 3.4326747182 Pt 1.7165865685 5.9536807286 3.5113026986 Pt 1.8856110582 3.9436677577 5.4239857724 Pt -0.2588339759 5.6600626321 5.1307157799 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9632836900 7.9533143437 1.8604305990 Pt 0.0303313990 9.5778352373 2.1701820506 Pt -1.5044155515 7.5741781234 3.7346808352 Pt 1.3493687132 11.3588490964 3.6460941135 Pt 1.9224075656 7.9664774061 5.2449787472 Pt -0.0920498100 9.4466306942 4.7523514432 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8707305781 -0.5129910152 1.7734542152 Pt 3.7799343896 1.7593452662 1.9380663890 Pt 3.9119822385 -0.8290026416 3.5776385794 Pt 5.9109075449 1.6887192829 3.4347967362 Pt 5.9313948028 -0.2040301735 5.1890976532 Pt 3.9514223694 1.7672800711 5.3453504826 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8824907835 3.8724372033 1.8863387621 Pt 3.8568389139 5.8905904048 1.8943650558 Pt 3.8666179429 3.8618357041 3.6332179647 Pt 5.8442573451 5.8586584530 3.6405019838 Pt 5.9459982860 3.5964670393 5.4536724140 Pt 3.6798972214 5.9556675508 5.4855412590 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9765581489 7.9954586703 1.9265745453 Pt 4.0245799372 11.0531498287 1.0739763206 Pt 3.9426376131 8.0551755381 3.5409099946 Pt 5.4282799145 10.3575810320 3.0768592091 Pt 5.7678417644 7.6535858733 5.5832849379 Pt 3.3714627720 10.2505303244 4.7924840143 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6519195421 0.1114798884 2.1404325695 Pt 7.9540776542 1.9783885899 1.8654367484 Pt 7.6655288351 -1.5355537950 3.6171018695 Pt 11.4152168901 1.2697223731 3.7170039982 Pt 9.5057594572 -0.1717773527 4.7314463877 Pt 7.9199866770 1.7817245186 5.1803455311 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0416970165 4.0138903468 1.0567585320 Pt 7.9811449877 5.9881567594 1.9390205310 Pt 8.0038037005 3.9357019405 3.5750387786 Pt 10.3016485369 5.3665055592 3.0867599793 Pt 10.1925284358 3.2773998457 4.7893078587 Pt 7.5937866363 5.7137455199 5.6214840317 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.1194532659 7.8448877393 1.2271563127 Pt 7.8302501312 11.1072604479 1.1203515494 Pt 7.9369985010 7.9765720594 3.7104260364 Pt 9.5264235916 9.5659888771 2.5804343631 Pt 9.8526565157 6.8777255027 5.0877947677 Pt 6.9085574795 9.9369554647 5.1119641750 H 2.3286537683 1.6174690701 10.0844520434 O 1.3837928854 1.8315267775 10.0515535397 H 1.2823410977 2.5120921379 10.7395483649 75 i = 43, E = -8672.1030160846 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8080331863 -1.2901230226 1.1942474667 Pt -1.2434503486 1.8297239894 1.2699502660 Pt 0.0730817396 0.0163490996 2.6549928556 Pt 1.6740275285 1.8211057163 3.5660323508 Pt 1.9252487819 -0.1333215356 5.2909740119 Pt -0.1380704156 2.0936575442 5.3977618148 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7241769749 3.8731280794 1.9521349637 Pt -0.5043828758 5.8435595276 1.7822252190 Pt -0.9085332770 3.6401322662 3.3166786271 Pt 1.7328306541 5.9686228340 3.5195965886 Pt 1.8935030457 3.9129557829 5.4444549613 Pt -0.2678892711 5.4604760319 5.0621339236 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9525401853 7.9457780107 1.8470105155 Pt -0.0375072142 9.5361421668 2.1291034341 Pt -1.5161022728 7.4363357077 3.7697759170 Pt 1.2182823492 11.3094025532 3.6219222497 Pt 1.9327876124 7.9947757677 5.2454119819 Pt -0.1545321993 9.3522812708 4.7171796925 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8470750422 -0.5040959371 1.7738030604 Pt 3.7506938859 1.7312122582 1.9625560188 Pt 3.8281203431 -0.8286210605 3.5077327183 Pt 5.9038150460 1.6725751536 3.4306700267 Pt 5.8526765894 -0.2473027329 5.1528125618 Pt 3.9235103061 1.7026816111 5.3237209261 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8722397938 3.8578806616 1.8907564528 Pt 3.8593222620 5.8817911054 1.9059222896 Pt 3.8590036582 3.8390727624 3.6507973265 Pt 5.8291696490 5.8229513974 3.6525398547 Pt 5.9600488161 3.5222738982 5.4640409324 Pt 3.6541226770 5.9617329470 5.5118541505 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9649270399 7.9765139648 1.9269541253 Pt 4.0384123809 11.0468672401 1.0814928787 Pt 3.9179916753 8.0787448965 3.5502947167 Pt 5.3679109750 10.3034191727 3.1114714218 Pt 5.7574036853 7.5901243937 5.5999644507 Pt 3.2914131812 10.3096837910 4.7792587514 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.6945138832 0.1285324919 2.0618569721 Pt 7.9341929401 1.9478090561 1.8515492973 Pt 7.5555528293 -1.6031296130 3.6026014624 Pt 11.4117982029 1.1427529275 3.7363540395 Pt 9.4277709168 -0.2676037947 4.6494943530 Pt 7.9217022450 1.7217496980 5.1574862535 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0060730848 4.0130402558 1.0742609747 Pt 7.9835443901 5.9788057029 1.9432483335 Pt 8.0034776552 3.9012461843 3.5696670536 Pt 10.2762381419 5.3261868470 3.1439699917 Pt 10.2203993874 3.1963834763 4.7595532974 Pt 7.5706564513 5.6621912052 5.6235686212 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.1257504981 7.8755537187 1.2599175327 Pt 7.8234985421 11.1207460976 1.0994969438 Pt 7.9070840537 7.9444384683 3.7068335449 Pt 9.4428066070 9.5814526917 2.5830963572 Pt 9.8143067595 6.8864379530 5.1160652923 Pt 6.8759431099 9.8817044501 5.1431072077 H 2.3551830506 1.6573163942 10.2165536729 O 1.3990102684 1.8353078762 10.2489227340 H 1.3113934932 2.5504625245 10.9028103699 75 i = 44, E = -8672.1046825999 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8075792235 -1.2904291702 1.1976871878 Pt -1.2548616715 1.8171123793 1.2580758919 Pt 0.0711411672 0.0040217083 2.6706021782 Pt 1.6721956462 1.8238080646 3.5554745589 Pt 1.9252790520 -0.1416371392 5.2832268653 Pt -0.1433975547 2.0896292309 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3.9118971938 1.7021712362 5.3132969645 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8722600503 3.8539437653 1.8882987324 Pt 3.8542918201 5.8826563914 1.9001148682 Pt 3.8589529429 3.8394292106 3.6435883278 Pt 5.8320129571 5.8244313610 3.6460866520 Pt 5.9526718727 3.5224642272 5.4611596434 Pt 3.6506495478 5.9560849293 5.5045727665 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9548721291 7.9753006431 1.9227976372 Pt 4.0354802531 11.0562806333 1.0838463277 Pt 3.9178294898 8.0687975945 3.5468802133 Pt 5.3651102249 10.3029850072 3.1149814401 Pt 5.7549395620 7.5869027449 5.5963307839 Pt 3.2830292285 10.3085434014 4.7704805940 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.7025437523 0.1300082159 2.0555481318 Pt 7.9402778332 1.9503273496 1.8599532221 Pt 7.5505561536 -1.6148763213 3.5976803932 Pt 11.4122592753 1.1324380096 3.7376847559 Pt 9.4287745046 -0.2743938946 4.6362422925 Pt 7.9217034851 1.7110500075 5.1493604978 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0211938503 4.0163972289 1.0689149173 Pt 7.9836960164 5.9703513471 1.9392869358 Pt 8.0024580624 3.8991483730 3.5741395565 Pt 10.2717837484 5.3186121637 3.1488022909 Pt 10.2171424356 3.1871731294 4.7486405215 Pt 7.5741010587 5.6552148366 5.6197218082 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.1239731484 7.8747177952 1.2649718915 Pt 7.8205319500 11.1226516665 1.0875927761 Pt 7.9041481108 7.9421980795 3.6975498091 Pt 9.4507899811 9.5869715524 2.5860093082 Pt 9.8048961986 6.8904357813 5.1134734180 Pt 6.8766687851 9.8704652251 5.1440999087 H 2.3515429628 1.6642752510 10.2306000910 O 1.3969497210 1.8335736827 10.2602172592 H 1.3173756683 2.5540586626 10.9109137037 75 i = 45, E = -8672.1073367445 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8072014497 -1.2945322989 1.2044892782 Pt -1.2891372639 1.7814023652 1.2388686407 Pt 0.0601505194 -0.0121920347 2.6806295545 Pt 1.6479407327 1.8359514209 3.5505536181 Pt 1.8977107994 -0.1577170036 5.2553927723 Pt -0.1527620671 2.0823092465 5.4307842849 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7567161100 3.8711944295 1.9299922304 Pt -0.4859037852 5.8461683221 1.7678505540 Pt -0.8942383614 3.5961668679 3.2684386537 Pt 1.6910722057 5.9630921758 3.5333899880 Pt 1.9278824701 3.8842942912 5.4423069827 Pt -0.3201601746 5.3541946662 5.0679464188 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9476937417 7.9670284365 1.8639093123 Pt -0.0814784078 9.5136285303 2.1161142294 Pt -1.5220655738 7.3628318413 3.7666404538 Pt 1.1806537101 11.2735615113 3.6024396849 Pt 1.9126722883 7.9871428273 5.2587407555 Pt -0.1773257726 9.3042997892 4.7086004648 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8657565541 -0.4989143241 1.7580003125 Pt 3.7270970575 1.7414117219 1.9510218488 Pt 3.7926343532 -0.7995236376 3.4359057083 Pt 5.8783054012 1.6528811852 3.4152556816 Pt 5.7945525915 -0.2748136714 5.1338404966 Pt 3.8749573769 1.6921575049 5.2868838107 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8750596753 3.8442909458 1.8863208099 Pt 3.8404997862 5.8861253760 1.8980555005 Pt 3.8641798410 3.8426677525 3.6329909803 Pt 5.8328876416 5.8216939416 3.6361092462 Pt 5.9421191897 3.4947732565 5.4614820920 Pt 3.6286252429 5.9485905482 5.5004276685 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9314918302 7.9703893962 1.9190289381 Pt 4.0338316726 11.0514634713 1.0928543917 Pt 3.9150495732 8.0510810958 3.5536857878 Pt 5.3383719443 10.2889313392 3.1316057537 Pt 5.7418355103 7.5498796860 5.6137769723 Pt 3.2427506124 10.3144064152 4.7484234755 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.7318143153 0.1416973383 2.0170707136 Pt 7.9513183985 1.9567403510 1.8821202753 Pt 7.5037676565 -1.6598545533 3.5851687706 Pt 11.4275506727 1.0877949594 3.7611307478 Pt 9.4083023309 -0.3344435989 4.5766001575 Pt 7.9122062706 1.6558708368 5.1152111473 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0232859059 4.0284207445 1.0624480514 Pt 7.9813516393 5.9513555941 1.9345500488 Pt 7.9937141889 3.8921989293 3.5962608898 Pt 10.2564544214 5.2843913361 3.1635577147 Pt 10.2194865433 3.1359516247 4.7285230670 Pt 7.5587988132 5.6218114850 5.6346655502 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.1236471775 7.8788725039 1.2976537706 Pt 7.8148439305 11.1311961286 1.0579782760 Pt 7.8905791590 7.9293676238 3.6901194387 Pt 9.4320089793 9.5892032177 2.5710795597 Pt 9.7759644669 6.8705018687 5.1083825346 Pt 6.8387360639 9.8351738152 5.1479956794 H 2.3550736621 1.6893300706 10.3024932782 O 1.3935594204 1.8280834757 10.3691112268 H 1.3345517153 2.5804300228 10.9824488715 75 i = 46, E = -8672.1087419667 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8167113013 -1.3030667673 1.2059256607 Pt -1.3397106104 1.7686103833 1.2285573092 Pt 0.0584409428 -0.0294976164 2.6708643453 Pt 1.6131659914 1.8467974642 3.5450967381 Pt 1.8603353262 -0.1893351351 5.1992300609 Pt -0.1651960525 2.0667962839 5.4612883507 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7693120907 3.8823035697 1.9232988609 Pt -0.4751508140 5.8280945715 1.7691083272 Pt -0.8864904499 3.5308025206 3.2115429008 Pt 1.6565836781 5.9624701395 3.5450476514 Pt 1.9490207940 3.8621575632 5.4486060480 Pt -0.3505445812 5.2449051529 5.0742510013 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9395769139 7.9693721715 1.8736868101 Pt -0.1315431060 9.4878262921 2.0989985716 Pt -1.5120582618 7.2865235636 3.7770814924 Pt 1.1367884837 11.2262083534 3.5885543718 Pt 1.9112398646 7.9735344994 5.2789602229 Pt -0.2087574599 9.2468456015 4.6958429204 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8661580098 -0.4969553422 1.7504834722 Pt 3.7073786983 1.7438172595 1.9549637090 Pt 3.7442170991 -0.7820915161 3.3750455764 Pt 5.8625009684 1.6323836471 3.4073553225 Pt 5.7353947351 -0.3029276539 5.1179923070 Pt 3.8356194461 1.6714344635 5.2618302456 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8817201390 3.8366282161 1.8847122922 Pt 3.8271742836 5.8859881877 1.9046710235 Pt 3.8704196348 3.8411311719 3.6316571033 Pt 5.8300986736 5.8144484595 3.6308003991 Pt 5.9282487388 3.4563130552 5.4663259733 Pt 3.6114019293 5.9358748393 5.5084876685 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9096612278 7.9625394977 1.9159742634 Pt 4.0277244093 11.0290125212 1.1181798885 Pt 3.8945620999 8.0389807235 3.5737843555 Pt 5.3080015066 10.2592640013 3.1611393695 Pt 5.7284309470 7.5129211278 5.6317426649 Pt 3.2113140686 10.3279453580 4.7410197452 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.7802465557 0.1590020411 1.9679747188 Pt 7.9556163375 1.9517699841 1.8922679395 Pt 7.4497349309 -1.6992460598 3.5650537088 Pt 11.4154215835 1.0345377339 3.7847697426 Pt 9.3810513014 -0.3972840034 4.5004321903 Pt 7.8976015866 1.5996031761 5.0863369783 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0160497949 4.0238719177 1.0855327665 Pt 7.9779286842 5.9305205715 1.9348174197 Pt 7.9817183351 3.8780712724 3.6215350185 Pt 10.2469237397 5.2576778938 3.1877108879 Pt 10.2175485853 3.0917010611 4.7235679794 Pt 7.5465586785 5.5880171515 5.6474398289 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.1152218130 7.8837971694 1.3262489937 Pt 7.8137262048 11.1271265161 1.0352800979 Pt 7.8750013256 7.9129389580 3.6797975431 Pt 9.3975036013 9.5846907876 2.5688095406 Pt 9.7468597668 6.8712060583 5.1099439537 Pt 6.8158570802 9.7874893354 5.1664231247 H 2.3598723714 1.7096915258 10.3853904842 O 1.3955728415 1.8281792734 10.4879305225 H 1.3454239561 2.6173474044 11.0596628299 75 i = 47, E = -8672.1101322731 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8052413493 -1.3106347786 1.1997869432 Pt -1.3797138925 1.7360266473 1.2182931867 Pt 0.0601998353 -0.0284798030 2.6683667907 Pt 1.5946597595 1.8637133644 3.5344903013 Pt 1.8365660275 -0.2000050619 5.1530534412 Pt -0.1601794529 2.0607908795 5.4615211955 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7702235989 3.8947584322 1.9189424631 Pt -0.4617724055 5.8250426662 1.7783351082 Pt -0.8843868977 3.5218858626 3.2257658568 Pt 1.6328467479 5.9627028856 3.5472920624 Pt 1.9505563731 3.8530045373 5.4432414610 Pt -0.3607999879 5.2306516867 5.0995811406 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9314995475 7.9686806687 1.8754651908 Pt -0.1519933320 9.4823601618 2.0963929443 Pt -1.5137887168 7.2682351922 3.7668183344 Pt 1.1166473615 11.2040113669 3.5752244774 Pt 1.9070657639 7.9652404874 5.2865073869 Pt -0.2220440216 9.2332358792 4.6920581464 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8745654991 -0.4967742215 1.7471217279 Pt 3.7004062010 1.7471835308 1.9507601588 Pt 3.7403079638 -0.7851084133 3.3575513055 Pt 5.8594610956 1.6262102990 3.3973981114 Pt 5.7256464661 -0.3152582995 5.1020569252 Pt 3.8205367177 1.6628111057 5.2411393143 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8882334324 3.8364912455 1.8814153148 Pt 3.8172165651 5.8843411378 1.9073356935 Pt 3.8767334855 3.8400779689 3.6259739429 Pt 5.8291961684 5.8156378809 3.6221616673 Pt 5.9173903105 3.4368061042 5.4551887603 Pt 3.6032691685 5.9209679445 5.5009849630 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9033646265 7.9574105381 1.9096408025 Pt 4.0345217582 11.0258763623 1.1206646188 Pt 3.8813870207 8.0294506594 3.5829093027 Pt 5.2954956333 10.2324156365 3.1628163018 Pt 5.7204900400 7.4994670436 5.6324198425 Pt 3.2071784456 10.3253166308 4.7313697789 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8036527950 0.1642505070 1.9499604045 Pt 7.9655678229 1.9471770141 1.8970176757 Pt 7.4365438749 -1.7127183931 3.5476258058 Pt 11.4335710337 1.0217094456 3.8044459118 Pt 9.3814199553 -0.4262843822 4.4590893213 Pt 7.8948579007 1.5755889472 5.0635214999 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0265578189 4.0303712705 1.0811001939 Pt 7.9739262007 5.9245585740 1.9298746005 Pt 7.9758225423 3.8765546973 3.6319157437 Pt 10.2366821840 5.2487947255 3.1816614343 Pt 10.2059536283 3.0783119486 4.7136061918 Pt 7.5418039262 5.5815661664 5.6489249926 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.1135426511 7.8721578963 1.3250186944 Pt 7.8132829091 11.1279981839 1.0271527431 Pt 7.8722060387 7.9113450569 3.6621174275 Pt 9.4079267086 9.5772056463 2.5772749016 Pt 9.7453996595 6.8680800039 5.0932561965 Pt 6.8128288386 9.7747189724 5.1673407282 H 2.3547650279 1.7103710863 10.4197265840 O 1.3960155333 1.8340761423 10.5316591056 H 1.3408017959 2.6426020599 11.0764813767 75 i = 48, E = -8672.1114912057 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8001421080 -1.3045720940 1.1970302293 Pt -1.3615262115 1.7359957885 1.2405054953 Pt 0.0652371806 -0.0311708097 2.6637899306 Pt 1.5831965024 1.8754357901 3.5323301110 Pt 1.8229965062 -0.1996412179 5.1265682019 Pt -0.1550662537 2.0550026769 5.4676271116 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 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5.8509603368 5.8509603372 0.0023074108 Pt 5.8874987419 3.8417184438 1.8795305910 Pt 3.8194107476 5.8837838913 1.9075946471 Pt 3.8811243710 3.8431780125 3.6252344717 Pt 5.8303986048 5.8169741067 3.6251597719 Pt 5.9204495031 3.4274089300 5.4495141799 Pt 3.6066427797 5.9133476619 5.5033002550 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9061815768 7.9529758721 1.9088478827 Pt 4.0384127669 11.0282086963 1.1111038272 Pt 3.8765821844 8.0310962458 3.5860321858 Pt 5.2950396587 10.2101261493 3.1521449696 Pt 5.7178209039 7.4936510779 5.6321171675 Pt 3.2000494727 10.3235175299 4.7267537291 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8046225422 0.1622915163 1.9553572046 Pt 7.9566182826 1.9365502867 1.8909925654 Pt 7.4353458980 -1.7238912970 3.5487653561 Pt 11.4423237368 1.0263176630 3.8123107093 Pt 9.3956714380 -0.4320106875 4.4613941015 Pt 7.9025737816 1.5684208946 5.0518039876 Pt 7.8015521922 3.9002289731 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-0.0315408800 2.6573155602 Pt 1.5657053217 1.8999307788 3.5250467550 Pt 1.7865440493 -0.1980368380 5.0765925721 Pt -0.1444954537 2.0360645477 5.4891909530 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7498864780 3.9140654388 1.9218693640 Pt -0.4804199738 5.8105863986 1.7915878188 Pt -0.8936355026 3.5218848636 3.2690344733 Pt 1.6443891386 5.9676404717 3.5592125747 Pt 1.9436340609 3.8407310972 5.4420341700 Pt -0.3401339544 5.2523126519 5.1069311439 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9165076448 7.9495887878 1.8650508872 Pt -0.1712134969 9.4563990008 2.0999916381 Pt -1.5076565935 7.2611291982 3.7827577695 Pt 1.0997356697 11.1812371498 3.5487833553 Pt 1.8907918776 7.9624097701 5.2972437423 Pt -0.2363036158 9.2395039974 4.7095144371 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8662150124 -0.5184223669 1.7388372308 Pt 3.6789311825 1.7463162182 1.9515993054 Pt 3.7513906375 -0.7976708118 3.3707798568 Pt 5.8510244820 1.6253172900 3.3768507288 Pt 5.7467016078 -0.3292575458 5.0762221066 Pt 3.8134215470 1.6489067767 5.2264377815 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8832695406 3.8422873195 1.8772754168 Pt 3.8209216408 5.8835027444 1.9079979138 Pt 3.8801510572 3.8427939357 3.6287900267 Pt 5.8303301998 5.8172247882 3.6315448845 Pt 5.9283142809 3.4122268187 5.4468398946 Pt 3.6073141562 5.9046674568 5.5078016120 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9031653464 7.9458116954 1.9092820021 Pt 4.0390050158 11.0266394532 1.1204202239 Pt 3.8635093684 8.0245118136 3.5904684997 Pt 5.2900311938 10.1970224435 3.1517050446 Pt 5.7103871138 7.4980607518 5.6349658338 Pt 3.1865634645 10.3230434904 4.7285035974 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8152972289 0.1592088163 1.9537576513 Pt 7.9559034053 1.9236389789 1.8856365796 Pt 7.4364136468 -1.7295491992 3.5509862673 Pt 11.4496560196 1.0289579999 3.8343565210 Pt 9.3980232012 -0.4470760910 4.4549700874 Pt 7.9087860150 1.5580389518 5.0396110619 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0362420588 4.0136515877 1.0640625933 Pt 7.9728161263 5.9327088163 1.9212277669 Pt 7.9641170991 3.8648645819 3.6089544913 Pt 10.2202730419 5.2370482347 3.1611627734 Pt 10.1797992808 3.0792642289 4.7119196626 Pt 7.5309462120 5.5784035757 5.6476580474 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.1008398290 7.8498789889 1.3164887426 Pt 7.8264378452 11.1106598742 1.0435958550 Pt 7.8740678468 7.9146806854 3.6585181907 Pt 9.4468961090 9.5751434316 2.5916774250 Pt 9.7462334171 6.8514948453 5.0800000985 Pt 6.8207851482 9.7796423830 5.1636190520 H 2.3441128742 1.7044445102 10.4423353661 O 1.3901357639 1.8393110385 10.5578503999 H 1.3299388981 2.6797362681 11.0545981363 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5.3521400219 Pt -0.3051718282 9.1666447583 4.7183244250 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8581486312 -0.5419121136 1.7275413940 Pt 3.6027684139 1.7391960655 1.9707222386 Pt 3.7145456382 -0.8125743048 3.3424987414 Pt 5.8174037175 1.5815714202 3.3286790558 Pt 5.7317990995 -0.3837928612 5.0321029719 Pt 3.7540236762 1.5707867108 5.1481139370 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8687449381 3.8361642113 1.8695912559 Pt 3.8187458900 5.8853895761 1.9116405180 Pt 3.8799134046 3.8366394445 3.6316273248 Pt 5.8277451544 5.8071452465 3.6398947419 Pt 5.9450644866 3.3051462176 5.4313487968 Pt 3.5822344203 5.8676104401 5.5274178863 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8721915008 7.9199911831 1.9097043179 Pt 4.0468442976 11.0220826856 1.1393732844 Pt 3.8028669999 7.9973019503 3.6176881927 Pt 5.2132752911 10.1213243445 3.1883191863 Pt 5.6754819637 7.4451336001 5.6658081824 Pt 3.0716254145 10.3449500040 4.7039142745 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.9019611161 0.1703044213 1.9042108094 Pt 7.9546167831 1.8722673310 1.8767513703 Pt 7.3690685721 -1.8304898008 3.5416452884 Pt 11.4872466497 0.9319458143 3.9249444359 Pt 9.3847655930 -0.5742104803 4.3553366475 Pt 7.9163816533 1.4493948468 4.9531035242 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0550468055 3.9926392791 1.0425838280 Pt 7.9718409873 5.9214429122 1.9163862503 Pt 7.9332316632 3.8219274745 3.5881061007 Pt 10.1962712956 5.1513745913 3.1674493315 Pt 10.1348066432 2.9883844301 4.6987234319 Pt 7.4862073009 5.5148835917 5.6596175245 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0794596166 7.8109994790 1.3437068386 Pt 7.8412101925 11.0963179594 1.0323265873 Pt 7.8614389281 7.9038896707 3.6443175938 Pt 9.4659226750 9.5676328974 2.6100025819 Pt 9.6958879822 6.7846400923 5.0638325977 Pt 6.7787318730 9.7156878078 5.1813059894 H 2.3284769821 1.7397734702 10.6105393547 O 1.3685069296 1.8429215342 10.8078503999 H 1.3390103407 2.8065930359 11.1339476767 75 i = 51, E = -8672.1159251594 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8172793120 -1.3223964580 1.1681084438 Pt -1.3535656911 1.7349878630 1.3009537481 Pt 0.1148529654 -0.0305000530 2.6590232293 Pt 1.5201740271 1.9593749767 3.5212373093 Pt 1.6993084546 -0.1840726058 4.9881355555 Pt -0.1101280355 1.9824979439 5.5423308817 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7511426762 3.9495344821 1.9185958256 Pt -0.4894742819 5.7939655323 1.8067499366 Pt -0.9292459179 3.5278356953 3.3249325315 Pt 1.6375582146 5.9744156330 3.5735517505 Pt 1.9442460055 3.8265396032 5.4556995034 Pt -0.3167381723 5.2636920766 5.1322931209 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9069455915 7.9491732229 1.8655217601 Pt -0.2191339760 9.3983278737 2.1206332588 Pt -1.5129208131 7.2397339968 3.8103618998 Pt 1.0734815341 11.1412792968 3.5091789618 Pt 1.8714762527 7.9444557754 5.3309383975 Pt -0.2542866170 9.2258859483 4.7289292317 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8654350162 -0.5362368788 1.7366684546 Pt 3.6420835659 1.7451430067 1.9668210023 Pt 3.7524582945 -0.8065279303 3.3908873887 Pt 5.8370928193 1.6044347633 3.3581407231 Pt 5.7710444119 -0.3414173048 5.0776256890 Pt 3.7934736260 1.6157139755 5.1899939872 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8714477102 3.8421011868 1.8757513600 Pt 3.8275341767 5.8858762156 1.9087405183 Pt 3.8768823307 3.8422416290 3.6361580307 Pt 5.8304716182 5.8180322497 3.6354276423 Pt 5.9389103630 3.3730331024 5.4437775163 Pt 3.6016886389 5.8905239356 5.5241624675 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8941065521 7.9423479758 1.9149301591 Pt 4.0386444109 11.0179338593 1.1318665773 Pt 3.8346421729 8.0031259428 3.6034723519 Pt 5.2665393475 10.1875655023 3.1775313877 Pt 5.6999080735 7.4864305539 5.6513867726 Pt 3.1492387682 10.3164562577 4.7221843017 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8465580035 0.1566435457 1.9677997761 Pt 7.9585763258 1.9037622547 1.8817348441 Pt 7.4377586364 -1.7647405364 3.5513008319 Pt 11.4626614468 1.0118103442 3.8749774521 Pt 9.4173425582 -0.4751122043 4.4359013579 Pt 7.9102259645 1.5221705487 5.0025547437 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0445459670 4.0028931496 1.0589271449 Pt 7.9738091440 5.9303810700 1.9257693807 Pt 7.9504800441 3.8535545083 3.5952821383 Pt 10.2297440272 5.2053735791 3.1542565548 Pt 10.1538269440 3.0554537431 4.7227726636 Pt 7.5100669363 5.5574406176 5.6535926589 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0821882312 7.8171228487 1.3182927091 Pt 7.8338559015 11.1039297823 1.0452001748 Pt 7.8795964285 7.9170943181 3.6569811080 Pt 9.4631858698 9.5641949564 2.5929211537 Pt 9.7285849074 6.8086191580 5.0748652865 Pt 6.8069423161 9.7602541724 5.1695880543 H 2.3326117991 1.7093916636 10.4969318810 O 1.3811092475 1.8476032114 10.6341408280 H 1.3146742247 2.7343655714 11.0422677098 75 i = 52, E = -8672.1172747738 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8167427388 -1.3206503006 1.1665430511 Pt -1.3540970763 1.7327564855 1.2963338457 Pt 0.1148442730 -0.0397369053 2.6539847656 Pt 1.5043508869 1.9733525590 3.5195360568 Pt 1.6786824071 -0.1894175466 4.9814211574 Pt -0.1088833769 1.9606785209 5.5553092251 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7624927673 3.9512448939 1.9123761489 Pt -0.4935543688 5.7909682268 1.8041583819 Pt -0.9346651701 3.5136053310 3.3081164023 Pt 1.6455324332 5.9789923890 3.5666276577 Pt 1.9494319786 3.8238010673 5.4685615777 Pt -0.3122416431 5.2436280669 5.1174435490 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9104725962 7.9507824993 1.8630509643 Pt -0.2380536724 9.3727128964 2.1312704584 Pt -1.5259849527 7.2241141079 3.8148337644 Pt 1.0529509772 11.1359832546 3.4982815524 Pt 1.8684175569 7.9451959779 5.3282880134 Pt -0.2654576846 9.2163107948 4.7351003840 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8657658525 -0.5428435808 1.7354425212 Pt 3.6317437113 1.7413558171 1.9692023950 Pt 3.7381154065 -0.7973389735 3.3845394664 Pt 5.8286105981 1.6033699761 3.3511218883 Pt 5.7692184292 -0.3448758622 5.0692661714 Pt 3.7833683626 1.5990480585 5.1783678995 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8691853747 3.8373323331 1.8755611708 Pt 3.8272982185 5.8835956069 1.9054425009 Pt 3.8774103432 3.8423945731 3.6409067822 Pt 5.8291882172 5.8140913041 3.6318074374 Pt 5.9359627866 3.3562989743 5.4427315950 Pt 3.5952764272 5.8922390781 5.5299802914 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8916573091 7.9431446464 1.9146798791 Pt 4.0378080395 11.0174395627 1.1347738225 Pt 3.8367361034 8.0028098079 3.6034754988 Pt 5.2533889434 10.1814012306 3.1816282787 Pt 5.6997093530 7.4723747164 5.6547750796 Pt 3.1304522558 10.3171470992 4.7148104330 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8508979160 0.1736751113 1.9523319135 Pt 7.9555029657 1.9019935346 1.8841689524 Pt 7.4329380470 -1.7744347916 3.5529576356 Pt 11.4733455856 0.9950632244 3.8799775506 Pt 9.4049047967 -0.4992683221 4.4314365418 Pt 7.9092126366 1.5078774691 4.9911310451 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0378909530 4.0082478524 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-0.1895106383 4.9056165937 Pt -0.0792375599 1.8830838241 5.5982056729 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7876585972 3.9792610693 1.8934574838 Pt -0.5070168433 5.7779316243 1.8112470564 Pt -0.9682589613 3.5091011962 3.3296440885 Pt 1.6554521950 5.9913491226 3.5569836928 Pt 1.9534548181 3.8138438217 5.5080285138 Pt -0.2821873466 5.2412195285 5.1074286328 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9084564633 7.9629423185 1.8566877235 Pt -0.2996164129 9.2821182967 2.1799660870 Pt -1.5390546946 7.2054140951 3.8265393249 Pt 1.0236244587 11.0842784891 3.4524549815 Pt 1.8537235816 7.9346925238 5.3407994254 Pt -0.2911040179 9.2012281031 4.7762046167 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8638161511 -0.5696357751 1.7294546175 Pt 3.5925762606 1.7338731661 1.9828579943 Pt 3.7256819766 -0.7919034791 3.3934318294 Pt 5.8074086373 1.5879218412 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11.4909470141 0.9758069405 3.9108932296 Pt 9.4180619328 -0.5387536920 4.4093467656 Pt 7.9098780275 1.4670392035 4.9483911758 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0320036479 4.0062806475 1.0411504745 Pt 7.9772500487 5.9193562123 1.9167141940 Pt 7.9408736589 3.8410388416 3.5873339439 Pt 10.2251661350 5.1866841523 3.1635956801 Pt 10.1339421511 3.0156927858 4.7059450424 Pt 7.4828084025 5.4960306968 5.6622825923 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0626176840 7.7962847744 1.3387171874 Pt 7.8310224091 11.1160203706 1.0186125712 Pt 7.8767568360 7.8917470508 3.6462343996 Pt 9.4455080791 9.5688599435 2.5963861434 Pt 9.6916050964 6.7676210901 5.0879007145 Pt 6.7880685653 9.7094960073 5.1872979514 H 2.3280731692 1.7393768485 10.5899362136 O 1.3743085222 1.8481508018 10.7589194674 H 1.3070244418 2.7982912354 11.0305484090 75 i = 54, E = -8672.1203088020 Pt -0.0014044828 -0.0014044832 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3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8598471271 -0.5663664358 1.7360826489 Pt 3.5924526563 1.7325643406 1.9884340540 Pt 3.7268641422 -0.7959442117 3.4101714407 Pt 5.8096571559 1.5861049190 3.3338558355 Pt 5.8008222325 -0.3523194157 5.0628873046 Pt 3.7529179160 1.5464199606 5.1376284025 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8608638338 3.8304606356 1.8768207003 Pt 3.8392502813 5.8827299803 1.8975930457 Pt 3.8734806460 3.8431810167 3.6607219844 Pt 5.8338779903 5.8134385856 3.6239472068 Pt 5.9245867596 3.3039664202 5.4403949989 Pt 3.5795707762 5.8968213492 5.5513670315 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8899906277 7.9531518168 1.9184417988 Pt 4.0363042325 11.0106149719 1.1455334492 Pt 3.8409111395 7.9941668572 3.6076778678 Pt 5.2371284794 10.1864247597 3.2123418620 Pt 5.7021870128 7.4401659830 5.6687469275 Pt 3.0936071868 10.3008750237 4.6989790079 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8741686133 0.2047395915 1.9707255090 Pt 7.9513570024 1.8956240808 1.8888121275 Pt 7.4295068514 -1.8086824372 3.5528000406 Pt 11.4960091572 0.9746026528 3.9010111241 Pt 9.4224031748 -0.5226676654 4.4159032695 Pt 7.9107559116 1.4793136102 4.9562380417 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0341965301 4.0090348736 1.0429154853 Pt 7.9766936726 5.9190224317 1.9180725292 Pt 7.9467815988 3.8432700371 3.5866900704 Pt 10.2294220597 5.1901807613 3.1647352808 Pt 10.1410012983 3.0165302646 4.7049681527 Pt 7.4824636143 5.4868961621 5.6614516364 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0629704528 7.7997973867 1.3284518157 Pt 7.8285945006 11.1222898768 1.0150245067 Pt 7.8791882524 7.8917636230 3.6498447967 Pt 9.4332487804 9.5722250792 2.5981682481 Pt 9.6935773736 6.7660552254 5.0984935676 Pt 6.7877779313 9.7112495449 5.1859162603 H 2.3309431831 1.7423650345 10.5783319941 O 1.3757940059 1.8505204222 10.7418309368 H 1.3062174327 2.7872624544 11.0200178799 75 i = 55, E = -8672.1213892488 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8116266594 -1.3250114857 1.1583377211 Pt -1.3588082665 1.7296657506 1.2845967533 Pt 0.1246857227 -0.0276239175 2.6508416102 Pt 1.4431928920 2.0372717858 3.5247655352 Pt 1.5993264058 -0.1894962287 4.9373450805 Pt -0.0799715259 1.8656020521 5.5824878073 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8018961236 3.9702249995 1.8907834579 Pt -0.5085329480 5.7772781574 1.8107686056 Pt -0.9800288244 3.5069449027 3.3317721600 Pt 1.6808450418 5.9969403598 3.5276986780 Pt 1.9440761418 3.8024787222 5.5174803388 Pt -0.2610646939 5.2723676059 5.0679349834 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9322243591 7.9860447030 1.8546028104 Pt -0.2980614609 9.2205127331 2.2542811120 Pt -1.5577798109 7.2426692322 3.8290922867 Pt 1.0198380964 11.0928681139 3.4476079599 Pt 1.8562533443 7.9361821538 5.3229138516 Pt -0.2840408195 9.2342883000 4.8332486039 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8556320689 -0.5766181621 1.7307513652 Pt 3.5824730570 1.7299561110 1.9955688952 Pt 3.7274300243 -0.8005059615 3.4219936322 Pt 5.8069455059 1.5812885467 3.3344968791 Pt 5.8132764456 -0.3523858408 5.0649227151 Pt 3.7410128988 1.5338002351 5.1276181704 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8584694444 3.8289319440 1.8815444363 Pt 3.8518313845 5.8836264201 1.8942924255 Pt 3.8722721286 3.8471146772 3.6659817399 Pt 5.8407421963 5.8164433063 3.6203052777 Pt 5.9141770253 3.2875410038 5.4409082766 Pt 3.5720574580 5.9000363761 5.5522465344 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8964335710 7.9583303876 1.9175124632 Pt 4.0304000645 11.0057975271 1.1449463388 Pt 3.8500631244 7.9916141743 3.6067353886 Pt 5.2390795958 10.1989620610 3.2136871661 Pt 5.7093376761 7.4304725390 5.6706094623 Pt 3.0926787766 10.2936748204 4.6982659395 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8757072794 0.2186538124 1.9802909039 Pt 7.9477272412 1.8998845737 1.8865606913 Pt 7.4397878335 -1.8075921569 3.5459863718 Pt 11.4994346418 0.9904942583 3.9020821383 Pt 9.4282585094 -0.5136712414 4.4134177614 Pt 7.9135788320 1.4796326553 4.9512200934 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0349262446 4.0077532999 1.0485438008 Pt 7.9745139220 5.9134613560 1.9165233831 Pt 7.9464320355 3.8466869110 3.5873445119 Pt 10.2301656083 5.2046552401 3.1611082479 Pt 10.1390730651 3.0305114570 4.7082462768 Pt 7.4769751788 5.4654634491 5.6677065049 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0455021077 7.7951520270 1.3117555691 Pt 7.8281104226 11.1210921980 1.0163816769 Pt 7.8829473738 7.8840566814 3.6508310917 Pt 9.4275207462 9.5804499608 2.6079505936 Pt 9.6944439720 6.7602752706 5.1053256526 Pt 6.7924803837 9.7084812500 5.1827008465 H 2.3350918331 1.7408854010 10.5833347102 O 1.3839663379 1.8537477557 10.7398722787 H 1.2909950078 2.7948456206 10.9760561967 75 i = 56, E = -8672.1219320569 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.8040202671 -1.3342088836 1.1632779199 Pt -1.3668626976 1.7305594847 1.2733744420 Pt 0.1265224163 -0.0293587208 2.6415076115 Pt 1.4245152431 2.0393222902 3.5289529421 Pt 1.5838527535 -0.2004986541 4.9302676233 Pt -0.0830319741 1.8395382915 5.5961102369 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8048991052 3.9682835659 1.8924714839 Pt -0.5062132321 5.7738984604 1.8228046593 Pt -0.9918231066 3.4961526137 3.3447931274 Pt 1.6932789387 6.0064078989 3.5118518325 Pt 1.9377880976 3.7888323453 5.5195348757 Pt -0.2462400962 5.2809594415 5.0495621105 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9461498297 7.9987104249 1.8523048666 Pt -0.3188535227 9.1525522895 2.3091912207 Pt -1.5676387569 7.2554422147 3.8359443240 Pt 0.9925824441 11.0869113926 3.4337574076 Pt 1.8532600067 7.9320014713 5.3216445667 Pt -0.2935335069 9.2444843426 4.8828699027 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8485098606 -0.5783142183 1.7344796682 Pt 3.5714999340 1.7223671210 2.0064044225 Pt 3.7274275913 -0.8145775757 3.4408608451 Pt 5.8043784928 1.5692049879 3.3308963652 Pt 5.8278603555 -0.3599732281 5.0696876046 Pt 3.7280154811 1.5172624529 5.1097914209 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8567131038 3.8245626424 1.8838878369 Pt 3.8625245979 5.8840301249 1.8903500423 Pt 3.8726785585 3.8511087031 3.6712787088 Pt 5.8507210007 5.8173365949 3.6210300692 Pt 5.9049786489 3.2572056335 5.4422144957 Pt 3.5614896400 5.8976933343 5.5522331888 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9008912345 7.9641400427 1.9217400430 Pt 4.0301920105 11.0040490869 1.1401678635 Pt 3.8550887554 7.9942484452 3.6141097478 Pt 5.2308402517 10.2076192614 3.2237368409 Pt 5.7103113469 7.4171525152 5.6778252945 Pt 3.0719256158 10.2923448974 4.6992331957 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8813509728 0.2273955535 1.9828764224 Pt 7.9429359691 1.8998758470 1.8871188225 Pt 7.4410420092 -1.8179102329 3.5443438066 Pt 11.5052457815 0.9842675553 3.9102692339 Pt 9.4332759334 -0.5130968734 4.4021784450 Pt 7.9156967226 1.4742357424 4.9455170868 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0349314337 4.0102220603 1.0524704576 Pt 7.9745645927 5.9092380163 1.9138465060 Pt 7.9475792000 3.8405089514 3.5871014610 Pt 10.2320296977 5.2089454353 3.1620875606 Pt 10.1396553795 3.0265331345 4.7154836678 Pt 7.4661740288 5.4305460478 5.6788972920 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0353344409 7.7881644224 1.2968202137 Pt 7.8262391447 11.1197243917 1.0120870937 Pt 7.8845236336 7.8747384206 3.6536369691 Pt 9.4231002830 9.5871633351 2.6227754353 Pt 9.6816804768 6.7469220128 5.1201354486 Pt 6.7847069693 9.6998770215 5.1789253385 H 2.3411028451 1.7499092560 10.6034568266 O 1.3876120606 1.8533692357 10.7740404339 H 1.2802982584 2.8121835181 10.9456048119 75 i = 57, E = -8672.1225348655 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7998483696 -1.3425995466 1.1708984158 Pt -1.3724795325 1.7260668171 1.2725001996 Pt 0.1123397220 -0.0356223816 2.6476369215 Pt 1.4254686507 2.0189237936 3.5232704132 Pt 1.5919522755 -0.2188868443 4.9242018166 Pt -0.0992172530 1.8490265197 5.5939079236 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7952436588 3.9601531027 1.8978493852 Pt -0.5050519560 5.7744266435 1.8224883945 Pt -0.9844454564 3.4842425364 3.3350192502 Pt 1.6909372788 6.0068923540 3.5128264414 Pt 1.9360032869 3.7794165653 5.5038994741 Pt -0.2533967486 5.2656749404 5.0497422967 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9450442141 8.0004169458 1.8531998741 Pt -0.3146865922 9.1455030152 2.3135124895 Pt -1.5725548187 7.2420333910 3.8415466781 Pt 0.9738215093 11.0726252032 3.4396338547 Pt 1.8516976987 7.9320046394 5.3241857000 Pt -0.2975127101 9.2435767774 4.8888341954 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8488842486 -0.5761500846 1.7303236313 Pt 3.5765997457 1.7189062059 2.0061232393 Pt 3.7299521346 -0.8243763118 3.4286816341 Pt 5.8085231036 1.5641524760 3.3331660216 Pt 5.8162920098 -0.3687990699 5.0695253958 Pt 3.7272372034 1.5212196421 5.1069752407 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8587239264 3.8216860819 1.8833876144 Pt 3.8617363095 5.8832769358 1.8910098386 Pt 3.8756010035 3.8505807846 3.6660535528 Pt 5.8547917713 5.8154269901 3.6221861434 Pt 5.9042369316 3.2492823292 5.4438745638 Pt 3.5586271679 5.8901202968 5.5426865452 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.9000964366 7.9620402076 1.9229714199 Pt 4.0305987651 11.0096553910 1.1310824445 Pt 3.8547920913 7.9966332440 3.6211043009 Pt 5.2204849867 10.2061032057 3.2152103959 Pt 5.7102359943 7.4156322297 5.6770805028 Pt 3.0644422283 10.3024383992 4.7011255727 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8833381608 0.2206755862 1.9659987801 Pt 7.9443138157 1.8965496029 1.8858325617 Pt 7.4316521408 -1.8201680020 3.5408076626 Pt 11.4964835682 0.9768498538 3.9076430909 Pt 9.4265042347 -0.5164605627 4.3920778776 Pt 7.9179938213 1.4725124169 4.9507036153 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0370454417 4.0105847275 1.0540597481 Pt 7.9749549039 5.9084153000 1.9133326973 Pt 7.9498272560 3.8347925133 3.5901952404 Pt 10.2296749854 5.2122480884 3.1641034730 Pt 10.1442396203 3.0304996978 4.7193757200 Pt 7.4633988673 5.4240392851 5.6840101680 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0351147914 7.7958574184 1.2934164013 Pt 7.8273043240 11.1135091867 1.0156123375 Pt 7.8843354190 7.8772243878 3.6512634799 Pt 9.4276741288 9.5947591565 2.6352725498 Pt 9.6759363969 6.7505932840 5.1218002559 Pt 6.7780691139 9.6982737798 5.1729692136 H 2.3473789359 1.7540780220 10.6115581516 O 1.3945419129 1.8547924848 10.7855817396 H 1.2783189161 2.8112207052 10.9485312932 75 i = 58, E = -8672.1230587246 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7952804556 -1.3508355710 1.1805125826 Pt -1.3753185595 1.7203361042 1.2762537771 Pt 0.1054060751 -0.0530399088 2.6473262247 Pt 1.4176987086 2.0088819642 3.5205857997 Pt 1.5808534758 -0.2363362958 4.9035508471 Pt -0.1036604002 1.8460675866 5.5966864533 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7907559448 3.9572929931 1.8998041695 Pt -0.5087632140 5.7705421484 1.8244616042 Pt -0.9796770732 3.4664116338 3.3300041972 Pt 1.6830938211 6.0022063983 3.5169921033 Pt 1.9401823298 3.7631363396 5.4898745522 Pt -0.2575118108 5.2451456135 5.0558153249 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9486871412 7.9950862928 1.8562326322 Pt -0.3265555613 9.1172442944 2.3281260026 Pt -1.5823535178 7.2212700466 3.8600130794 Pt 0.9419834331 11.0553608317 3.4348675567 Pt 1.8410884862 7.9261516376 5.3303821487 Pt -0.3142935149 9.2309199661 4.9034025886 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8532820951 -0.5824074194 1.7237732472 Pt 3.5701928519 1.7184795070 2.0064786362 Pt 3.7309695689 -0.8248333831 3.4129081088 Pt 5.8071516208 1.5557564697 3.3282048358 Pt 5.8075460248 -0.3820548539 5.0647823152 Pt 3.7197976639 1.5217417933 5.0965116026 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8610274815 3.8193091139 1.8839343027 Pt 3.8626827659 5.8822794719 1.8927279879 Pt 3.8819639921 3.8519031769 3.6618723258 Pt 5.8587402926 5.8143381960 3.6238673502 Pt 5.9056471186 3.2298533795 5.4493548795 Pt 3.5553233375 5.8768087153 5.5382472233 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8955485434 7.9596724681 1.9234422406 Pt 4.0266971698 11.0152677364 1.1196871588 Pt 3.8483589259 7.9914929346 3.6334722307 Pt 5.1953189169 10.1980817176 3.2048790799 Pt 5.7054927744 7.4037997315 5.6817935179 Pt 3.0400477515 10.3115766489 4.6950790601 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8865217019 0.2091290077 1.9532542091 Pt 7.9456081103 1.8888431615 1.8851165324 Pt 7.4281048289 -1.8356234277 3.5401018279 Pt 11.4898356455 0.9652579906 3.9128819871 Pt 9.4207448070 -0.5352594728 4.3800892870 Pt 7.9207046845 1.4567991011 4.9439114373 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0394315178 4.0111585309 1.0528664886 Pt 7.9755905842 5.9073237742 1.9142163039 Pt 7.9494878576 3.8291022358 3.5896499659 Pt 10.2219512137 5.2042674887 3.1662297826 Pt 10.1455398609 3.0239396856 4.7200884729 Pt 7.4490236449 5.4068439769 5.6947858949 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0341743759 7.7978735380 1.2949602521 Pt 7.8283468959 11.1116341460 1.0154924063 Pt 7.8834512098 7.8838283820 3.6478115940 Pt 9.4331761890 9.5989934329 2.6366467239 Pt 9.6573268903 6.7391975087 5.1245311106 Pt 6.7586393745 9.6893769555 5.1706942185 H 2.3535107876 1.7660496230 10.6399895213 O 1.4019987087 1.8579538902 10.8255194046 H 1.2760109744 2.8229685325 10.9530171464 75 i = 59, E = -8672.1236217987 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7882421195 -1.3586084054 1.1906109923 Pt -1.3787186678 1.7182537906 1.2766021579 Pt 0.0896983792 -0.0644082782 2.6494405015 Pt 1.4142945643 1.9962243715 3.5117638440 Pt 1.5771213735 -0.2530011011 4.8969617979 Pt -0.1049532327 1.8401701157 5.5902129323 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7911899635 3.9523103589 1.9008266726 Pt -0.5103738826 5.7708448905 1.8309138161 Pt -0.9786898752 3.4597166520 3.3283072670 Pt 1.6774420192 5.9965575983 3.5175134397 Pt 1.9416175974 3.7555094064 5.4808310301 Pt -0.2597439087 5.2364332549 5.0595227314 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9521188171 7.9911480070 1.8550982823 Pt -0.3334637020 9.0848386685 2.3448365674 Pt -1.5942670410 7.2100182765 3.8714944057 Pt 0.9093740514 11.0392931988 3.4327932460 Pt 1.8343729401 7.9189230216 5.3324286344 Pt -0.3297079369 9.2142883271 4.9193437678 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8593410160 -0.5840019762 1.7224811676 Pt 3.5695064605 1.7152070478 2.0059575127 Pt 3.7326926375 -0.8215562057 3.4020260489 Pt 5.8082056810 1.5513831648 3.3234540532 Pt 5.8068749469 -0.3918190104 5.0630134104 Pt 3.7184862948 1.5170777150 5.0896647150 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8643867298 3.8171210497 1.8840907555 Pt 3.8599011180 5.8803871019 1.8938554634 Pt 3.8884452937 3.8477922687 3.6617599200 Pt 5.8628428383 5.8142020044 3.6220401135 Pt 5.9065547808 3.2128591646 5.4549658490 Pt 3.5537220439 5.8679695831 5.5355061858 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8904044469 7.9592709566 1.9222133639 Pt 4.0255308274 11.0188967899 1.1059025056 Pt 3.8455274987 7.9872984861 3.6435907664 Pt 5.1812278265 10.1966409805 3.1995966863 Pt 5.7000249686 7.3945302635 5.6865973753 Pt 3.0171521957 10.3141319182 4.6857903705 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8824447302 0.1974029851 1.9427828927 Pt 7.9499646284 1.8849202745 1.8878217298 Pt 7.4217301333 -1.8491795851 3.5433278621 Pt 11.4844462091 0.9534789393 3.9096617159 Pt 9.4145896437 -0.5457103570 4.3806302293 Pt 7.9235053974 1.4498432957 4.9407828027 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0398303784 4.0139986728 1.0559162520 Pt 7.9780038382 5.9088858542 1.9141443257 Pt 7.9504566110 3.8256785628 3.5887974533 Pt 10.2177990368 5.2013719886 3.1739224404 Pt 10.1496886517 3.0188773051 4.7189970693 Pt 7.4351393224 5.3907551482 5.7035026030 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0337966358 7.7962876991 1.2941354280 Pt 7.8269643301 11.1127753505 1.0098524037 Pt 7.8810470037 7.8884480678 3.6413873371 Pt 9.4407951976 9.6016615981 2.6353116619 Pt 9.6327788564 6.7338538757 5.1306357070 Pt 6.7370195711 9.6837735611 5.1643092567 H 2.3589528698 1.7799627299 10.6584829511 O 1.4079791103 1.8624386663 10.8526567031 H 1.2741993902 2.8265104042 10.9526794998 75 i = 60, E = -8672.1242213719 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7656263375 -1.3829309851 1.2262050824 Pt -1.3915663343 1.7128720930 1.2712692378 Pt 0.0435326552 -0.1071033148 2.6470814936 Pt 1.3915325703 1.9610802025 3.4830366961 Pt 1.5608449422 -0.3140967620 4.8666147618 Pt -0.1114712771 1.8090868084 5.5691379298 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7980359735 3.9417011095 1.9035585159 Pt -0.5204970248 5.7666930532 1.8473983818 Pt -0.9796569847 3.4364521720 3.3273216329 Pt 1.6660638183 5.9832718147 3.5181475865 Pt 1.9451754399 3.7216624714 5.4575976005 Pt -0.2675458419 5.2004482788 5.0666536419 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9582166643 7.9840714796 1.8534269706 Pt -0.3617123926 8.9600745791 2.4005576665 Pt -1.6470916604 7.1593064856 3.9144532493 Pt 0.7910521485 10.9823158648 3.4173382961 Pt 1.8090762966 7.8926049707 5.3452524535 Pt -0.3800787677 9.1589884710 4.9795288419 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8717838813 -0.6004939904 1.7157351679 Pt 3.5616562947 1.7039738858 2.0075111615 Pt 3.7316252635 -0.8128706164 3.3648007193 Pt 5.8105696939 1.5305879383 3.3125066444 Pt 5.8024211668 -0.4222334621 5.0517789012 Pt 3.7034234613 1.4891573632 5.0618233360 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8730836127 3.8120489072 1.8849195145 Pt 3.8546774154 5.8738502685 1.8976655596 Pt 3.9129351822 3.8337193515 3.6648332646 Pt 5.8774228859 5.8174984135 3.6148967955 Pt 5.9041069254 3.1445384357 5.4718312743 Pt 3.5425800941 5.8399777139 5.5318357832 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8686593596 7.9562598188 1.9196761362 Pt 4.0201068428 11.0276964965 1.0683399504 Pt 3.8343935487 7.9740079492 3.6729913431 Pt 5.1228215344 10.1927534770 3.1854516007 Pt 5.6866167450 7.3590868500 5.7025747820 Pt 2.9411765469 10.3251832903 4.6457423426 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8750731125 0.1548816312 1.9206617629 Pt 7.9583920978 1.8746623232 1.8966485392 Pt 7.4068388531 -1.8983225824 3.5400379862 Pt 11.4622907839 0.9166517136 3.9034888321 Pt 9.4002181419 -0.5811105210 4.3634876962 Pt 7.9299351103 1.4246599796 4.9273057119 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0331835497 4.0175915452 1.0687414018 Pt 7.9850002762 5.9078242353 1.9129025313 Pt 7.9521709860 3.8094777962 3.5913192251 Pt 10.2028967390 5.1920068648 3.2017717535 Pt 10.1603538978 2.9968431042 4.7146965599 Pt 7.3836834688 5.3296567525 5.7268237141 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0207559609 7.7833312090 1.2881332433 Pt 7.8260880704 11.1111260547 0.9942195674 Pt 7.8710497124 7.9057925759 3.6128491203 Pt 9.4575007912 9.6118289963 2.6358108153 Pt 9.5566844699 6.7175713731 5.1505315516 Pt 6.6667208082 9.6555246836 5.1524055465 H 2.3862132463 1.8230367073 10.7306809602 O 1.4397055750 1.8864643599 10.9564745383 H 1.2624080696 2.8551200784 10.9443406774 75 i = 61, E = -8672.1246949147 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7656430497 -1.3810839383 1.2303213795 Pt -1.3900846646 1.7152385619 1.2694743136 Pt 0.0443819340 -0.1053350203 2.6465838697 Pt 1.4009758037 1.9565666812 3.4817455621 Pt 1.5721311602 -0.3139357475 4.8766611720 Pt -0.1104674512 1.8121338997 5.5602836917 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8010470736 3.9427219879 1.9026740489 Pt -0.5189135340 5.7683408618 1.8468101386 Pt -0.9787345874 3.4431966582 3.3267461205 Pt 1.6614397220 5.9793938934 3.5228979392 Pt 1.9446318570 3.7251872105 5.4548042583 Pt -0.2662994654 5.2027773681 5.0748450318 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9588455785 7.9786244759 1.8570491721 Pt -0.3547062374 8.9770243421 2.3877328962 Pt -1.6494845702 7.1578918418 3.9182057382 Pt 0.7886743839 10.9914922726 3.4220150081 Pt 1.8103063558 7.8898576176 5.3442299877 Pt -0.3784606815 9.1532001901 4.9597116176 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8716732487 -0.5996561163 1.7181942642 Pt 3.5660810833 1.7083059330 2.0042983573 Pt 3.7304206702 -0.8087621729 3.3644951998 Pt 5.8118021374 1.5332178022 3.3115953933 Pt 5.8025823136 -0.4161058922 5.0511867715 Pt 3.7079478515 1.4905692354 5.0689428938 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8752145281 3.8157693973 1.8845559659 Pt 3.8547430485 5.8712258284 1.8999966077 Pt 3.9158334154 3.8340330737 3.6653864594 Pt 5.8754212928 5.8251785307 3.6135588912 Pt 5.9037087478 3.1481710971 5.4718815779 Pt 3.5414430993 5.8443366747 5.5320026697 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8655518065 7.9571658729 1.9164786468 Pt 4.0186385732 11.0263634239 1.0642494461 Pt 3.8306059389 7.9739297903 3.6669515063 Pt 5.1221431336 10.1962160791 3.1815847950 Pt 5.6838020683 7.3590235963 5.7046346516 Pt 2.9390292455 10.3270335102 4.6358713839 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8655507120 0.1487220758 1.9239863066 Pt 7.9620287399 1.8787519156 1.8955128085 Pt 7.4086626026 -1.8957738521 3.5384820569 Pt 11.4578022015 0.9190565036 3.8969554678 Pt 9.4006908354 -0.5800568913 4.3686185966 Pt 7.9279741736 1.4265552187 4.9295873256 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0305962387 4.0151054601 1.0708506972 Pt 7.9844053582 5.9077321405 1.9136535913 Pt 7.9481757927 3.8151058838 3.5970342108 Pt 10.1954945726 5.1809145848 3.1974578097 Pt 10.1571026761 2.9897399610 4.7148125312 Pt 7.3812163110 5.3372100620 5.7232556923 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0209105587 7.7786282617 1.2897369055 Pt 7.8279017256 11.1112201123 0.9980314614 Pt 7.8687357674 7.9097099325 3.6106184365 Pt 9.4581256872 9.6063416462 2.6310451020 Pt 9.5507056295 6.7189060821 5.1451531648 Pt 6.6592129843 9.6631014881 5.1507493582 H 2.3877652140 1.8239092342 10.7228281482 O 1.4427675084 1.8947374775 10.9441998372 H 1.2681778031 2.8467720138 10.9603359651 75 i = 62, E = -8672.1252187142 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7674890838 -1.3810537667 1.2352630306 Pt -1.3870017178 1.7158916013 1.2649954245 Pt 0.0342526805 -0.0994336973 2.6421462607 Pt 1.3955409761 1.9513771607 3.4823344143 Pt 1.5739093112 -0.3240544054 4.8765155434 Pt -0.1124801487 1.7978830535 5.5520788362 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8071154423 3.9433664795 1.9026229700 Pt -0.5241062429 5.7646900692 1.8455381657 Pt -0.9837604692 3.4408878366 3.3237505332 Pt 1.6645493296 5.9789933963 3.5223147008 Pt 1.9423602112 3.7133504808 5.4562420967 Pt -0.2584079669 5.2008731471 5.0683022990 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9579696546 7.9822169128 1.8559956602 Pt -0.3623722319 8.9603349609 2.3947704139 Pt -1.6624707515 7.1496318477 3.9250359982 Pt 0.7666324693 10.9858128401 3.4169776453 Pt 1.8083550768 7.8879150024 5.3442981261 Pt -0.3805580913 9.1486458549 4.9593837583 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8670326801 -0.6076938501 1.7166878011 Pt 3.5613488014 1.7101539960 2.0084312557 Pt 3.7226847138 -0.8093337146 3.3633694569 Pt 5.8081856862 1.5285750752 3.3086546521 Pt 5.8036558720 -0.4182059345 5.0426296532 Pt 3.6990517749 1.4781228866 5.0648096181 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8743351057 3.8165179447 1.8866719741 Pt 3.8603960732 5.8683831445 1.9002394242 Pt 3.9198997417 3.8364526393 3.6722051518 Pt 5.8789677225 5.8358293691 3.6111897836 Pt 5.8944619629 3.1316672128 5.4764815451 Pt 3.5327669853 5.8452447659 5.5371867506 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8588786233 7.9617358266 1.9124268402 Pt 4.0150848489 11.0216222245 1.0609116923 Pt 3.8255332705 7.9748167109 3.6644902500 Pt 5.1153265641 10.1997739049 3.1853353052 Pt 5.6807435421 7.3539457487 5.7098705852 Pt 2.9229414887 10.3321829244 4.6217769180 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8628117614 0.1497656254 1.9243005011 Pt 7.9624911420 1.8799907577 1.8934698859 Pt 7.4059232188 -1.8996679153 3.5331507703 Pt 11.4531399319 0.9167665982 3.8887055660 Pt 9.4006663618 -0.5841363100 4.3616650081 Pt 7.9259003594 1.4195681408 4.9262862460 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0279500343 4.0112430819 1.0797002746 Pt 7.9822045673 5.9008758732 1.9116151280 Pt 7.9400277314 3.8124866835 3.6049766849 Pt 10.1845852003 5.1709270279 3.2012159111 Pt 10.1485559925 2.9816652452 4.7153365285 Pt 7.3735554975 5.3226987029 5.7218347836 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0115779080 7.7703987453 1.2884882519 Pt 7.8285306142 11.1098153857 0.9989816359 Pt 7.8637275320 7.9086725018 3.6008550230 Pt 9.4569717112 9.6068367663 2.6451653349 Pt 9.5361810678 6.7222882498 5.1425395974 Pt 6.6537544676 9.6576904548 5.1500027742 H 2.3956525439 1.8338956971 10.7315032280 O 1.4486888065 1.8973809087 10.9667169077 H 1.2690163635 2.8570698734 10.9525188278 75 i = 63, E = -8672.1256538460 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7662243471 -1.3864659983 1.2466729816 Pt -1.3912914468 1.7165847296 1.2565724078 Pt 0.0251914089 -0.0994029383 2.6363228855 Pt 1.3873413495 1.9461786057 3.4776751785 Pt 1.5642372478 -0.3429582964 4.8651360427 Pt -0.1182377177 1.7740020978 5.5412378348 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8112526993 3.9432263176 1.9066485629 Pt -0.5288104583 5.7593999647 1.8487768014 Pt -0.9924421176 3.4392469777 3.3312035131 Pt 1.6694337416 5.9801634088 3.5175289470 Pt 1.9371980220 3.6943685088 5.4547757450 Pt -0.2512346235 5.1958049446 5.0603279488 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9533671512 7.9861964771 1.8511790437 Pt -0.3832455677 8.9247028411 2.3968716663 Pt -1.6814804490 7.1288450122 3.9333280048 Pt 0.7198736710 10.9771210874 3.4035194297 Pt 1.8034902596 7.8897190435 5.3457071713 Pt -0.3903633001 9.1365343958 4.9662770617 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8619730999 -0.6154748913 1.7128096434 Pt 3.5540450998 1.7120111514 2.0124880651 Pt 3.7180411069 -0.8146497839 3.3546146602 Pt 5.8073231773 1.5194257284 3.3016357520 Pt 5.8034185875 -0.4250183680 5.0317377629 Pt 3.6889816715 1.4548451107 5.0528767571 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8697460415 3.8186580111 1.8905118907 Pt 3.8627325221 5.8662384242 1.9003737064 Pt 3.9280672387 3.8392170023 3.6848939703 Pt 5.8846984438 5.8483996939 3.6081428957 Pt 5.8840201344 3.0995044004 5.4858123386 Pt 3.5175954212 5.8420898647 5.5458892267 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8467070660 7.9665797710 1.9078371497 Pt 4.0105356378 11.0192619440 1.0554560387 Pt 3.8169223076 7.9764771327 3.6664715198 Pt 5.1012237599 10.2024476556 3.1877465440 Pt 5.6717374057 7.3477075108 5.7200319534 Pt 2.8945726185 10.3410503171 4.5996927604 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8607927069 0.1457756914 1.9170350098 Pt 7.9599108465 1.8846283304 1.8963774052 Pt 7.4012403573 -1.9140165835 3.5242201000 Pt 11.4416494534 0.9130306257 3.8804787918 Pt 9.4000275085 -0.5984349318 4.3479783596 Pt 7.9218462959 1.4033505386 4.9193903863 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0210716922 4.0111835130 1.0889990638 Pt 7.9781934813 5.8929209270 1.9057047960 Pt 7.9255414499 3.8041333303 3.6152433259 Pt 10.1685703683 5.1601311019 3.2125846949 Pt 10.1375659888 2.9698365655 4.7146802872 Pt 7.3540982939 5.2993843410 5.7263590365 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9977869361 7.7627757850 1.2880478063 Pt 7.8307401009 11.1043014040 0.9984277369 Pt 7.8512839977 7.9080309146 3.5831964961 Pt 9.4589433817 9.6155684969 2.6568637713 Pt 9.5097794389 6.7225278639 5.1377087478 Pt 6.6414979810 9.6459863833 5.1446216664 H 2.4072835217 1.8475880401 10.7582272480 O 1.4686612900 1.9169784749 10.9916944887 H 1.2656608461 2.8728472721 10.9450937490 75 i = 64, E = -8672.1261060029 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7629058441 -1.3863290775 1.2567065515 Pt -1.3912351795 1.7203880664 1.2501502191 Pt 0.0210813488 -0.0997899161 2.6333505323 Pt 1.3839346698 1.9416624263 3.4771630889 Pt 1.5590358651 -0.3551988953 4.8571780412 Pt -0.1256901881 1.7572768320 5.5397809894 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8112593129 3.9410124515 1.9089203851 Pt -0.5300626518 5.7568749704 1.8508710326 Pt -0.9979736603 3.4345047981 3.3357146692 Pt 1.6712468753 5.9837616021 3.5144939747 Pt 1.9383557310 3.6818908738 5.4542119489 Pt -0.2463258028 5.1906150970 5.0581381726 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9482494608 7.9868148876 1.8511330662 Pt -0.3916189526 8.9133599671 2.3998017200 Pt -1.6961298998 7.1115966869 3.9418711879 Pt 0.6844745524 10.9734700298 3.3926997963 Pt 1.7981716057 7.8939312685 5.3424425856 Pt -0.4020714737 9.1280994730 4.9634945325 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8628841787 -0.6204936682 1.7077030758 Pt 3.5510411678 1.7149956969 2.0129784717 Pt 3.7152618676 -0.8155575077 3.3451144267 Pt 5.8056687097 1.5150529481 3.2969929073 Pt 5.8012013007 -0.4308547028 5.0271657339 Pt 3.6849959535 1.4445607998 5.0457120682 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8657556891 3.8218958416 1.8920173042 Pt 3.8624780925 5.8677623152 1.9010115813 Pt 3.9331366129 3.8453590055 3.6933935009 Pt 5.8893886171 5.8595347770 3.6113628362 Pt 5.8773751575 3.0762560398 5.4946192827 Pt 3.5053940833 5.8392913819 5.5551507301 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8380160471 7.9699254889 1.9072217471 Pt 4.0086399443 11.0196653152 1.0483581764 Pt 3.8104559263 7.9789590914 3.6683996007 Pt 5.0856670872 10.2045348027 3.1856923192 Pt 5.6598535758 7.3415989281 5.7288729199 Pt 2.8672592288 10.3509197960 4.5841502027 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8527997971 0.1390402501 1.9115649922 Pt 7.9582296565 1.8876086643 1.8973635709 Pt 7.3979508765 -1.9248633936 3.5225813418 Pt 11.4327678297 0.9125884225 3.8716977354 Pt 9.4006586406 -0.6113140987 4.3398602035 Pt 7.9164636198 1.3866011516 4.9139100112 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0159038906 4.0139221933 1.0914288480 Pt 7.9747603326 5.8886320758 1.9010112476 Pt 7.9135128015 3.7969751348 3.6228120438 Pt 10.1544985530 5.1486423689 3.2206454201 Pt 10.1270273303 2.9582936924 4.7156555213 Pt 7.3324220782 5.2862283255 5.7377361515 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9890248295 7.7623023019 1.2908188890 Pt 7.8306740304 11.1034198284 0.9957896791 Pt 7.8436033941 7.9109247783 3.5693388105 Pt 9.4618068383 9.6231723531 2.6634527331 Pt 9.4871895707 6.7166477563 5.1341907315 Pt 6.6298024783 9.6372607847 5.1408990675 H 2.4183991198 1.8641434231 10.7625395539 O 1.4771766984 1.9266755031 11.0120337298 H 1.2706909935 2.8798959598 10.9479406932 75 i = 65, E = -8672.1261610475 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7512616929 -1.3957496166 1.2859214729 Pt -1.3932278777 1.7308833689 1.2320450155 Pt -0.0088677366 -0.1022171893 2.6217380877 Pt 1.3618744451 1.9279032624 3.4720514099 Pt 1.5304621958 -0.4089094634 4.8231981436 Pt -0.1499908205 1.6955080233 5.5333039443 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8128392477 3.9376362532 1.9156132803 Pt -0.5315084691 5.7471491017 1.8647142127 Pt -1.0203068054 3.4078011226 3.3498273246 Pt 1.6739591341 5.9936682167 3.5107674989 Pt 1.9375220837 3.6297364761 5.4497182954 Pt -0.2290963467 5.1665832903 5.0509363580 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9397072999 7.9866277631 1.8503365217 Pt -0.4365166595 8.8429876472 2.4139826081 Pt -1.7518036175 7.0534953290 3.9753013863 Pt 0.5388887774 10.9535973392 3.3575089026 Pt 1.7726287833 7.9049068078 5.3380523704 Pt -0.4591100780 9.0925193182 4.9694638341 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8708375518 -0.6351735001 1.6948165549 Pt 3.5356332747 1.7247191437 2.0198682891 Pt 3.7049685694 -0.8165185643 3.3100762444 Pt 5.7968724263 1.4973533950 3.2757197612 Pt 5.7934289226 -0.4622558024 5.0078712638 Pt 3.6661910669 1.4039902356 5.0090639185 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8560285587 3.8273827054 1.8956678126 Pt 3.8651533284 5.8691412192 1.9048803986 Pt 3.9514424878 3.8653916835 3.7182855301 Pt 5.9066826174 5.8968905283 3.6201525883 Pt 5.8539302146 2.9850815670 5.5204447572 Pt 3.4571886043 5.8238916928 5.5783271207 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8057694729 7.9776209955 1.9008156042 Pt 4.0035880513 11.0246801155 1.0142103355 Pt 3.7831138806 7.9843934612 3.6789950806 Pt 5.0215064740 10.2073607058 3.1824956639 Pt 5.6117184982 7.3124621785 5.7590643274 Pt 2.7542943129 10.3892794677 4.5265193608 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8306403669 0.1153986158 1.8817344615 Pt 7.9568785872 1.8904627394 1.8932531253 Pt 7.3776603551 -1.9736287188 3.5172381981 Pt 11.4074706250 0.8900412666 3.8439886109 Pt 9.4008659159 -0.6647435113 4.3075224558 Pt 7.9068057210 1.3207609575 4.8926693555 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0094397058 4.0226300105 1.1064413727 Pt 7.9640868398 5.8707077086 1.8884192908 Pt 7.8714947163 3.7734748361 3.6492196028 Pt 10.1043262724 5.1007673025 3.2449100607 Pt 10.0927997884 2.9083028056 4.7181692650 Pt 7.2532266716 5.2280441235 5.7747250160 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9649325818 7.7596167568 1.2965408662 Pt 7.8282449604 11.1024492588 0.9819082687 Pt 7.8272760054 7.9203097152 3.5193171031 Pt 9.4761776161 9.6497328806 2.6929969031 Pt 9.3912506761 6.6929027309 5.1310919865 Pt 6.5769557810 9.5996985089 5.1274462373 H 2.4565229564 1.9221961377 10.8111450179 O 1.5194736143 1.9724562564 11.0971219788 H 1.2827959868 2.9118582855 10.9634299810 75 i = 66, E = -8672.1268991024 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7568555015 -1.3906653767 1.2661559759 Pt -1.3880219716 1.7346746031 1.2339234046 Pt 0.0106197075 -0.0818878270 2.6216143955 Pt 1.3706962771 1.9479525651 3.4841081392 Pt 1.5375412199 -0.3859220393 4.8308080287 Pt -0.1456284380 1.7110178197 5.5369345722 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8094287431 3.9464112106 1.9151042950 Pt -0.5281093885 5.7506085673 1.8585359142 Pt -1.0218316816 3.4255829232 3.3575486241 Pt 1.6793883425 5.9987132830 3.5130299527 Pt 1.9323871673 3.6452311893 5.4640811197 Pt -0.2300144659 5.1939142373 5.0477641730 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9352043788 7.9908068607 1.8476800151 Pt -0.4215071199 8.8890985376 2.3916613980 Pt -1.7302124837 7.0847057890 3.9484330541 Pt 0.5952099373 10.9771767671 3.3643611465 Pt 1.7785783698 7.9213670308 5.3339647095 Pt -0.4411606327 9.1191731728 4.9508519753 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8691638350 -0.6278721787 1.6975620324 Pt 3.5402210144 1.7288839241 2.0202252826 Pt 3.7102266997 -0.8188750393 3.3226901198 Pt 5.7986951046 1.5081233788 3.2826061025 Pt 5.7955437369 -0.4535495382 5.0128364440 Pt 3.6755771394 1.4180222218 5.0199831988 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8519906118 3.8293154177 1.8964692079 Pt 3.8660604897 5.8720451298 1.9037967042 Pt 3.9398611603 3.8700978872 3.7191825447 Pt 5.9005661048 5.8926978612 3.6254069499 Pt 5.8566068896 3.0206734143 5.5130182304 Pt 3.4593130679 5.8327263852 5.5823252795 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8155043832 7.9774192489 1.9031407503 Pt 4.0062966910 11.0221216555 1.0304831918 Pt 3.7879259095 7.9886198060 3.6685355049 Pt 5.0513349106 10.2097734476 3.1913633369 Pt 5.6105025719 7.3328651020 5.7508105891 Pt 2.7951904986 10.3817707066 4.5477847003 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8345637853 0.1308237360 1.8909578363 Pt 7.9516860731 1.8947457399 1.8908545331 Pt 7.3880321913 -1.9493751636 3.5197235414 Pt 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3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8686537699 -0.6253649595 1.6990407832 Pt 3.5388055477 1.7317630541 2.0199420587 Pt 3.7094370859 -0.8106354305 3.3150831666 Pt 5.8013389016 1.5069530293 3.2840017459 Pt 5.7886356693 -0.4590747944 5.0136127870 Pt 3.6752724427 1.4256029184 5.0216595021 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8528739550 3.8307185304 1.9000041107 Pt 3.8673363868 5.8725454989 1.9054026165 Pt 3.9384932082 3.8724759376 3.7225481673 Pt 5.9007875906 5.8961236571 3.6217673057 Pt 5.8568737223 3.0265868998 5.5127102807 Pt 3.4468169080 5.8340398249 5.5866596423 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8161899121 7.9797380273 1.9037646991 Pt 4.0059711135 11.0229035842 1.0285817547 Pt 3.7848939824 7.9882251702 3.6723465726 Pt 5.0500037624 10.2140606983 3.1945922299 Pt 5.5939969499 7.3312574835 5.7580373519 Pt 2.7951680416 10.3857148276 4.5491479480 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8318955553 0.1278809264 1.8889200197 Pt 7.9519531032 1.8956988312 1.8937317287 Pt 7.3890338908 -1.9526908481 3.5185047444 Pt 11.4066254142 0.9188227153 3.8362347788 Pt 9.4083427206 -0.6522929717 4.3206004221 Pt 7.9047920330 1.3344894405 4.9038612744 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0141019309 4.0257714296 1.1102447176 Pt 7.9660324919 5.8672220238 1.8914842787 Pt 7.8699270432 3.7796121187 3.6504056264 Pt 10.1129820407 5.1183224681 3.2424984374 Pt 10.0885788636 2.9318011442 4.7280131642 Pt 7.2662676393 5.2632484695 5.7656951175 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9685707910 7.7666277916 1.2870060600 Pt 7.8296922327 11.0971353462 0.9860352153 Pt 7.8465485702 7.9137740579 3.5217552767 Pt 9.4817434853 9.6595400864 2.6909706381 Pt 9.4205907075 6.7017580965 5.1303971295 Pt 6.6089250502 9.6006368428 5.1219377405 H 2.4503945097 1.9061976258 10.7661529865 O 1.5148828330 1.9620977582 11.0263608459 H 1.2916160857 2.9043515549 10.9311208230 75 i = 68, E = -8672.1281930585 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7451845844 -1.4069826905 1.2675735873 Pt -1.3835006675 1.7516208098 1.2129797727 Pt 0.0077784419 -0.0654687650 2.6177623049 Pt 1.3622683386 1.9582211308 3.4830392376 Pt 1.5510630565 -0.4068052871 4.8224419615 Pt -0.1655287098 1.6980407493 5.5176593978 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8141207649 3.9616807598 1.9218120024 Pt -0.5227045995 5.7565249600 1.8668162310 Pt -1.0320487600 3.4250966711 3.3711804038 Pt 1.6753608957 6.0073069297 3.5213991339 Pt 1.9158074384 3.6302308180 5.4902520264 Pt -0.2460109088 5.2013716854 5.0446736423 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9332621165 7.9969313578 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5.8061535278 7.9886833172 1.9030406143 Pt 4.0064592872 11.0287443720 1.0178250859 Pt 3.7674482787 7.9913546461 3.6789299189 Pt 5.0234544466 10.2224379580 3.2032877334 Pt 5.5336359886 7.3202696762 5.7776354124 Pt 2.7579691266 10.4107368697 4.5338410857 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8190268010 0.1158549381 1.8807454945 Pt 7.9506654416 1.8984975599 1.8965860629 Pt 7.3838341285 -1.9748176459 3.5144138925 Pt 11.3904773925 0.9172229998 3.8079533311 Pt 9.4120734376 -0.6739613249 4.3117396709 Pt 7.8971708262 1.3097901107 4.9036511745 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0137146895 4.0337085485 1.1263695130 Pt 7.9683606968 5.8540906120 1.8868104048 Pt 7.8536886157 3.7693713804 3.6677518632 Pt 10.0937792428 5.1013739054 3.2667738894 Pt 10.0730124815 2.9124933579 4.7413943092 Pt 7.2261426764 5.2629794471 5.7777326590 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9670194895 7.7701424666 1.2779487867 Pt 7.8282213545 11.0944107841 0.9807747610 Pt 7.8627982455 7.9181188842 3.4840765597 Pt 9.5029443435 9.6894129177 2.7065900916 Pt 9.3824465507 6.6934669514 5.1419213418 Pt 6.5941487099 9.5585802049 5.1053254023 H 2.4780739012 1.9325839570 10.7509968370 O 1.5441574440 1.9823109524 11.0147294309 H 1.3098234800 2.9213943567 10.9064027617 75 i = 69, E = -8672.1287328315 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7347870072 -1.4200367415 1.2745569919 Pt -1.3815947609 1.7630870725 1.1951123392 Pt 0.0081017754 -0.0585515895 2.6079076312 Pt 1.3480766098 1.9744981826 3.4823634894 Pt 1.5407919516 -0.4196261515 4.8053853636 Pt -0.1842591320 1.6740632676 5.5133696198 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8157736170 3.9736038161 1.9255851698 Pt -0.5198653464 5.7551334709 1.8754842112 Pt -1.0463917475 3.4148871755 3.3812536493 Pt 1.6690101469 6.0265690332 3.5253330667 Pt 1.8940468101 3.6088056786 5.5055941198 Pt -0.2551713046 5.2062954183 5.0354156102 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9281062406 8.0031976322 1.8427320800 Pt -0.4419095649 8.8607238303 2.3898564527 Pt -1.8121875148 7.0737193251 3.9411250144 Pt 0.4787278770 10.9835612925 3.3565302284 Pt 1.7011111443 7.9786889954 5.3270879469 Pt -0.5567801227 9.1259024654 4.9369086657 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8811513597 -0.6268912764 1.6968188057 Pt 3.5242937645 1.7524155647 2.0299373538 Pt 3.6832497207 -0.7724275695 3.2596379102 Pt 5.7911198188 1.4903935707 3.2798925444 Pt 5.7590158736 -0.5097880284 4.9851932659 Pt 3.6550026903 1.4313890289 5.0010305571 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8406590999 3.8382841328 1.9189695646 Pt 3.8748508628 5.8791740948 1.9151955556 Pt 3.9311328796 3.9135733642 3.7613890551 Pt 5.9221760038 5.9543406469 3.6302631651 Pt 5.8405176199 2.9937479700 5.5155448471 Pt 3.3188647204 5.8342195585 5.6397248090 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7913280983 7.9989350054 1.9024583501 Pt 4.0074231723 11.0341573808 1.0081029690 Pt 3.7457927990 7.9973869733 3.6877042403 Pt 4.9933522950 10.2243548277 3.2177634134 Pt 5.4660564482 7.2971552570 5.7968965382 Pt 2.7118210786 10.4386288057 4.5150660598 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8080465643 0.1068179674 1.8663934744 Pt 7.9508191691 1.8972833566 1.8988554050 Pt 7.3728828551 -2.0107324769 3.5126717722 Pt 11.3797899336 0.9088057285 3.7885526975 Pt 9.4098058426 -0.7038473843 4.2905149564 Pt 7.8875151888 1.2750757526 4.8985647880 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0120713561 4.0422832700 1.1483166215 Pt 7.9681378028 5.8360792058 1.8829623190 Pt 7.8378386998 3.7569149771 3.6886141047 Pt 10.0765838526 5.0762765249 3.2907967378 Pt 10.0572557785 2.8802003628 4.7533480516 Pt 7.1843207087 5.2601114192 5.7870150479 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9599627644 7.7674339221 1.2649536572 Pt 7.8276373724 11.0913498773 0.9719317796 Pt 7.8806499311 7.9198516172 3.4437329289 Pt 9.5241546172 9.7201137631 2.7234936336 Pt 9.3391410111 6.6854043735 5.1510418739 Pt 6.5774887205 9.5089534513 5.0859325148 H 2.5055345759 1.9626756735 10.7468534325 O 1.5738985728 2.0065793675 11.0158240515 H 1.3275069474 2.9440328310 10.8896167351 75 i = 70, E = -8672.1291849739 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7341043136 -1.4230205349 1.2737356826 Pt -1.3727946841 1.7702289229 1.1885338857 Pt 0.0147317422 -0.0446802316 2.6092354195 Pt 1.3432118560 1.9954072071 3.4854724343 Pt 1.5351528453 -0.4007576897 4.8096747076 Pt -0.1959847615 1.6715163333 5.5192070697 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8164227052 3.9876641485 1.9261378944 Pt -0.5187462067 5.7568465887 1.8744595547 Pt -1.0500460463 3.4112489823 3.3819245668 Pt 1.6609627106 6.0480175127 3.5252072217 Pt 1.8686912816 3.6069690945 5.5210363817 Pt -0.2685707087 5.2193772199 5.0255574039 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9269456464 8.0095967569 1.8413820657 Pt -0.4459366136 8.8701961159 2.3755633938 Pt -1.8268093919 7.0847091412 3.9240263192 Pt 0.4713618994 10.9983884950 3.3645865164 Pt 1.6697025218 8.0065562350 5.3180113947 Pt -0.5976976183 9.1486753038 4.9279943515 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8844732863 -0.6277416770 1.6999111831 Pt 3.5218489975 1.7648017241 2.0311502848 Pt 3.6679714084 -0.7548462148 3.2477824393 Pt 5.7845305167 1.4885413185 3.2825868641 Pt 5.7464972493 -0.5231480146 4.9708637343 Pt 3.6482252182 1.4486096316 5.0023005618 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8351500597 3.8389695814 1.9275138890 Pt 3.8789244496 5.8859449820 1.9205965604 Pt 3.9180514041 3.9386973492 3.7751878867 Pt 5.9297175372 5.9771732645 3.6292976768 Pt 5.8394170452 3.0074050065 5.5040372103 Pt 3.2569538850 5.8412459114 5.6644688921 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7884013004 8.0057588121 1.9034816255 Pt 4.0129013395 11.0354320856 1.0138040169 Pt 3.7305100815 8.0024999322 3.6909798109 Pt 4.9821780007 10.2290132844 3.2271670249 Pt 5.4148614788 7.2825849380 5.7993257312 Pt 2.6999810743 10.4557476811 4.5159814033 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8061316898 0.1086360346 1.8653665247 Pt 7.9450181888 1.8984988856 1.9011305873 Pt 7.3679721728 -2.0308761364 3.5164144854 Pt 11.3827162433 0.9009382242 3.7777927833 Pt 9.4082130790 -0.7145557004 4.2782642360 Pt 7.8763967651 1.2579995585 4.8986580109 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0094127266 4.0448101549 1.1564082575 Pt 7.9690422303 5.8226964261 1.8841005865 Pt 7.8385516129 3.7521185319 3.7003191587 Pt 10.0709101701 5.0607190736 3.3041237407 Pt 10.0519045656 2.8551349338 4.7637880818 Pt 7.1732300463 5.2795508135 5.7841914170 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9683960116 7.7722155926 1.2607411409 Pt 7.8275813591 11.0908085339 0.9720053453 Pt 7.8990915886 7.9204007397 3.4240704807 Pt 9.5398389409 9.7398804311 2.7309961862 Pt 9.3384751482 6.6834659280 5.1530331856 Pt 6.5808030398 9.4676968122 5.0779583737 H 2.5192900599 1.9739439743 10.7150777401 O 1.5838161207 2.0133649550 10.9808920256 H 1.3474747313 2.9513291049 10.8807145795 75 i = 71, E = -8672.1296079488 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7381384535 -1.4182924863 1.2774055904 Pt -1.3743517801 1.7654407229 1.1962479289 Pt 0.0171521071 -0.0497333664 2.6078594042 Pt 1.3446013748 1.9920632942 3.4848661481 Pt 1.5300293141 -0.3874384058 4.8135683288 Pt -0.1921093612 1.6775295802 5.5245636798 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8140491602 3.9895328347 1.9271767787 Pt -0.5261684652 5.7545012884 1.8650714402 Pt -1.0463472041 3.4137042959 3.3739766483 Pt 1.6549613658 6.0485618287 3.5235062733 Pt 1.8634588623 3.6119697521 5.5152701019 Pt -0.2721046766 5.2191798281 5.0247496959 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9252721081 8.0087689801 1.8402894361 Pt -0.4399503090 8.8827391826 2.3739730841 Pt -1.8158544351 7.0848465525 3.9164608949 Pt 0.4865757911 10.9975036320 3.3670135313 Pt 1.6697186813 8.0056754617 5.3160529483 Pt -0.5956597173 9.1516474493 4.9265201029 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8828488235 -0.6333388290 1.6996062582 Pt 3.5240423331 1.7675833827 2.0287037530 Pt 3.6670954467 -0.7603407487 3.2503936950 Pt 5.7843378723 1.4894784642 3.2825446134 Pt 5.7454158437 -0.5189439361 4.9660451864 Pt 3.6508343473 1.4503170209 5.0054334715 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8348669200 3.8370038398 1.9285619266 Pt 3.8764904473 5.8867829114 1.9209485813 Pt 3.9163442852 3.9408947206 3.7765273666 Pt 5.9305628141 5.9715662874 3.6268493743 Pt 5.8414032799 3.0155391683 5.5032990092 Pt 3.2579000275 5.8439973229 5.6664203103 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7884795155 8.0033854015 1.9029802994 Pt 4.0115835238 11.0327843559 1.0189746271 Pt 3.7290718848 8.0046399399 3.6886369219 Pt 4.9901933495 10.2232234139 3.2269120743 Pt 5.4223659534 7.2798130353 5.7865809925 Pt 2.7110367927 10.4521743231 4.5215708303 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8108330170 0.1109077837 1.8658077135 Pt 7.9427588805 1.8983310892 1.9006318773 Pt 7.3658486477 -2.0283872180 3.5198862993 Pt 11.3854728649 0.8978965749 3.7857054431 Pt 9.4021293844 -0.7113209696 4.2757699538 Pt 7.8751835047 1.2627899097 4.8957513364 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0037563209 4.0412556142 1.1519554704 Pt 7.9680261036 5.8239769233 1.8848966385 Pt 7.8447999512 3.7520165055 3.6955413762 Pt 10.0772588320 5.0629022556 3.2991133594 Pt 10.0570889596 2.8569741601 4.7595224795 Pt 7.1905399188 5.2858515488 5.7757084803 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9662555013 7.7667462820 1.2608280198 Pt 7.8263483638 11.0932284639 0.9753574788 Pt 7.8929604267 7.9211421749 3.4304213266 Pt 9.5416349402 9.7298218940 2.7292797824 Pt 9.3559245640 6.6923315035 5.1429653532 Pt 6.5845404867 9.4685102656 5.0858692116 H 2.5147740227 1.9650736181 10.7137207435 O 1.5782039101 2.0075511187 10.9747082013 H 1.3451819242 2.9485160141 10.8865425547 75 i = 72, E = -8672.1299278974 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7410442116 -1.4173533257 1.2854860478 Pt -1.3808870584 1.7594859870 1.1985771948 Pt 0.0121750185 -0.0495237140 2.6026224738 Pt 1.3408865208 1.9852220406 3.4821081480 Pt 1.5235187082 -0.3826440847 4.8119601248 Pt -0.1943679001 1.6731475787 5.5289819873 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8099610675 3.9912656492 1.9327287129 Pt -0.5393885416 5.7489016332 1.8511600750 Pt -1.0492560051 3.4138052644 3.3644150310 Pt 1.6427145541 6.0546816300 3.5211979820 Pt 1.8527717232 3.6066011135 5.5090014092 Pt -0.2784207682 5.2106351782 5.0238031516 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9203274951 8.0111045718 1.8369768929 Pt -0.4467052469 8.8853336216 2.3702357896 Pt -1.8137473104 7.0700158590 3.9071599247 Pt 0.4716471625 10.9992331801 3.3682490165 Pt 1.6510799794 8.0138860434 5.3117934239 Pt -0.6138958967 9.1510453137 4.9207224410 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8803287060 -0.6435991601 1.6969701998 Pt 3.5236208008 1.7789857613 2.0292366956 Pt 3.6597576774 -0.7633904453 3.2458677289 Pt 5.7824195823 1.4832964518 3.2759413862 Pt 5.7353760897 -0.5199573539 4.9563157662 Pt 3.6513436212 1.4460256362 4.9985501056 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8314265949 3.8363093282 1.9319148666 Pt 3.8727681828 5.8887564462 1.9231762511 Pt 3.9186563646 3.9557627468 3.7888886145 Pt 5.9396925406 5.9745038841 3.6214004392 Pt 5.8382869743 3.0075292338 5.5042649296 Pt 3.2315665755 5.8488080824 5.6774250751 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7803711818 8.0048651842 1.9022030603 Pt 4.0081945980 11.0275585819 1.0161116626 Pt 3.7152346539 8.0109858859 3.6899379672 Pt 4.9805491551 10.2203934892 3.2240470568 Pt 5.4066033668 7.2614996662 5.7816541801 Pt 2.6979897070 10.4606648415 4.5187645812 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8095050241 0.1073390867 1.8568840809 Pt 7.9407984683 1.9006761038 1.8983279011 Pt 7.3593326723 -2.0434680016 3.5240954534 Pt 11.3817250780 0.8861738191 3.7888823087 Pt 9.3930960384 -0.7266277512 4.2578730449 Pt 7.8686742355 1.2488053198 4.8858197665 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9945372705 4.0331151223 1.1458628761 Pt 7.9678717976 5.8204116934 1.8812389345 Pt 7.8412104775 3.7434798603 3.7000152835 Pt 10.0743987251 5.0504648710 3.2964438715 Pt 10.0564004814 2.8451750227 4.7564140174 Pt 7.1941657431 5.2837928302 5.7740967818 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9600430033 7.7646221591 1.2642663958 Pt 7.8291786987 11.0909736211 0.9797139683 Pt 7.8831295373 7.9233719389 3.4237885661 Pt 9.5468729551 9.7261828383 2.7273314832 Pt 9.3593621221 6.6933514260 5.1240000175 Pt 6.5670390094 9.4589800817 5.0901990784 H 2.5199656183 1.9699870327 10.7189915315 O 1.5821902200 2.0092956102 10.9772898415 H 1.3527092758 2.9506757628 10.9004417456 75 i = 73, E = -8672.1301080188 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7384708159 -1.4197745219 1.2886833454 Pt -1.3849703352 1.7554557312 1.2007604445 Pt 0.0101299345 -0.0541933363 2.6020976838 Pt 1.3380807046 1.9833454749 3.4782366292 Pt 1.5227684846 -0.3828689812 4.8111588600 Pt -0.1959757354 1.6751815412 5.5269800419 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8071542487 3.9935088066 1.9347063148 Pt -0.5419876950 5.7505414090 1.8458239725 Pt -1.0499191774 3.4128890893 3.3605286515 Pt 1.6319611318 6.0577379091 3.5208847487 Pt 1.8435597923 3.6050457684 5.5066377831 Pt -0.2868037910 5.2103653589 5.0230936873 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9178979741 8.0110035922 1.8376151573 Pt -0.4463178046 8.8868116080 2.3714787835 Pt -1.8160610932 7.0696779671 3.8979235162 Pt 0.4601788202 11.0010870226 3.3729524545 Pt 1.6353254483 8.0197362980 5.3093537553 Pt -0.6364928130 9.1538756978 4.9212001687 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8807927397 -0.6475317517 1.6972012810 Pt 3.5230988692 1.7859968598 2.0288574095 Pt 3.6568184023 -0.7606178915 3.2398397356 Pt 5.7831876183 1.4814502810 3.2716633403 Pt 5.7292048405 -0.5254732376 4.9514783185 Pt 3.6534076552 1.4481006872 4.9919529849 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8296238053 3.8346987613 1.9330488751 Pt 3.8710115571 5.8893906531 1.9265857215 Pt 3.9180447471 3.9656776271 3.7962439019 Pt 5.9449296941 5.9739578513 3.6179109388 Pt 5.8379913528 3.0091594272 5.4998723260 Pt 3.2052571200 5.8502347875 5.6817072030 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7741853332 8.0051566016 1.9020960305 Pt 4.0057979029 11.0295582713 1.0131787799 Pt 3.7038104060 8.0114079153 3.6918511265 Pt 4.9703765124 10.2206872910 3.2236402026 Pt 5.3864629285 7.2474877627 5.7755655801 Pt 2.6899769681 10.4650428999 4.5209207818 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8079299160 0.1033138510 1.8521989562 Pt 7.9423387392 1.8983262966 1.8961717828 Pt 7.3515562429 -2.0577897040 3.5298004960 Pt 11.3778460475 0.8776103290 3.7912763538 Pt 9.3909914194 -0.7336110416 4.2502165762 Pt 7.8669351385 1.2412749808 4.8796465562 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9913131391 4.0303123133 1.1405752887 Pt 7.9704095245 5.8191089644 1.8794785383 Pt 7.8419344740 3.7399011979 3.7007435009 Pt 10.0740139138 5.0446472093 3.2949854256 Pt 10.0580787731 2.8379654168 4.7552355487 Pt 7.1988205193 5.2843444486 5.7711803221 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9599291588 7.7626845567 1.2577836829 Pt 7.8288026906 11.0893176445 0.9808522226 Pt 7.8818721753 7.9250163177 3.4148574467 Pt 9.5586221610 9.7253140230 2.7303611260 Pt 9.3576517555 6.6977704191 5.1176433246 Pt 6.5554575805 9.4449959300 5.0903282497 H 2.5261962188 1.9722133372 10.7182385952 O 1.5874670012 2.0103181083 10.9723218693 H 1.3573532429 2.9543769560 10.9012693818 75 i = 74, E = -8672.1302346887 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7363632361 -1.4210524839 1.2867165271 Pt -1.3866346062 1.7516687812 1.2056717196 Pt 0.0080505795 -0.0559265103 2.6041546961 Pt 1.3358218798 1.9828841244 3.4750847942 Pt 1.5241383799 -0.3836456036 4.8130722808 Pt -0.1947195229 1.6776936121 5.5273674467 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8049176882 3.9952249725 1.9356600413 Pt -0.5406858676 5.7531537667 1.8426694985 Pt -1.0527980160 3.4119449755 3.3573774888 Pt 1.6238687373 6.0588199163 3.5219896499 Pt 1.8407271460 3.6046884835 5.5063815968 Pt -0.2937182662 5.2080171683 5.0238161393 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9138072357 8.0123259894 1.8363609293 Pt -0.4475281624 8.8923430600 2.3707708385 Pt -1.8153024473 7.0710143010 3.8890915819 Pt 0.4562498390 11.0014873227 3.3796231852 Pt 1.6215917014 8.0231025409 5.3092659321 Pt -0.6530540958 9.1572181129 4.9211015383 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8815822948 -0.6484105721 1.7011217822 Pt 3.5235438905 1.7886947916 2.0297942146 Pt 3.6548233839 -0.7579867026 3.2411639032 Pt 5.7855874011 1.4800582913 3.2686493589 Pt 5.7268064280 -0.5264815842 4.9522813972 Pt 3.6556071535 1.4502523346 4.9857103653 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8287812159 3.8328593548 1.9321288950 Pt 3.8691783562 5.8905953603 1.9290793348 Pt 3.9177506939 3.9701557113 3.8002958417 Pt 5.9455326896 5.9671736448 3.6174020981 Pt 5.8405150444 3.0131910081 5.4935896018 Pt 3.1888866785 5.8539255471 5.6831581681 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7687973476 8.0053024619 1.9033349726 Pt 4.0064329207 11.0305699176 1.0102149870 Pt 3.6963734073 8.0121640020 3.6938553340 Pt 4.9617896178 10.2198176251 3.2276905715 Pt 5.3742617209 7.2345124870 5.7676266143 Pt 2.6846447411 10.4658313746 4.5285986507 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8093802377 0.0992667721 1.8519356218 Pt 7.9443956386 1.8960760943 1.8947671920 Pt 7.3492561923 -2.0673380944 3.5363835622 Pt 11.3788201970 0.8685270158 3.7953981313 Pt 9.3887145178 -0.7434009337 4.2456925264 Pt 7.8689695164 1.2374823022 4.8750631612 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9943024774 4.0275577420 1.1351161305 Pt 7.9729362594 5.8200065406 1.8793821803 Pt 7.8447591747 3.7380160057 3.6974924453 Pt 10.0781437553 5.0427865103 3.2906591640 Pt 10.0598934999 2.8356011309 4.7520344670 Pt 7.2071812278 5.2845708661 5.7684157587 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9635621608 7.7643670438 1.2541164295 Pt 7.8275319218 11.0879244383 0.9851312356 Pt 7.8802515525 7.9262246067 3.4128672880 Pt 9.5632479282 9.7223167480 2.7290600253 Pt 9.3598507122 6.7007286731 5.1134459131 Pt 6.5424721140 9.4350159452 5.0908411164 H 2.5291627535 1.9709561796 10.7196397941 O 1.5890066291 2.0072686065 10.9672561002 H 1.3615945796 2.9538578532 10.9074375481 75 i = 75, E = -8672.1303292279 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7349214658 -1.4232912873 1.2883086322 Pt -1.3875991100 1.7508135475 1.2046714778 Pt 0.0069949457 -0.0535961404 2.6024663482 Pt 1.3339310891 1.9839178481 3.4756161220 Pt 1.5266906849 -0.3918482972 4.8131988686 Pt -0.1973408632 1.6728800147 5.5228816206 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8059612157 3.9961330867 1.9368236798 Pt -0.5386137463 5.7532373043 1.8387457061 Pt -1.0568978541 3.4094601345 3.3563815542 Pt 1.6217120007 6.0610403049 3.5200737346 Pt 1.8393703193 3.5968422674 5.5088987123 Pt -0.2960429400 5.2043932545 5.0198002544 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9084291545 8.0142491130 1.8355126572 Pt -0.4532127326 8.8917063171 2.3678873943 Pt -1.8192945464 7.0695057542 3.8837419301 Pt 0.4445125861 11.0042967797 3.3808822800 Pt 1.6080522734 8.0290953372 5.3066656081 Pt -0.6693903582 9.1601436938 4.9183283080 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8821172963 -0.6528924173 1.7002718843 Pt 3.5224979183 1.7911288572 2.0313768558 Pt 3.6521722476 -0.7571884282 3.2369188454 Pt 5.7866413941 1.4785773794 3.2656868461 Pt 5.7248831769 -0.5280149677 4.9514157103 Pt 3.6545088306 1.4481285010 4.9783163518 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8261538836 3.8325134654 1.9323463222 Pt 3.8688658209 5.8918213449 1.9301799431 Pt 3.9200719169 3.9759150106 3.8068005537 Pt 5.9466757666 5.9655146552 3.6159756595 Pt 5.8397347550 3.0078523339 5.4915500111 Pt 3.1707318932 5.8571735814 5.6901835884 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7612464847 8.0069221708 1.9048431631 Pt 4.0050558092 11.0292449501 1.0074410817 Pt 3.6859764369 8.0134497137 3.6956287335 Pt 4.9503158240 10.2237839656 3.2315679128 Pt 5.3605205516 7.2237928669 5.7672696528 Pt 2.6719636032 10.4696620731 4.5310128979 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8071967441 0.0976441342 1.8497593968 Pt 7.9455417858 1.8965203856 1.8934643164 Pt 7.3425386325 -2.0760558067 3.5421929367 Pt 11.3721712344 0.8665811811 3.7952535625 Pt 9.3915625516 -0.7548453917 4.2411526338 Pt 7.8706018297 1.2281598962 4.8698130365 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9958877519 4.0281338146 1.1336610318 Pt 7.9720651343 5.8169943514 1.8766371378 Pt 7.8400529593 3.7369336882 3.6972919388 Pt 10.0734894981 5.0418153816 3.2901920279 Pt 10.0544706512 2.8339264781 4.7489955341 Pt 7.2074810210 5.2785693538 5.7710170312 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9628894041 7.7665306674 1.2494093209 Pt 7.8274291382 11.0865434042 0.9881201508 Pt 7.8754830293 7.9260733755 3.4057234314 Pt 9.5652065531 9.7223935236 2.7337449743 Pt 9.3541590942 6.7022524194 5.1073893089 Pt 6.5303631237 9.4228784360 5.0886432189 H 2.5370485312 1.9743932485 10.7213766236 O 1.5955383670 2.0062362055 10.9640492251 H 1.3681680295 2.9528604721 10.9101096249 75 i = 76, E = -8672.1303864180 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7347244380 -1.4228307109 1.2877447640 Pt -1.3881115413 1.7511923415 1.2056623994 Pt 0.0072687721 -0.0510983226 2.6047278281 Pt 1.3346206523 1.9853066510 3.4756197924 Pt 1.5268075790 -0.3930644813 4.8144965550 Pt -0.1964168298 1.6693930481 5.5226246993 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8082726835 3.9960805603 1.9364549967 Pt -0.5354696356 5.7534412666 1.8384629063 Pt -1.0589486977 3.4098757146 3.3592421293 Pt 1.6244940196 6.0615163993 3.5198333734 Pt 1.8408609057 3.5950715666 5.5111397778 Pt -0.2942570201 5.2080654589 5.0171779948 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9068462377 8.0143528790 1.8363769649 Pt -0.4557166204 8.8955626300 2.3671715361 Pt -1.8175258898 7.0714279834 3.8802920486 Pt 0.4453916608 11.0062147584 3.3809275746 Pt 1.6041124217 8.0303993149 5.3064189910 Pt -0.6719922421 9.1643830772 4.9160270747 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8824101629 -0.6540322975 1.7003868518 Pt 3.5225175235 1.7889022494 2.0319095996 Pt 3.6539158919 -0.7611467551 3.2400545148 Pt 5.7884830128 1.4780510489 3.2647497053 Pt 5.7286791024 -0.5242606453 4.9532505116 Pt 3.6539483612 1.4474560284 4.9765227472 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8244134699 3.8317917932 1.9311563686 Pt 3.8684947261 5.8922424001 1.9295411430 Pt 3.9201406124 3.9758547405 3.8072370642 Pt 5.9457303538 5.9618073402 3.6155263152 Pt 5.8407937952 3.0064144719 5.4896805716 Pt 3.1667614669 5.8573836479 5.6912071799 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7575832329 8.0073725296 1.9069631784 Pt 4.0053001946 11.0291369489 1.0089847400 Pt 3.6819546322 8.0139650709 3.6951950514 Pt 4.9467956480 10.2255411844 3.2348438891 Pt 5.3611409369 7.2205008534 5.7649195400 Pt 2.6690667490 10.4677194404 4.5348545552 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8073016581 0.0977069920 1.8514618899 Pt 7.9464576313 1.8964734734 1.8930675544 Pt 7.3433374509 -2.0770945160 3.5459512435 Pt 11.3735251007 0.8675228597 3.7974758765 Pt 9.3956861071 -0.7586232812 4.2414872434 Pt 7.8739703731 1.2278261342 4.8671785656 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9979800215 4.0298286992 1.1330214467 Pt 7.9693554276 5.8173488941 1.8750487189 Pt 7.8391600780 3.7391430483 3.6933968826 Pt 10.0738123903 5.0450402334 3.2873967045 Pt 10.0510744164 2.8365627089 4.7448459497 Pt 7.2126948499 5.2765616594 5.7694764770 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9618633609 7.7661902248 1.2454871510 Pt 7.8290622358 11.0857443024 0.9923186074 Pt 7.8716843581 7.9249046141 3.4051711006 Pt 9.5618936514 9.7209832944 2.7359069807 Pt 9.3547729130 6.7056079501 5.1050810936 Pt 6.5281663897 9.4201483088 5.0889925712 H 2.5399414982 1.9713822740 10.7219683668 O 1.5972264351 2.0010485021 10.9584647364 H 1.3699012530 2.9481173232 10.9107071776 75 i = 77, E = -8672.1304278007 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7359437819 -1.4225313875 1.2890164012 Pt -1.3892736845 1.7516630930 1.2056235750 Pt 0.0087864992 -0.0501178236 2.6037612033 Pt 1.3349757494 1.9854424042 3.4766965804 Pt 1.5262831361 -0.3932936680 4.8164563257 Pt -0.1948929474 1.6658054527 5.5242854294 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8118764682 3.9950571949 1.9355863068 Pt -0.5324211622 5.7511575538 1.8392276556 Pt -1.0577137943 3.4057228334 3.3584414418 Pt 1.6271311755 6.0605967438 3.5219360879 Pt 1.8443653946 3.5937319906 5.5135915248 Pt -0.2924653819 5.2041772385 5.0179687446 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9040986134 8.0140730927 1.8361249389 Pt -0.4577964562 8.8991438311 2.3616977777 Pt -1.8159936452 7.0676112617 3.8807269910 Pt 0.4458111087 11.0057513860 3.3791921097 Pt 1.6013939540 8.0288064923 5.3085881592 Pt -0.6721974607 9.1638613933 4.9131974515 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8823495101 -0.6551502352 1.7002711418 Pt 3.5228306310 1.7837816067 2.0321342248 Pt 3.6535335927 -0.7630420116 3.2410270458 Pt 5.7894850468 1.4772812938 3.2641995377 Pt 5.7291226934 -0.5208849737 4.9562153903 Pt 3.6524964529 1.4481841334 4.9781135371 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8236568192 3.8301452252 1.9298905823 Pt 3.8679310888 5.8925760501 1.9299305457 Pt 3.9196360020 3.9732203306 3.8057889725 Pt 5.9442370631 5.9579914768 3.6161939219 Pt 5.8433833105 3.0043310149 5.4898063968 Pt 3.1684733155 5.8557692332 5.6936580700 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7535017845 8.0076762183 1.9085235427 Pt 4.0053234743 11.0274137145 1.0119370970 Pt 3.6792432095 8.0145039432 3.6974703129 Pt 4.9444867228 10.2242772371 3.2392629349 Pt 5.3636520703 7.2153677483 5.7656661288 Pt 2.6661343249 10.4661403280 4.5396040745 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8096153902 0.0964155724 1.8522194588 Pt 7.9469657867 1.8961507471 1.8942983585 Pt 7.3398583527 -2.0769533804 3.5498077891 Pt 11.3737884968 0.8664465281 3.8005537383 Pt 9.3974617696 -0.7620368088 4.2402517411 Pt 7.8777133373 1.2275093318 4.8640595668 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9978898857 4.0314894843 1.1353382818 Pt 7.9668350561 5.8179912083 1.8741100061 Pt 7.8393520544 3.7417579598 3.6894227088 Pt 10.0731423029 5.0484987886 3.2884416694 Pt 10.0496944989 2.8368986630 4.7406008379 Pt 7.2170565311 5.2737100993 5.7684680080 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9633669063 7.7659438155 1.2448166481 Pt 7.8301166836 11.0872001140 0.9954905641 Pt 7.8665902179 7.9226936497 3.4078556892 Pt 9.5549019865 9.7171270182 2.7369455102 Pt 9.3554528838 6.7093651179 5.1051537848 Pt 6.5250167700 9.4184285456 5.0915936858 H 2.5445866494 1.9672653888 10.7269603670 O 1.5998369352 1.9938039307 10.9592681498 H 1.3714448715 2.9406677510 10.9191871869 75 i = 78, E = -8672.1304543457 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7350085842 -1.4229151068 1.2912120266 Pt -1.3890110647 1.7519771704 1.2045141376 Pt 0.0087599017 -0.0495386579 2.6039579634 Pt 1.3348940689 1.9865206995 3.4764702920 Pt 1.5248051123 -0.3932721513 4.8153953668 Pt -0.1942177339 1.6617556373 5.5258185544 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8132075288 3.9947044010 1.9357213772 Pt -0.5322614017 5.7493575756 1.8415294908 Pt -1.0580300807 3.4058553567 3.3612324714 Pt 1.6288259549 6.0608433339 3.5215110863 Pt 1.8429184228 3.5914207590 5.5145884954 Pt -0.2899907752 5.2054335533 5.0176947242 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9042014972 8.0141096056 1.8363314729 Pt -0.4586989597 8.8958665158 2.3653806999 Pt -1.8175763122 7.0673920131 3.8820836650 Pt 0.4426043136 11.0057289044 3.3769143659 Pt 1.5986221776 8.0272339301 5.3096112218 Pt -0.6748638307 9.1641431821 4.9130866415 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8830938800 -0.6571075577 1.6993134302 Pt 3.5220579510 1.7812944803 2.0330291766 Pt 3.6544715696 -0.7642478985 3.2430164061 Pt 5.7885698139 1.4755821765 3.2640359882 Pt 5.7297108090 -0.5204263339 4.9570422673 Pt 3.6522247321 1.4487862570 4.9790245457 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8228034290 3.8297171980 1.9301252812 Pt 3.8691502074 5.8928926465 1.9302133731 Pt 3.9188668161 3.9731778071 3.8059552405 Pt 5.9454185353 5.9603336754 3.6159804741 Pt 5.8441197895 3.0010774645 5.4895046381 Pt 3.1675622513 5.8539217414 5.6964281935 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7522725475 8.0085438315 1.9092416176 Pt 4.0053011661 11.0276844701 1.0112916089 Pt 3.6779449150 8.0145423669 3.6998130897 Pt 4.9416161985 10.2245340446 3.2395211423 Pt 5.3620413620 7.2119198134 5.7680083786 Pt 2.6619325536 10.4674861935 4.5386453863 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8104723121 0.0947262377 1.8510006321 Pt 7.9475869374 1.8957541581 1.8948214946 Pt 7.3394760488 -2.0779342706 3.5509062379 Pt 11.3746609896 0.8656748317 3.7993263630 Pt 9.3976519489 -0.7637680244 4.2395495388 Pt 7.8784724063 1.2263380338 4.8613145460 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9979862562 4.0316313394 1.1380605421 Pt 7.9667615947 5.8176447947 1.8732831620 Pt 7.8383477053 3.7414893273 3.6889125960 Pt 10.0713912911 5.0485963259 3.2896671575 Pt 10.0489927434 2.8362934497 4.7396317318 Pt 7.2146325363 5.2717726675 5.7690506516 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9617051141 7.7649254681 1.2440036475 Pt 7.8306481278 11.0873769730 0.9975216862 Pt 7.8655862252 7.9230171126 3.4072228515 Pt 9.5544639556 9.7184926212 2.7397812837 Pt 9.3538943126 6.7091226267 5.1063228225 Pt 6.5225277477 9.4152079024 5.0918307444 H 2.5494387226 1.9668005024 10.7298029251 O 1.6039869034 1.9914930670 10.9592903803 H 1.3724016463 2.9376575251 10.9193108453 75 i = 79, E = -8672.1304712859 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7347507090 -1.4237948350 1.2909623552 Pt -1.3904702094 1.7509644159 1.2034982829 Pt 0.0095966929 -0.0498520634 2.6028080287 Pt 1.3350303454 1.9861601014 3.4764952064 Pt 1.5250164571 -0.3919466717 4.8146857715 Pt -0.1927781783 1.6614900440 5.5266078230 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8137637617 3.9938578749 1.9349048221 Pt -0.5329898325 5.7485829044 1.8423776491 Pt -1.0564389553 3.4062056039 3.3612155953 Pt 1.6296949247 6.0596870799 3.5212093224 Pt 1.8420603172 3.5918184565 5.5145744150 Pt -0.2887934553 5.2050257119 5.0186315085 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9063761327 8.0133128155 1.8374453051 Pt -0.4573604265 8.8935745357 2.3670984272 Pt -1.8165087671 7.0668795899 3.8822453456 Pt 0.4429197760 11.0054363691 3.3766940327 Pt 1.5986942952 8.0243424869 5.3103035733 Pt -0.6739505919 9.1642477323 4.9143837954 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8829058508 -0.6574650360 1.6987115884 Pt 3.5212969893 1.7794322682 2.0331788126 Pt 3.6558453233 -0.7646017268 3.2452177996 Pt 5.7874915238 1.4752371589 3.2634969831 Pt 5.7291584540 -0.5197153938 4.9586291001 Pt 3.6533552958 1.4493138045 4.9809435007 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8227334521 3.8291041534 1.9299828641 Pt 3.8697326835 5.8928043947 1.9298952099 Pt 3.9178367413 3.9718092919 3.8048916111 Pt 5.9456760857 5.9605690555 3.6158529541 Pt 5.8454805029 3.0009429497 5.4880829337 Pt 3.1696647726 5.8519363134 5.6957258974 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7537663196 8.0081427894 1.9091437299 Pt 4.0051151862 11.0288615525 1.0106667451 Pt 3.6787646079 8.0136165535 3.7011136437 Pt 4.9418733473 10.2228916477 3.2366926072 Pt 5.3645248304 7.2102492903 5.7686248313 Pt 2.6634984197 10.4671346035 4.5383873196 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8117072627 0.0943610471 1.8488074014 Pt 7.9489157974 1.8941819180 1.8947802612 Pt 7.3371993273 -2.0782420652 3.5520686432 Pt 11.3755752378 0.8648581164 3.7998230765 Pt 9.3974777596 -0.7631289888 4.2381125675 Pt 7.8795012311 1.2272413683 4.8591456116 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9976295622 4.0309096282 1.1383923781 Pt 7.9669496721 5.8189417704 1.8736500360 Pt 7.8385114575 3.7422178793 3.6885354477 Pt 10.0714495004 5.0498502893 3.2884573398 Pt 10.0520288544 2.8368770559 4.7371798554 Pt 7.2151338642 5.2721385893 5.7680869946 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9622512638 7.7657594899 1.2451358216 Pt 7.8314193197 11.0873035884 0.9979070149 Pt 7.8659123901 7.9232572682 3.4094729963 Pt 9.5530620614 9.7192087553 2.7395699887 Pt 9.3556371162 6.7091403981 5.1083539805 Pt 6.5210840896 9.4161120507 5.0931170319 H 2.5519453741 1.9650510192 10.7330081940 O 1.6054046901 1.9874426402 10.9597160920 H 1.3729927573 2.9337582418 10.9208354955 75 i = 80, E = -8672.1304800703 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7346665440 -1.4243436708 1.2913162055 Pt -1.3905185249 1.7515836289 1.2029570398 Pt 0.0094025440 -0.0494212503 2.6023255416 Pt 1.3343145484 1.9860896129 3.4767347630 Pt 1.5246329972 -0.3925664599 4.8131568154 Pt -0.1927649871 1.6595766324 5.5264652398 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8134161872 3.9938472858 1.9343417260 Pt -0.5332160565 5.7487347803 1.8431080685 Pt -1.0560603228 3.4050278790 3.3614150855 Pt 1.6292915317 6.0585360226 3.5211864311 Pt 1.8411223747 3.5903757874 5.5157235309 Pt -0.2884945746 5.2052317227 5.0194231330 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9066546339 8.0134777223 1.8369961408 Pt -0.4563203315 8.8915199734 2.3673620671 Pt -1.8179802408 7.0655741777 3.8829430190 Pt 0.4384082840 11.0051272895 3.3760785306 Pt 1.5972781152 8.0229798899 5.3104075798 Pt -0.6755287925 9.1630610907 4.9152174771 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8829978374 -0.6576027664 1.6991783985 Pt 3.5196564158 1.7796659833 2.0334156193 Pt 3.6557923756 -0.7640779473 3.2447660788 Pt 5.7864942319 1.4745192992 3.2620002297 Pt 5.7285061361 -0.5204420937 4.9588432372 Pt 3.6534446175 1.4490341436 4.9814639577 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8224324143 3.8297399172 1.9302097497 Pt 3.8700026796 5.8927693077 1.9301765069 Pt 3.9174120630 3.9720036294 3.8054704787 Pt 5.9469445299 5.9621961319 3.6153561337 Pt 5.8449071331 3.0000084945 5.4874500278 Pt 3.1679739205 5.8499064894 5.6963279765 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7540190192 8.0085282004 1.9080879846 Pt 4.0051191629 11.0292941296 1.0094508656 Pt 3.6779434342 8.0125517209 3.7024119597 Pt 4.9399423620 10.2214361064 3.2356446918 Pt 5.3619377770 7.2085004381 5.7710802900 Pt 2.6607438595 10.4684931682 4.5367129662 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8125673559 0.0924062718 1.8467404374 Pt 7.9482366049 1.8934755407 1.8958282964 Pt 7.3356865623 -2.0801593583 3.5532558476 Pt 11.3756470107 0.8629853090 3.7974195031 Pt 9.3964381082 -0.7647309662 4.2347863963 Pt 7.8783678879 1.2253037674 4.8569077521 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9969981932 4.0312888117 1.1393245672 Pt 7.9673799279 5.8188984129 1.8734223317 Pt 7.8376972473 3.7412395055 3.6895897459 Pt 10.0698788013 5.0487615156 3.2902682516 Pt 10.0524635179 2.8347184803 4.7361837293 Pt 7.2129212144 5.2712446490 5.7684783133 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9615845102 7.7659147094 1.2460508152 Pt 7.8311544666 11.0866336228 0.9976912328 Pt 7.8663418060 7.9231597593 3.4086347702 Pt 9.5539606402 9.7218019269 2.7414231109 Pt 9.3534753061 6.7099729634 5.1093704357 Pt 6.5191453699 9.4143165596 5.0933551497 H 2.5554014635 1.9656509787 10.7365087920 O 1.6082842200 1.9870523626 10.9610243890 H 1.3748462339 2.9329506624 10.9223091325 75 i = 81, E = -8672.1304875313 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7349062122 -1.4243997611 1.2905376217 Pt -1.3900746470 1.7518247657 1.2034443216 Pt 0.0106096973 -0.0489507664 2.6023116695 Pt 1.3346084590 1.9869245726 3.4773069389 Pt 1.5254997198 -0.3923826529 4.8127975470 Pt -0.1926704809 1.6599217454 5.5259883097 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8127837900 3.9934246272 1.9342013578 Pt -0.5334158035 5.7491580098 1.8419335583 Pt -1.0557190860 3.4057651451 3.3610933593 Pt 1.6291498082 6.0579864138 3.5209709743 Pt 1.8414944033 3.5903776981 5.5166581520 Pt -0.2889873925 5.2049443916 5.0198675507 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9068451170 8.0133754388 1.8366694950 Pt -0.4558231238 8.8925652430 2.3666996472 Pt -1.8167414722 7.0665305021 3.8828597100 Pt 0.4403880352 11.0055833958 3.3766005201 Pt 1.5977086720 8.0218716259 5.3102719284 Pt -0.6742625256 9.1627116209 4.9146592353 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8830607342 -0.6578882346 1.6994202578 Pt 3.5194629882 1.7796819004 2.0335853746 Pt 3.6564485129 -0.7644106666 3.2450137727 Pt 5.7856138340 1.4747528006 3.2619996225 Pt 5.7286294432 -0.5191775937 4.9599032423 Pt 3.6537828816 1.4488751217 4.9819003660 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8229285300 3.8300129773 1.9299079191 Pt 3.8697543471 5.8924237215 1.9301175839 Pt 3.9169626289 3.9716341527 3.8049327819 Pt 5.9462589587 5.9615618330 3.6155856383 Pt 5.8449934578 3.0018048515 5.4865872229 Pt 3.1689766893 5.8496842252 5.6957261451 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7551803258 8.0080073842 1.9080152558 Pt 4.0051946982 11.0291801640 1.0089515215 Pt 3.6785721947 8.0114730819 3.7024798121 Pt 4.9403143645 10.2205817528 3.2349099991 Pt 5.3625850163 7.2084982815 5.7710931932 Pt 2.6621858386 10.4679269776 4.5372651328 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8132996179 0.0920279574 1.8455963592 Pt 7.9485660918 1.8928501894 1.8962108559 Pt 7.3347245917 -2.0794667936 3.5537747914 Pt 11.3758231389 0.8628646233 3.7971681831 Pt 9.3965311966 -0.7648310734 4.2331920972 Pt 7.8784511766 1.2251968387 4.8556881312 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9973832010 4.0313141926 1.1386491578 Pt 7.9677226384 5.8194816554 1.8736079690 Pt 7.8381757715 3.7414804767 3.6893583141 Pt 10.0703982016 5.0496259664 3.2899110519 Pt 10.0529189855 2.8353257472 4.7350386940 Pt 7.2141543976 5.2723151605 5.7683622382 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9618753362 7.7665720325 1.2469700865 Pt 7.8307197061 11.0866321280 0.9982335766 Pt 7.8669358575 7.9237563617 3.4096196458 Pt 9.5538878623 9.7225469880 2.7420348531 Pt 9.3551830507 6.7102775018 5.1093479976 Pt 6.5184350931 9.4152035991 5.0932508710 H 2.5558206682 1.9641501179 10.7381799763 O 1.6081686788 1.9857940229 10.9594956683 H 1.3755734575 2.9320395913 10.9227334062 75 i = 82, E = -8672.1304963471 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7348174262 -1.4248315360 1.2902263504 Pt -1.3893484419 1.7524768238 1.2035780144 Pt 0.0118499273 -0.0482996486 2.6018144322 Pt 1.3342029862 1.9872061472 3.4785759339 Pt 1.5260774653 -0.3935968051 4.8122789615 Pt -0.1933957421 1.6582551842 5.5252843252 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8123283107 3.9932396833 1.9342643771 Pt -0.5333192081 5.7500494265 1.8412946956 Pt -1.0558055171 3.4065205114 3.3612874177 Pt 1.6293215512 6.0572047678 3.5204014561 Pt 1.8422589009 3.5890279806 5.5183019444 Pt -0.2890316095 5.2041355607 5.0193448507 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9071869386 8.0131943641 1.8367220704 Pt -0.4562404503 8.8921887914 2.3658118379 Pt -1.8162314276 7.0656552323 3.8835594480 Pt 0.4394183318 11.0055987273 3.3766525923 Pt 1.5987654850 8.0214581031 5.3095333588 Pt -0.6734511821 9.1618717443 4.9147655454 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8832329704 -0.6578610255 1.7000577239 Pt 3.5183929886 1.7797509182 2.0337844132 Pt 3.6571880773 -0.7657752205 3.2452487122 Pt 5.7845238902 1.4752174538 3.2617435615 Pt 5.7290318147 -0.5175546021 4.9608909469 Pt 3.6531717823 1.4468389292 4.9818400289 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8235663456 3.8302888836 1.9297380370 Pt 3.8695067845 5.8917159142 1.9296175359 Pt 3.9169657989 3.9708349980 3.8047379505 Pt 5.9453139382 5.9610514131 3.6164140963 Pt 5.8442751117 3.0019610111 5.4861760521 Pt 3.1694214291 5.8490290455 5.6955032201 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7560218144 8.0068781264 1.9077986483 Pt 4.0053610212 11.0296301875 1.0072650431 Pt 3.6796026512 8.0092322860 3.7020776484 Pt 4.9393336726 10.2188594407 3.2331904938 Pt 5.3632861581 7.2083688938 5.7716807986 Pt 2.6616891912 10.4672919156 4.5358418043 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8144035306 0.0909384568 1.8425875724 Pt 7.9489177862 1.8921169623 1.8970278899 Pt 7.3326264377 -2.0794862172 3.5539430442 Pt 11.3753949632 0.8612137338 3.7959544901 Pt 9.3974959742 -0.7680091361 4.2296643967 Pt 7.8794082066 1.2236947026 4.8524635535 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9979702911 4.0317781333 1.1385666381 Pt 7.9674564910 5.8199987417 1.8740570731 Pt 7.8379087295 3.7421053200 3.6896792007 Pt 10.0700624176 5.0504869007 3.2894089388 Pt 10.0529381301 2.8340720471 4.7322676731 Pt 7.2146527785 5.2722756525 5.7687547715 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9607411097 7.7669160342 1.2483037728 Pt 7.8303160613 11.0863860224 0.9988467485 Pt 7.8671266876 7.9249973145 3.4104155687 Pt 9.5535024433 9.7249370904 2.7435249955 Pt 9.3552241340 6.7102402389 5.1093257168 Pt 6.5157034211 9.4152444711 5.0929392284 H 2.5573107318 1.9633852611 10.7432218459 O 1.6084709358 1.9856324791 10.9601135629 H 1.3773895548 2.9320192613 10.9248308426 75 i = 83, E = -8672.1305050164 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7346090851 -1.4252893936 1.2904277285 Pt -1.3887150954 1.7533805699 1.2035152066 Pt 0.0135649492 -0.0471652584 2.6016655150 Pt 1.3345079234 1.9879517999 3.4800083380 Pt 1.5266628327 -0.3940139791 4.8118800889 Pt -0.1950359247 1.6561784829 5.5243234615 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8118138252 3.9928686534 1.9345567332 Pt -0.5336489611 5.7509390861 1.8402308767 Pt -1.0558983230 3.4064519766 3.3607194421 Pt 1.6289548369 6.0574905221 3.5197037709 Pt 1.8417414845 3.5877321387 5.5201988395 Pt -0.2882918127 5.2039545236 5.0192174542 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9072480541 8.0133333770 1.8368394901 Pt -0.4570440476 8.8924816121 2.3656233531 Pt -1.8158381694 7.0656746760 3.8836797540 Pt 0.4383927974 11.0058575506 3.3767618223 Pt 1.5990732386 8.0214040473 5.3088232375 Pt -0.6729462983 9.1617991074 4.9145832805 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8833214278 -0.6579262903 1.6998212966 Pt 3.5173813138 1.7794484127 2.0341961305 Pt 3.6578169024 -0.7673031502 3.2455501323 Pt 5.7831898414 1.4756807396 3.2612417458 Pt 5.7291794572 -0.5155546196 4.9618381521 Pt 3.6522893342 1.4454202748 4.9819087571 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8236837568 3.8303068533 1.9296950776 Pt 3.8695542474 5.8909377334 1.9290141403 Pt 3.9163092980 3.9704337296 3.8047576459 Pt 5.9452754920 5.9607346415 3.6165466280 Pt 5.8432860029 3.0025031802 5.4849129137 Pt 3.1683439729 5.8482682270 5.6957890258 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7564754810 8.0063711368 1.9073577299 Pt 4.0051388239 11.0298370691 1.0057605912 Pt 3.6802395919 8.0067405593 3.7014986209 Pt 4.9370247105 10.2173628042 3.2315896113 Pt 5.3623352604 7.2071997079 5.7727902144 Pt 2.6610463313 10.4662080485 4.5351512751 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8156966406 0.0890864630 1.8392573953 Pt 7.9492018658 1.8914830010 1.8984217274 Pt 7.3297271080 -2.0798151295 3.5550416410 Pt 11.3751352928 0.8593163932 3.7943540421 Pt 9.3988986155 -0.7721327408 4.2244559686 Pt 7.8805092001 1.2214807695 4.8482127523 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9976217208 4.0319987851 1.1389564345 Pt 7.9671287082 5.8206792744 1.8745311574 Pt 7.8377493833 3.7426197083 3.6902128534 Pt 10.0704597856 5.0504942777 3.2895677457 Pt 10.0530104790 2.8322006126 4.7294345726 Pt 7.2157743088 5.2727323819 5.7689714436 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9594539779 7.7670420633 1.2495868832 Pt 7.8305582438 11.0861295114 0.9994512128 Pt 7.8671478908 7.9260589600 3.4109516896 Pt 9.5535320347 9.7277920462 2.7462906400 Pt 9.3557065868 6.7112509783 5.1089108700 Pt 6.5129029957 9.4143918534 5.0922565761 H 2.5596332161 1.9621463911 10.7489892625 O 1.6091077231 1.9855186600 10.9589155174 H 1.3801404342 2.9325771401 10.9260951862 75 i = 84, E = -8672.1305155682 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7339622272 -1.4266892321 1.2916578439 Pt -1.3883670984 1.7539446648 1.2030608208 Pt 0.0150087550 -0.0465912083 2.6013582492 Pt 1.3345469622 1.9878941222 3.4815477525 Pt 1.5264391846 -0.3950070482 4.8117126871 Pt -0.1976320223 1.6534032078 5.5234140584 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8112977744 3.9925104354 1.9349391458 Pt -0.5341399356 5.7511549122 1.8399746904 Pt -1.0550088137 3.4056649887 3.3600764681 Pt 1.6281376074 6.0579998571 3.5192038824 Pt 1.8410533498 3.5860013783 5.5220560885 Pt -0.2875040856 5.2022496639 5.0191140304 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9065489022 8.0139144317 1.8369232184 Pt -0.4584057546 8.8915841723 2.3661137819 Pt -1.8157024685 7.0641183811 3.8851209319 Pt 0.4350341381 11.0058053494 3.3765648212 Pt 1.5997097041 8.0217493851 5.3083145221 Pt -0.6736073663 9.1608733100 4.9151644692 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8834678699 -0.6575495709 1.6992376417 Pt 3.5157597762 1.7785041090 2.0346186576 Pt 3.6582547079 -0.7696250330 3.2458494619 Pt 5.7816245354 1.4758216768 3.2603967323 Pt 5.7288201019 -0.5132972877 4.9626056401 Pt 3.6510198820 1.4440060255 4.9820556255 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8240128204 3.8301443079 1.9295467727 Pt 3.8696938664 5.8898306715 1.9284994192 Pt 3.9153652173 3.9695880746 3.8046222055 Pt 5.9455800522 5.9606409879 3.6170030367 Pt 5.8424674521 3.0018004293 5.4835487123 Pt 3.1661922543 5.8464720122 5.6959052619 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7568032219 8.0053881370 1.9067507515 Pt 4.0051380959 11.0308341937 1.0031458631 Pt 3.6806796156 8.0030642767 3.7012392472 Pt 4.9328159100 10.2153754013 3.2288606130 Pt 5.3608832559 7.2046567180 5.7744285527 Pt 2.6581299661 10.4647707922 4.5329939350 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8174676885 0.0855876685 1.8341362067 Pt 7.9503070652 1.8904808640 1.9003489211 Pt 7.3248543909 -2.0811670072 3.5556993053 Pt 11.3749030558 0.8547370401 3.7920559162 Pt 9.4009331503 -0.7801311805 4.2167969852 Pt 7.8833591079 1.2170875401 4.8410883320 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9968947290 4.0319706638 1.1390376119 Pt 7.9674382601 5.8214533069 1.8749254376 Pt 7.8374960297 3.7433040112 3.6911128726 Pt 10.0702433392 5.0494910394 3.2906394320 Pt 10.0535868383 2.8281457478 4.7250933242 Pt 7.2163148423 5.2724708111 5.7694260463 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9572279755 7.7668558462 1.2512956207 Pt 7.8307971295 11.0863528513 1.0002416348 Pt 7.8667455346 7.9276147748 3.4112755337 Pt 9.5536633219 9.7312248098 2.7501055061 Pt 9.3550577193 6.7120094849 5.1082920709 Pt 6.5072988892 9.4127230293 5.0914635208 H 2.5625766455 1.9613932656 10.7593199920 O 1.6096862719 1.9865291069 10.9596401822 H 1.3845344136 2.9347646767 10.9291495018 75 i = 85, E = -8672.1305249128 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7328802220 -1.4282492434 1.2930950267 Pt -1.3882846653 1.7541807675 1.2022315554 Pt 0.0164548456 -0.0458532538 2.6006708363 Pt 1.3347879612 1.9875955333 3.4829977095 Pt 1.5258678810 -0.3957814997 4.8119390951 Pt -0.2009561370 1.6515475306 5.5224789784 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8109707006 3.9926270448 1.9355619498 Pt -0.5352340007 5.7507957788 1.8397912519 Pt -1.0536927560 3.4047201559 3.3592718348 Pt 1.6272603794 6.0591243602 3.5189563402 Pt 1.8397513205 3.5843172066 5.5237033123 Pt -0.2869181078 5.2008033914 5.0191167387 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9057395024 8.0143115237 1.8372477106 Pt -0.4601983034 8.8908451815 2.3666364815 Pt -1.8158348002 7.0626077831 3.8860271379 Pt 0.4310272161 11.0056222676 3.3764030317 Pt 1.5992405837 8.0234851761 5.3086198545 Pt -0.6753736658 9.1609691148 4.9162055799 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8834274592 -0.6569799663 1.6982087585 Pt 3.5142239517 1.7774268463 2.0349610831 Pt 3.6582294452 -0.7713976925 3.2461292291 Pt 5.7807143694 1.4762071105 3.2593853540 Pt 5.7279544248 -0.5118621380 4.9629248619 Pt 3.6500596322 1.4440929481 4.9823679063 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8239723441 3.8300413164 1.9294839126 Pt 3.8701827731 5.8890577762 1.9282004114 Pt 3.9141888635 3.9692870623 3.8048417682 Pt 5.9463833899 5.9611810958 3.6169553148 Pt 5.8424381966 3.0008435411 5.4819007207 Pt 3.1631927308 5.8449808183 5.6965723980 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7564013524 8.0048283604 1.9058623833 Pt 4.0050003356 11.0318443882 1.0001679455 Pt 3.6801020639 8.0001789727 3.7007833227 Pt 4.9284308826 10.2129828480 3.2268590630 Pt 5.3576458585 7.2015061602 5.7758712832 Pt 2.6548425258 10.4634047476 4.5310247188 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8185901488 0.0817746079 1.8287519715 Pt 7.9515328785 1.8895273756 1.9023129603 Pt 7.3197959525 -2.0823347592 3.5561040384 Pt 11.3741435468 0.8500997990 3.7892245998 Pt 9.4039039317 -0.7901472791 4.2093772761 Pt 7.8871046596 1.2117627730 4.8332636396 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9958681831 4.0314265235 1.1402862748 Pt 7.9679421893 5.8217239661 1.8751302631 Pt 7.8368798273 3.7432790526 3.6924949866 Pt 10.0704827388 5.0482296179 3.2916951627 Pt 10.0543421178 2.8238118031 4.7209954929 Pt 7.2166905784 5.2723527121 5.7695928937 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9553095639 7.7667023470 1.2526097409 Pt 7.8310312273 11.0863010272 1.0007934160 Pt 7.8662355404 7.9287831611 3.4106474179 Pt 9.5548800503 9.7343449159 2.7544660384 Pt 9.3541260873 6.7134850885 5.1078826755 Pt 6.5020609667 9.4105308374 5.0902912188 H 2.5655076204 1.9606918624 10.7689199761 O 1.6101450362 1.9886026310 10.9588936266 H 1.3896054515 2.9383490419 10.9307451895 75 i = 86, E = -8672.1305322772 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7321949261 -1.4298255004 1.2937166089 Pt -1.3886664832 1.7537918210 1.2016955411 Pt 0.0172388496 -0.0457696710 2.5998873208 Pt 1.3350181131 1.9869127720 3.4836606939 Pt 1.5246284467 -0.3964215942 4.8122009350 Pt -0.2031598958 1.6512997251 5.5218961410 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8109807388 3.9922170739 1.9360912563 Pt -0.5361944276 5.7501495490 1.8399618543 Pt -1.0520500427 3.4031719167 3.3580875736 Pt 1.6266791473 6.0594341617 3.5191532427 Pt 1.8399252343 3.5834677224 5.5244744576 Pt -0.2859497632 5.1986054688 5.0196928739 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9048995751 8.0148334434 1.8369690370 Pt -0.4616522167 8.8889965292 2.3683637747 Pt -1.8153024497 7.0612234248 3.8881328248 Pt 0.4277893619 11.0053287278 3.3762629846 Pt 1.5998711901 8.0238441991 5.3096714359 Pt -0.6758605208 9.1601548679 4.9172612027 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8826246235 -0.6564250793 1.6974172268 Pt 3.5130929768 1.7756407398 2.0355619019 Pt 3.6582055050 -0.7732782489 3.2475530489 Pt 5.7801975481 1.4764842836 3.2582916639 Pt 5.7277599522 -0.5104130510 4.9635282180 Pt 3.6498351299 1.4444862341 4.9826483024 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8242740098 3.8300219517 1.9291152214 Pt 3.8703863795 5.8885651306 1.9279065074 Pt 3.9138039779 3.9683875395 3.8042890899 Pt 5.9469707805 5.9609445760 3.6168120079 Pt 5.8437471006 2.9991729448 5.4803239211 Pt 3.1630405605 5.8437066764 5.6960511369 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7563073688 8.0043729986 1.9053718261 Pt 4.0050026693 11.0326045729 0.9981272829 Pt 3.6795710154 7.9980873064 3.7009796701 Pt 4.9248019958 10.2118500998 3.2246309160 Pt 5.3574465376 7.1996178941 5.7763989629 Pt 2.6522372137 10.4620019352 4.5293241180 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8195782476 0.0784281622 1.8251051022 Pt 7.9528694302 1.8885497961 1.9040217940 Pt 7.3152892404 -2.0827176405 3.5557829184 Pt 11.3739800092 0.8454868817 3.7873884300 Pt 9.4076374800 -0.7995233989 4.2037464014 Pt 7.8912276541 1.2068284985 4.8260889369 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9952237683 4.0306771844 1.1402453089 Pt 7.9685536336 5.8220329386 1.8757273455 Pt 7.8372842467 3.7432180638 3.6929891863 Pt 10.0703163844 5.0474994319 3.2927932779 Pt 10.0559957171 2.8204245186 4.7170879532 Pt 7.2169389484 5.2713854966 5.7693708699 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9541908816 7.7664988007 1.2537724762 Pt 7.8313056027 11.0862689651 1.0005930680 Pt 7.8652253535 7.9295122566 3.4110597220 Pt 9.5550972530 9.7354083345 2.7572270746 Pt 9.3536482298 6.7138393524 5.1076051234 Pt 6.4979906582 9.4100083200 5.0898468950 H 2.5665638225 1.9596227272 10.7783437055 O 1.6094511418 1.9903832388 10.9598534400 H 1.3935877651 2.9414615930 10.9328457485 75 i = 87, E = -8672.1305400217 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7313762324 -1.4311979229 1.2943238525 Pt -1.3892360733 1.7537406241 1.2009257226 Pt 0.0182752714 -0.0452074966 2.5991618545 Pt 1.3349431313 1.9871398252 3.4842878570 Pt 1.5232930764 -0.3967094894 4.8121843829 Pt -0.2055300626 1.6521320542 5.5209136242 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8113952950 3.9924776685 1.9363263727 Pt -0.5371638749 5.7495694712 1.8397664445 Pt -1.0505031636 3.4024679591 3.3570693261 Pt 1.6261422683 6.0601457282 3.5193676382 Pt 1.8400736558 3.5825960838 5.5255613902 Pt -0.2861115026 5.1971210262 5.0197609338 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9038945500 8.0149363728 1.8367827130 Pt -0.4624048252 8.8876143993 2.3687774032 Pt -1.8150938274 7.0598959222 3.8893243016 Pt 0.4241416585 11.0054576192 3.3762364717 Pt 1.5987272632 8.0250241855 5.3105857021 Pt -0.6781063676 9.1606047697 4.9182934721 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8819910835 -0.6566478901 1.6967602829 Pt 3.5119386899 1.7746921542 2.0361608983 Pt 3.6575379641 -0.7741375980 3.2481935978 Pt 5.7795215493 1.4765372778 3.2569844274 Pt 5.7274157625 -0.5095766726 4.9634037755 Pt 3.6499332674 1.4457278297 4.9827223885 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8244961846 3.8302739678 1.9289678474 Pt 3.8703427124 5.8886277105 1.9279526384 Pt 3.9137320846 3.9690647867 3.8047911068 Pt 5.9477626471 5.9617760511 3.6164753269 Pt 5.8456987375 2.9975611097 5.4785637111 Pt 3.1609880606 5.8431489470 5.6966776236 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7554618903 8.0044866824 1.9050198447 Pt 4.0047851040 11.0332494283 0.9964158714 Pt 3.6777725304 7.9972344022 3.7014643998 Pt 4.9218855366 10.2106044060 3.2239902117 Pt 5.3556141444 7.1979394932 5.7764622188 Pt 2.6492506561 10.4616846107 4.5277043923 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8199362892 0.0752785608 1.8217083197 Pt 7.9541836423 1.8875419381 1.9052379612 Pt 7.3116819832 -2.0830634403 3.5548795276 Pt 11.3733834972 0.8417578065 3.7851116579 Pt 9.4121033027 -0.8102880433 4.1986111814 Pt 7.8953278613 1.2003854188 4.8186794090 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9946552782 4.0303667949 1.1409169365 Pt 7.9689351429 5.8214842425 1.8753688806 Pt 7.8373650256 3.7424639448 3.6938818018 Pt 10.0699800093 5.0468577596 3.2936493734 Pt 10.0573491586 2.8171954529 4.7134572039 Pt 7.2166528665 5.2708756577 5.7685068248 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9531050897 7.7667036805 1.2540454643 Pt 7.8310446515 11.0860902884 1.0005350953 Pt 7.8649888822 7.9298152757 3.4100313464 Pt 9.5564545824 9.7367836768 2.7602649343 Pt 9.3526638464 6.7148802738 5.1074770702 Pt 6.4951603938 9.4087067452 5.0887582624 H 2.5681669040 1.9584895912 10.7849500952 O 1.6096122400 1.9919367976 10.9586465244 H 1.3981850671 2.9443519704 10.9329678971 75 i = 88, E = -8672.1305496839 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7306415397 -1.4323276096 1.2943029163 Pt -1.3895120173 1.7536329304 1.2005996124 Pt 0.0193472347 -0.0444301295 2.5981635386 Pt 1.3348036717 1.9875696352 3.4848230983 Pt 1.5215793767 -0.3965143298 4.8116742049 Pt -0.2075219225 1.6547341571 5.5202742058 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8118886404 3.9928786869 1.9363035698 Pt -0.5379995163 5.7497735013 1.8394731074 Pt -1.0491082437 3.4023684003 3.3556189763 Pt 1.6259643929 6.0599554240 3.5196657139 Pt 1.8419437337 3.5826104240 5.5257075366 Pt -0.2860200008 5.1953810198 5.0203674766 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9040046369 8.0146134802 1.8365926335 Pt -0.4629207024 8.8854826752 2.3700621142 Pt -1.8144916750 7.0586545335 3.8913588474 Pt 0.4211500587 11.0054082275 3.3761308744 Pt 1.5982861990 8.0248462224 5.3120587063 Pt -0.6783960907 9.1604909401 4.9192483142 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8807285889 -0.6567636146 1.6963063863 Pt 3.5105426805 1.7735321494 2.0367497501 Pt 3.6571993488 -0.7752473921 3.2497406455 Pt 5.7794996701 1.4763631120 3.2555567977 Pt 5.7282214620 -0.5084484128 4.9638440828 Pt 3.6504085061 1.4466777382 4.9825636427 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8252068062 3.8307570784 1.9287060371 Pt 3.8703100079 5.8890221701 1.9280307348 Pt 3.9149285597 3.9695038522 3.8049271082 Pt 5.9478403723 5.9623075693 3.6157470019 Pt 5.8486573412 2.9953759780 5.4764946296 Pt 3.1623040102 5.8435609837 5.6962318887 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7552366933 8.0049505816 1.9050598114 Pt 4.0045147414 11.0334343034 0.9952557651 Pt 3.6764197498 7.9972680333 3.7019934974 Pt 4.9200764403 10.2102335896 3.2238752473 Pt 5.3563357230 7.1984890762 5.7758367161 Pt 2.6469482948 10.4615824991 4.5263077035 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8204066406 0.0725625333 1.8187218984 Pt 7.9553546780 1.8860582050 1.9063686617 Pt 7.3090007567 -2.0819098269 3.5530939713 Pt 11.3733517182 0.8380774464 3.7831575196 Pt 9.4180996796 -0.8207640213 4.1943540230 Pt 7.8998014088 1.1939227459 4.8110334599 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9947617975 4.0301632917 1.1411014060 Pt 7.9692125739 5.8209553272 1.8752785503 Pt 7.8385069966 3.7410622070 3.6943705985 Pt 10.0700599478 5.0470206538 3.2940593085 Pt 10.0593715691 2.8145026016 4.7102175395 Pt 7.2162360868 5.2699501798 5.7671999560 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9530346492 7.7669105978 1.2542595252 Pt 7.8307922894 11.0856383667 0.9992369293 Pt 7.8647968922 7.9299271556 3.4095921307 Pt 9.5579763505 9.7373973151 2.7631285766 Pt 9.3524081688 6.7151332567 5.1078194684 Pt 6.4948068417 9.4098654594 5.0876477457 H 2.5686667196 1.9560845081 10.7903189275 O 1.6092698680 1.9933955548 10.9582598503 H 1.4018712214 2.9466048443 10.9328128710 75 i = 89, E = -8672.1305625140 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7301874666 -1.4332007084 1.2942689534 Pt -1.3897859252 1.7538782875 1.2001860492 Pt 0.0205156345 -0.0433694471 2.5972496478 Pt 1.3344658216 1.9888830509 3.4852203120 Pt 1.5204351195 -0.3954580477 4.8106620207 Pt -0.2093472886 1.6583495973 5.5189439616 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8125465242 3.9931993527 1.9363359681 Pt -0.5382558517 5.7509506481 1.8386058042 Pt -1.0483244416 3.4033264673 3.3538488672 Pt 1.6254768540 6.0596265920 3.5199991479 Pt 1.8440059791 3.5832423610 5.5254077478 Pt -0.2864393741 5.1945453231 5.0207681173 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9043357419 8.0142916969 1.8360801417 Pt -0.4623085397 8.8841696879 2.3705336651 Pt -1.8139648081 7.0580287702 3.8923108180 Pt 0.4185400305 11.0058842982 3.3761747596 Pt 1.5970870995 8.0246855637 5.3124374010 Pt -0.6797169472 9.1608255568 4.9195783227 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8801472516 -0.6576349356 1.6958692079 Pt 3.5097347044 1.7733813396 2.0376158110 Pt 3.6567483969 -0.7755184561 3.2502510950 Pt 5.7790355724 1.4759872928 3.2540666487 Pt 5.7293659389 -0.5076517862 4.9633606159 Pt 3.6508952026 1.4469990572 4.9817011424 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8260586033 3.8312147689 1.9287085075 Pt 3.8699336001 5.8896390126 1.9281624499 Pt 3.9172119114 3.9712042175 3.8057434502 Pt 5.9479827476 5.9631236518 3.6153050857 Pt 5.8513241727 2.9933228833 5.4745109480 Pt 3.1631002044 5.8452714758 5.6961161752 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7548280022 8.0058924948 1.9052559111 Pt 4.0041435926 11.0332077080 0.9952203603 Pt 3.6754576673 7.9981902730 3.7026809274 Pt 4.9195765393 10.2108995019 3.2246233531 Pt 5.3574560439 7.2007332928 5.7743998995 Pt 2.6452162883 10.4625116089 4.5254201330 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8213641990 0.0704362007 1.8160749746 Pt 7.9560145453 1.8848109821 1.9071911081 Pt 7.3080142090 -2.0806473176 3.5504464123 Pt 11.3731934247 0.8357020891 3.7816564814 Pt 9.4237444051 -0.8295929534 4.1906629236 Pt 7.9035405228 1.1880295426 4.8046049743 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9951526778 4.0306699301 1.1409783244 Pt 7.9690101708 5.8202052157 1.8752437512 Pt 7.8400817657 3.7394750830 3.6946613758 Pt 10.0697612219 5.0472870111 3.2938942295 Pt 10.0615575339 2.8123529430 4.7077758570 Pt 7.2156623002 5.2696288723 5.7651179284 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9531067621 7.7674264388 1.2536668666 Pt 7.8303886068 11.0852135676 0.9978620630 Pt 7.8658664548 7.9301103117 3.4083657412 Pt 9.5600414742 9.7390604302 2.7651899164 Pt 9.3519956293 6.7156664576 5.1078234039 Pt 6.4967446214 9.4110864746 5.0865758844 H 2.5693602614 1.9534022251 10.7912856643 O 1.6097163034 1.9934146525 10.9570703561 H 1.4051053010 2.9470865765 10.9311593182 75 i = 90, E = -8672.1305848351 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7256631071 -1.4416828778 1.2965019548 Pt -1.3907319192 1.7562866747 1.1975490610 Pt 0.0315063919 -0.0342218776 2.5902625142 Pt 1.3317533109 1.9977980777 3.4911694009 Pt 1.5113591830 -0.3900972012 4.8036258393 Pt -0.2266410935 1.6749322988 5.5104144617 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8161101808 3.9954243675 1.9370658771 Pt -0.5402330686 5.7577639147 1.8325938096 Pt -1.0416237029 3.4069177187 3.3408866940 Pt 1.6206132882 6.0595128116 3.5208805439 Pt 1.8558966599 3.5841789866 5.5276294369 Pt -0.2870023937 5.1839284154 5.0237097955 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9045789354 8.0137439198 1.8347536654 Pt -0.4635414202 8.8743350649 2.3745397082 Pt -1.8112670956 7.0484045499 3.9008567167 Pt 0.3930773566 11.0095453905 3.3758670184 Pt 1.5880121063 8.0259799915 5.3134413706 Pt -0.6922638489 9.1618891515 4.9221905307 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8755319599 -0.6614329112 1.6912244040 Pt 3.4993949032 1.7706551510 2.0433860224 Pt 3.6544289199 -0.7820261059 3.2544631601 Pt 5.7734395998 1.4731669565 3.2417765545 Pt 5.7358029523 -0.4985834860 4.9618546191 Pt 3.6509140339 1.4468267834 4.9755399920 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8319810655 3.8337012276 1.9281847399 Pt 3.8685568984 5.8918658528 1.9279858927 Pt 3.9297370981 3.9807445455 3.8112586974 Pt 5.9493808802 5.9681707492 3.6124872047 Pt 5.8672722298 2.9771785465 5.4582566507 Pt 3.1625105707 5.8537689126 5.6962192383 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7526806534 8.0101653458 1.9059296858 Pt 4.0019653546 11.0340539736 0.9880215961 Pt 3.6686865391 7.9969079342 3.7064305657 Pt 4.9048997687 10.2101045332 3.2253893619 Pt 5.3595705024 7.2067761617 5.7701231949 Pt 2.6252876898 10.4652268151 4.5156569996 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8324575416 0.0487654111 1.7874608266 Pt 7.9640126785 1.8734070956 1.9164617096 Pt 7.2891786135 -2.0760347012 3.5364710571 Pt 11.3723964204 0.8083974998 3.7675828396 Pt 9.4667969790 -0.9082549477 4.1478086344 Pt 7.9346596539 1.1394580305 4.7452688844 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9965402846 4.0329290425 1.1394749441 Pt 7.9689930451 5.8169986919 1.8750810056 Pt 7.8487604422 3.7306881185 3.6986985053 Pt 10.0681974536 5.0454126337 3.2944991282 Pt 10.0761199196 2.7887282367 4.6820152879 Pt 7.2129790335 5.2655482390 5.7543722105 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9498667833 7.7696248427 1.2540953721 Pt 7.8292476582 11.0824392913 0.9896153180 Pt 7.8702891209 7.9353354081 3.4006742447 Pt 9.5750700127 9.7567111774 2.7884912978 Pt 9.3485171090 6.7187402367 5.1049775785 Pt 6.4952334263 9.4148410721 5.0776672516 H 2.5805784124 1.9336382862 10.8206482652 O 1.6145180310 1.9952677298 10.9518973356 H 1.4360965649 2.9545832193 10.9292157233 75 i = 91, E = -8672.1306392088 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7257587222 -1.4413827524 1.2970883898 Pt -1.3900055088 1.7569582636 1.1977730922 Pt 0.0333307113 -0.0322000862 2.5901156434 Pt 1.3328182567 1.9986279901 3.4926756060 Pt 1.5122328192 -0.3880678316 4.8037309783 Pt -0.2292286481 1.6793909020 5.5094377329 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8163090856 3.9952281856 1.9367531386 Pt -0.5392038160 5.7589424631 1.8327454603 Pt -1.0398558248 3.4090125062 3.3397599050 Pt 1.6202909710 6.0590956120 3.5207559703 Pt 1.8583541846 3.5872484956 5.5260294599 Pt -0.2865187607 5.1844441830 5.0250655573 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9052909622 8.0137394501 1.8357249282 Pt -0.4632132500 8.8749435936 2.3751466926 Pt -1.8103788835 7.0482402361 3.9015020900 Pt 0.3930454713 11.0109052722 3.3763748658 Pt 1.5891173315 8.0260567516 5.3123773788 Pt -0.6912274147 9.1627800202 4.9227816307 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8749273132 -0.6599247734 1.6896669406 Pt 3.4986718610 1.7710364993 2.0428731869 Pt 3.6547554761 -0.7825604015 3.2547345785 Pt 5.7734289341 1.4734370248 3.2409323065 Pt 5.7374525550 -0.4969940598 4.9613790078 Pt 3.6506961714 1.4471339420 4.9749306405 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8336021277 3.8343148667 1.9279606757 Pt 3.8687859276 5.8921690247 1.9275199021 Pt 3.9327895641 3.9815392295 3.8110751785 Pt 5.9494258094 5.9690697319 3.6126826536 Pt 5.8667933018 2.9765751461 5.4584991482 Pt 3.1667078324 5.8566214246 5.6939900513 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7537031082 8.0110527394 1.9060667684 Pt 4.0018601378 11.0334047899 0.9885464651 Pt 3.6711003601 7.9965876782 3.7061044168 Pt 4.9057991095 10.2113647691 3.2265140301 Pt 5.3632161189 7.2115403337 5.7700887640 Pt 2.6250021971 10.4642009220 4.5147934616 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8354384148 0.0465919100 1.7842324550 Pt 7.9656287705 1.8717425752 1.9176854085 Pt 7.2906112962 -2.0712789637 3.5338805713 Pt 11.3728582456 0.8075883274 3.7663826568 Pt 9.4750361373 -0.9146294026 4.1437342528 Pt 7.9374550981 1.1366124965 4.7396918537 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9965917227 4.0330229013 1.1386782380 Pt 7.9695553393 5.8175564694 1.8753805755 Pt 7.8505988330 3.7302015456 3.6994635159 Pt 10.0695453121 5.0450152492 3.2940798657 Pt 10.0779857338 2.7879607046 4.6809388171 Pt 7.2128023427 5.2653406184 5.7542634715 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9502250499 7.7688702533 1.2542450061 Pt 7.8286462466 11.0823858820 0.9867700612 Pt 7.8716249686 7.9371563249 3.3999170768 Pt 9.5794892693 9.7578722484 2.7925266675 Pt 9.3484369079 6.7186185801 5.1038511134 Pt 6.4995904044 9.4191632912 5.0767118631 H 2.5789301468 1.9298485510 10.8193778163 O 1.6140481036 1.9952568259 10.9512172954 H 1.4383490787 2.9546527718 10.9263101875 75 i = 92, E = -8672.1309536281 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7199132425 -1.4519359569 1.3065455161 Pt -1.3843137991 1.7645476632 1.1948762967 Pt 0.0608072445 -0.0072539731 2.5803355086 Pt 1.3389661911 2.0132075528 3.5126702567 Pt 1.5091790794 -0.3704547319 4.7980948758 Pt -0.2766183682 1.7288357948 5.4870970146 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8208806361 3.9972058390 1.9378949192 Pt -0.5351349807 5.7723013616 1.8239490054 Pt -1.0146262809 3.4287299952 3.3129812393 Pt 1.6115611158 6.0589343429 3.5207519212 Pt 1.8848303195 3.6112617146 5.5199783028 Pt -0.2830493377 5.1750638407 5.0380961304 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9071398276 8.0171401117 1.8411939610 Pt -0.4687227898 8.8736729085 2.3800605860 Pt -1.7996501450 7.0343524669 3.9120035251 Pt 0.3539620027 11.0265071468 3.3802772663 Pt 1.5845876191 8.0370823557 5.3037755835 Pt -0.7083878606 9.1694242133 4.9247336904 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8663378471 -0.6503507697 1.6681295420 Pt 3.4816548154 1.7681386126 2.0468004710 Pt 3.6553301961 -0.7973443307 3.2571736875 Pt 5.7653752811 1.4778866915 3.2206040642 Pt 5.7502607297 -0.4717823801 4.9538171133 Pt 3.6467987016 1.4476502965 4.9623950989 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8523855794 3.8422718469 1.9248150499 Pt 3.8708986513 5.8943441031 1.9231832294 Pt 3.9663871862 3.9965075880 3.8152957684 Pt 5.9549147695 5.9825364787 3.6111445391 Pt 5.8767889537 2.9555007994 5.4379480633 Pt 3.1904030292 5.8873317577 5.6757596951 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7573706872 8.0195836608 1.9050199001 Pt 3.9996722945 11.0332549265 0.9801158936 Pt 3.6814032386 7.9844474662 3.7073067721 Pt 4.8896071811 10.2147550633 3.2316153528 Pt 5.3889698314 7.2489631538 5.7674120846 Pt 2.5957737119 10.4580147720 4.4912371793 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8793853696 -0.0039411430 1.7098065091 Pt 7.9910815208 1.8431849914 1.9456422912 Pt 7.2681025425 -2.0299414560 3.4987507183 Pt 11.3750834671 0.7643585949 3.7369467270 Pt 9.5944026185 -1.0701351509 4.0448314802 Pt 8.0033588772 1.0521768685 4.6151128953 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9965681002 4.0341262347 1.1326000808 Pt 7.9755968941 5.8198094338 1.8794727854 Pt 7.8706761898 3.7162300812 3.7115871916 Pt 10.0775253046 5.0367370494 3.2938142298 Pt 10.1124531178 2.7493237831 4.6332475097 Pt 7.2117123867 5.2592805236 5.7397813687 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9463981003 7.7662141599 1.2569343629 Pt 7.8224890029 11.0792876178 0.9582827896 Pt 7.8874480483 7.9618070863 3.3804381277 Pt 9.6409521820 9.7943083413 2.8658770648 Pt 9.3418569954 6.7269140708 5.0881825240 Pt 6.5221396036 9.4498782713 5.0577357039 H 2.5871885254 1.8757080747 10.8542439247 O 1.6197446983 1.9982318629 10.9405041118 H 1.5009255861 2.9669890130 10.9070619289 75 i = 93, E = -8672.1094475611 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6984380586 -1.4801043938 1.2628497878 Pt -1.3827784047 1.7562137797 1.1765536533 Pt 0.0713419564 -0.0323374765 2.5654225463 Pt 1.3170625833 2.0333380227 3.4943827058 Pt 1.4592874407 -0.4041368557 4.7902728269 Pt -0.3173247447 1.7450365672 5.4542502559 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7977332276 3.9984223569 1.9552996873 Pt -0.5623846054 5.7672395573 1.8054712413 Pt -1.0206067938 3.3801667662 3.2928601903 Pt 1.6100112308 6.0897752081 3.5218249108 Pt 1.8670653942 3.5952213708 5.5659843687 Pt -0.2914952991 5.1666536304 5.0151914046 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.8953875836 8.0179074904 1.8420660240 Pt -0.4725984799 8.8616984537 2.3545657210 Pt -1.8150899906 7.0395296940 3.8929806728 Pt 0.3092884896 11.0257007257 3.3687976645 Pt 1.5594352349 8.0807283348 5.3148234159 Pt -0.7595672478 9.1807314909 4.9278808939 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8538710218 -0.6494578319 1.7070135270 Pt 3.4821736095 1.7453422108 2.0650940888 Pt 3.6426042769 -0.8119375367 3.2534578731 Pt 5.7784600944 1.5043378149 3.2286048455 Pt 5.7057676266 -0.4619244782 4.9536529675 Pt 3.6690427696 1.4502155525 4.9625769134 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8432836536 3.8545859371 1.9163011964 Pt 3.8627847450 5.8950026928 1.9249829478 Pt 3.9144186148 4.0129715160 3.8196699996 Pt 5.9565908341 5.9839049307 3.6038741293 Pt 5.9086341762 2.9742407037 5.4072143804 Pt 3.1576163839 5.8918619822 5.6871817426 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7600319429 8.0228046109 1.9186064701 Pt 4.0137631542 11.0523784043 0.9846963850 Pt 3.6331391725 8.0154612189 3.7269503443 Pt 4.9452245467 10.2262344257 3.2377774230 Pt 5.3472959054 7.2304480207 5.7352934080 Pt 2.5644332129 10.4930490415 4.4656316962 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.8881441110 -0.0373515993 1.7026741231 Pt 8.0191938450 1.7918581356 1.8844447463 Pt 7.2934191778 -2.0401222690 3.5341175895 Pt 11.3159739268 0.6776347282 3.6900225724 Pt 9.5831494074 -1.3201351509 3.8606135213 Pt 8.1124829116 0.9527747197 4.6011918285 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9984176660 4.0486081186 1.1492121480 Pt 7.9791506174 5.7884840947 1.8860392633 Pt 7.8850412668 3.6643961949 3.7074138340 Pt 10.0454757668 5.0818915196 3.3180736039 Pt 10.1240117477 2.7701009923 4.6337830087 Pt 7.1972065600 5.2654460894 5.7021778805 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9211012255 7.8172238491 1.2419495277 Pt 7.8322991334 11.0685399642 0.9807679644 Pt 7.9449460295 7.9715234599 3.3617213870 Pt 9.6239692287 9.9529728204 2.9210058921 Pt 9.3643031397 6.7463379450 5.1085725186 Pt 6.5398354998 9.4248307958 5.0274226001 H 2.6073062153 1.8873479751 10.8965256905 O 1.6351116308 2.0118309120 10.9006366391 H 1.5568753430 2.9828160663 10.9071058986 75 i = 94, E = -8672.1321390323 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7215734519 -1.4518896869 1.3009623984 Pt -1.3808848531 1.7626093668 1.1962212897 Pt 0.0678057955 -0.0043835879 2.5796732723 Pt 1.3466102497 2.0140987844 3.5167113635 Pt 1.5132430013 -0.3667047088 4.8073792177 Pt -0.2958675244 1.7512075796 5.4779274863 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8177902988 3.9977624684 1.9413320200 Pt -0.5305567833 5.7679952243 1.8191852571 Pt -1.0032191788 3.4297709292 3.3043212869 Pt 1.6084948628 6.0662915862 3.5209095679 Pt 1.8824137640 3.6348367626 5.5174767165 Pt -0.2856374113 5.1817047119 5.0397919405 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9022467612 8.0243168199 1.8481023143 Pt -0.4747935159 8.9031394427 2.3675691365 Pt -1.7930628747 7.0391548268 3.8919914114 Pt 0.3571926812 11.0381759050 3.3866118428 Pt 1.5793451599 8.0604984963 5.2928137845 Pt -0.7278659320 9.1798944470 4.9112380197 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8651259943 -0.6348164373 1.6647549086 Pt 3.4890577512 1.7694279425 2.0428880890 Pt 3.6522038924 -0.7957297909 3.2483832074 Pt 5.7750441942 1.4962606651 3.2276199526 Pt 5.7379783320 -0.4611244578 4.9445237933 Pt 3.6476473792 1.4503569030 4.9583190098 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8557521364 3.8464483535 1.9201311125 Pt 3.8730954636 5.8945529360 1.9217807782 Pt 3.9656095209 3.9998765350 3.8128525239 Pt 5.9581588315 5.9801862617 3.6106398869 Pt 5.8626121699 2.9730410180 5.4411499700 Pt 3.1970107485 5.9103194605 5.6636534462 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7610763788 8.0191014096 1.9080536930 Pt 4.0050848077 11.0326914642 0.9931063865 Pt 3.6915848295 7.9860228073 3.7053137717 Pt 4.9123379162 10.2207233865 3.2421143271 Pt 5.4003583555 7.2642035654 5.7627625754 Pt 2.5988247590 10.4550104739 4.4881285540 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.9054884444 -0.0153501174 1.6857741639 Pt 8.0050334795 1.8298667983 1.9474436639 Pt 7.2820515911 -2.0029832526 3.5040580989 Pt 11.3732464381 0.7556129734 3.7396747372 Pt 9.6372869122 -1.1113929643 4.0009864537 Pt 8.0342034802 1.0453484954 4.6040416315 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9937608867 4.0303690290 1.1295891262 Pt 7.9808328803 5.8239548773 1.8831234078 Pt 7.8751616441 3.7092164373 3.7073087901 Pt 10.0815992149 5.0392137164 3.2914080102 Pt 10.1223000386 2.7622735319 4.6350554070 Pt 7.2238011460 5.2616062734 5.7354285020 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9488193039 7.7686262731 1.2500239734 Pt 7.8213685317 11.0831017176 0.9542250768 Pt 7.9021590124 7.9778759944 3.3721357120 Pt 9.6682668148 9.8019779144 2.8864125804 Pt 9.3508939486 6.7349433153 5.0773061154 Pt 6.5493207991 9.4574146147 5.0592287111 H 2.5798448514 1.8593818155 10.8247281958 O 1.6225222851 1.9926657922 10.9313997899 H 1.5125213099 2.9600620069 10.9015436915 75 i = 95, E = -8672.1321188243 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7228553732 -1.4523541378 1.3053825466 Pt -1.3771101180 1.7662933384 1.2012882080 Pt 0.0966962664 0.0225856981 2.5801885467 Pt 1.3668855222 2.0259315984 3.5420094919 Pt 1.5196093998 -0.3453849749 4.8059089034 Pt -0.3238522143 1.8073670448 5.4631560311 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8287045451 3.9901893567 1.9351183238 Pt -0.5260628611 5.7761752890 1.8146894530 Pt -0.9702985516 3.4571915759 3.2873913361 Pt 1.6072441418 6.0538007451 3.5156849160 Pt 1.9169036026 3.6714517359 5.5074716531 Pt -0.2767344546 5.1817388344 5.0597568007 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9088207658 8.0265901413 1.8559771223 Pt -0.4702262271 8.9050688563 2.3757528299 Pt -1.7663483242 7.0383711988 3.9113006469 Pt 0.3583507189 11.0539786567 3.3948201476 Pt 1.5944373022 8.0492759091 5.2861165207 Pt -0.7118072848 9.1920044558 4.9204378734 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8567988790 -0.6215693626 1.6501275679 Pt 3.4816200103 1.7654920265 2.0419624927 Pt 3.6620142320 -0.8069080967 3.2683966515 Pt 5.7705642574 1.5124134317 3.2148338276 Pt 5.7630878259 -0.4200774554 4.9495680540 Pt 3.6501432505 1.4587538010 4.9601108068 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8765219986 3.8567033965 1.9113556098 Pt 3.8736608155 5.8972414907 1.9147391207 Pt 3.9943059918 4.0013296591 3.8000651186 Pt 5.9585803638 5.9846899444 3.6093325860 Pt 5.8699288368 2.9703229225 5.4266675918 Pt 3.2591189419 5.9368229676 5.6317438631 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7783589246 8.0248467883 1.9048860431 Pt 4.0002289112 11.0280554269 0.9891793562 Pt 3.7222736370 7.9717129172 3.7033324961 Pt 4.9160847462 10.2215030040 3.2407328415 Pt 5.4621466859 7.3120779493 5.7656665994 Pt 2.6038103080 10.4313797740 4.4679716719 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.9483159874 -0.0529306785 1.6269853933 Pt 8.0278316393 1.8090145387 1.9816828193 Pt 7.2739696949 -1.9381350724 3.4775237890 Pt 11.3848213247 0.7396183151 3.7276240967 Pt 9.7659247503 -1.2319156837 3.9376586191 Pt 8.0976083178 0.9874161235 4.4935049628 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9961532430 4.0267073113 1.1184303742 Pt 7.9849924297 5.8389956159 1.8860115515 Pt 7.8927459278 3.7088304632 3.7103488565 Pt 10.0956186755 5.0417072955 3.2769274382 Pt 10.1593917000 2.7444235901 4.5959773580 Pt 7.2359846116 5.2576182143 5.7242366808 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9495847054 7.7654455575 1.2571793758 Pt 7.8173873468 11.0824077829 0.9398586389 Pt 7.9165338345 7.9979787230 3.3758338866 Pt 9.7119451683 9.8105129761 2.9317557764 Pt 9.3573847744 6.7367884301 5.0669297243 Pt 6.5845029504 9.5104817475 5.0522757908 H 2.5727086963 1.7965263699 10.8422624446 O 1.6124964122 1.9867786821 10.9251244007 H 1.5518538075 2.9632896619 10.8820427950 75 i = 96, E = -8672.1354871041 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7192860899 -1.4611465908 1.2818966506 Pt -1.3903319790 1.7578851214 1.1979456114 Pt 0.0985394103 0.0224343045 2.5701631235 Pt 1.3626085666 2.0331646715 3.5393516487 Pt 1.4945121429 -0.3587086414 4.8005716450 Pt -0.3239606750 1.8119928463 5.4649012198 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8297093895 3.9919139535 1.9389315695 Pt -0.5431300835 5.7682877874 1.8058387437 Pt -0.9776634376 3.4335158861 3.2900455487 Pt 1.5994820931 6.0646575363 3.5169443426 Pt 1.9067389854 3.6598515382 5.5307038016 Pt -0.2925953860 5.1796461810 5.0471657463 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.8998741266 8.0268694714 1.8498002413 Pt -0.4703828375 8.9006423292 2.3678298144 Pt -1.7678908999 7.0458120595 3.8994458779 Pt 0.3470495578 11.0551808190 3.3981049040 Pt 1.5605107134 8.0587277446 5.2955589273 Pt -0.7447672506 9.2105884874 4.9191199840 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8501733778 -0.6294316360 1.6856518957 Pt 3.4904902298 1.7661483770 2.0505621142 Pt 3.6460886639 -0.8000082475 3.2817529969 Pt 5.7897958059 1.5260465255 3.2211857627 Pt 5.7482708554 -0.4092166407 4.9541006037 Pt 3.6648799910 1.4750651288 4.9654555587 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8631043523 3.8626611022 1.9104036284 Pt 3.8623350422 5.9098464853 1.9228295616 Pt 3.9631820170 4.0170975510 3.8062948628 Pt 5.9558216375 5.9794462756 3.6050943451 Pt 5.8899390513 2.9885839695 5.4178401034 Pt 3.2196864248 5.9356471113 5.6548609051 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7741227083 8.0298523083 1.9132532007 Pt 4.0023015942 11.0268982844 0.9990653322 Pt 3.6877474606 8.0040722471 3.7143453549 Pt 4.9338218688 10.2262741393 3.2511565269 Pt 5.4343848112 7.2789163897 5.7439178327 Pt 2.5976854610 10.4464252321 4.4632328953 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.9304512576 -0.0552176797 1.6401958198 Pt 8.0292871692 1.8019188630 1.9533990835 Pt 7.2824357474 -1.9540014691 3.5136576717 Pt 11.3670438642 0.7158200086 3.7310687635 Pt 9.7807901745 -1.3101043849 3.9061158949 Pt 8.1354467611 0.9372998656 4.4957178243 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9938654648 4.0280313862 1.1259360687 Pt 7.9787893051 5.8251242934 1.8810378418 Pt 7.8927567859 3.6893625148 3.6982348629 Pt 10.0758335043 5.0617761960 3.2823350974 Pt 10.1608710527 2.7522968526 4.6054411910 Pt 7.2433337002 5.2597141118 5.7040465527 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9469697996 7.7832709465 1.2389139317 Pt 7.8224604618 11.0794297422 0.9692402744 Pt 7.9286817438 7.9868958367 3.3743789957 Pt 9.6784626086 9.8078453684 2.8895051161 Pt 9.3705075781 6.7434378698 5.0803247425 Pt 6.5849959631 9.4764204521 5.0569208485 H 2.5803124380 1.8077030582 10.8418584427 O 1.6144969163 1.9914873079 10.9002004956 H 1.5652957497 2.9716137247 10.8906149496 75 i = 97, E = -8672.1388356649 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7159417346 -1.4509203107 1.2689616756 Pt -1.3966366623 1.7444915006 1.1984820243 Pt 0.0768264187 0.0060886217 2.5689495080 Pt 1.3691005918 2.0210506743 3.5292862558 Pt 1.4904944015 -0.3810118792 4.8032562677 Pt -0.3399393182 1.8259445549 5.4504397462 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8209134931 3.9980693411 1.9487265424 Pt -0.5567135262 5.7622742471 1.7893988722 Pt -0.9866292534 3.4156243642 3.2774943736 Pt 1.5894544267 6.0770184698 3.5201101182 Pt 1.8824472051 3.6707264005 5.5448191186 Pt -0.3152955416 5.1876997351 5.0258936581 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.8861398217 8.0329447213 1.8542148644 Pt -0.4881842605 8.9456406118 2.3372820889 Pt -1.7790325846 7.0557159630 3.8518615310 Pt 0.3434832077 11.0664035061 3.3957529851 Pt 1.5332455842 8.0959573147 5.2806466908 Pt -0.7911112733 9.2206347986 4.8777234348 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8550470825 -0.6247531587 1.7005300023 Pt 3.5291872274 1.7734691831 2.0493246557 Pt 3.6358496326 -0.7851678931 3.2540543991 Pt 5.8269615263 1.5567260830 3.2491396775 Pt 5.7079408614 -0.4067294822 4.9334431749 Pt 3.6691106020 1.4841556945 4.9619168858 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8438646211 3.8670731427 1.9084202938 Pt 3.8558311992 5.9194788100 1.9323725300 Pt 3.9354863567 4.0272442537 3.8097627925 Pt 5.9544165823 5.9762745382 3.5960894299 Pt 5.8599948547 3.0372430831 5.4353297849 Pt 3.1794237134 5.9559947321 5.6609696668 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7617044860 8.0322184243 1.9227771621 Pt 4.0149767944 11.0363183239 1.0340638020 Pt 3.6623939764 8.0428853338 3.7135398575 Pt 4.9960665905 10.2523818048 3.2822769681 Pt 5.4074839938 7.2686273405 5.7179700202 Pt 2.6077763651 10.4644878094 4.4537805542 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.9318357893 -0.0562033183 1.6529286474 Pt 8.0353308585 1.7927605715 1.9200453841 Pt 7.3415305659 -1.9413222927 3.5661924843 Pt 11.3441648270 0.7150047933 3.7365958926 Pt 9.7998049774 -1.3408273836 3.8712519305 Pt 8.1635618775 0.9198938003 4.5337501517 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9867692223 4.0259472031 1.1379698360 Pt 7.9781566234 5.8121435765 1.8781850276 Pt 7.8871775195 3.6636202305 3.6831224346 Pt 10.0657083787 5.0736929478 3.2946405251 Pt 10.1541367181 2.7964707240 4.6378544240 Pt 7.2601126302 5.2697791474 5.6851466195 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9545007924 7.7998928292 1.2152211416 Pt 7.8263084907 11.0824361138 0.9943308684 Pt 7.9381498881 7.9775741775 3.3460670503 Pt 9.6633942801 9.7898316789 2.8206380945 Pt 9.3821524415 6.7721642846 5.0755048076 Pt 6.6322686753 9.4448583135 5.0587748843 H 2.5711814239 1.8282784118 10.7623639545 O 1.6218127773 1.9919710671 10.8709957948 H 1.5562864146 2.9616013337 10.8887827238 75 i = 98, E = -8672.1424533599 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7204191654 -1.4482161881 1.2500044436 Pt -1.4097190535 1.7346768523 1.2013651880 Pt 0.1051636821 0.0368822261 2.5586429750 Pt 1.4004505427 2.0327229145 3.5551019428 Pt 1.4845603947 -0.3751920787 4.8022358359 Pt -0.3926075499 1.9178836029 5.4233331590 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8243810966 3.9920352024 1.9531435804 Pt -0.5610481837 5.7654086924 1.7727971268 Pt -0.9563891656 3.4206549449 3.2475295655 Pt 1.5742019097 6.0804178896 3.5162807543 Pt 1.8952654586 3.7292955170 5.5536997649 Pt -0.3301531000 5.1922300309 5.0348203792 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.8774294238 8.0422069457 1.8667334874 Pt -0.4959989140 8.9953412522 2.3169008753 Pt -1.7614264894 7.0643999127 3.8245951941 Pt 0.3368821338 11.0989720075 3.4031323371 Pt 1.5124949458 8.1240038188 5.2548261951 Pt -0.8274320575 9.2524819498 4.8523367232 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8493189222 -0.5924088318 1.7140848052 Pt 3.5611318995 1.7840993440 2.0436746390 Pt 3.6269100763 -0.7755992375 3.2605398040 Pt 5.8661640691 1.6108461409 3.2680950417 Pt 5.6904075297 -0.3468959698 4.9261304479 Pt 3.6789919789 1.5054725039 4.9593642705 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8473067211 3.8868819304 1.8958189322 Pt 3.8444495754 5.9378565708 1.9350990069 Pt 3.9374503382 4.0475255878 3.8029612370 Pt 5.9522037823 5.9783987750 3.5880759296 Pt 5.8347724250 3.0924672819 5.4382132922 Pt 3.2028491183 6.0173311207 5.6340457456 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7672092386 8.0444417634 1.9300029360 Pt 4.0261977190 11.0318489166 1.0774991882 Pt 3.6780581398 8.0843473354 3.7122649484 Pt 5.0847400706 10.2862870535 3.3189124470 Pt 5.4451575266 7.3173363586 5.6914762430 Pt 2.6153392671 10.4579516797 4.4183336156 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 9.9824052019 -0.1029836125 1.5944559766 Pt 8.0701979805 1.7657443894 1.9142742044 Pt 7.4035003235 -1.8406063936 3.5993030263 Pt 11.3323512593 0.6824948868 3.7330704304 Pt 10.0135591428 -1.5523714150 3.7508216831 Pt 8.2927085407 0.7974227912 4.4299597593 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9814434377 4.0225079674 1.1375922935 Pt 7.9784836094 5.8074809980 1.8774448357 Pt 7.9033790012 3.6299552435 3.6738095290 Pt 10.0627026490 5.0889423961 3.2919163396 Pt 10.1854731554 2.8211661884 4.6351984917 Pt 7.2892662673 5.2781880942 5.6546934048 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9642733110 7.8037367251 1.1911073086 Pt 7.8250602311 11.0903668678 1.0102827004 Pt 7.9642123838 7.9833441743 3.3250762313 Pt 9.6841283697 9.7512587920 2.7554615376 Pt 9.4081674276 6.7980438654 5.0668771747 Pt 6.7366192722 9.4690563710 5.0565720406 H 2.5435877212 1.7756623231 10.6971251520 O 1.6092946992 1.9918730345 10.8303767274 H 1.6003425425 2.9644990240 10.8667556917 75 i = 99, E = -8672.1485604256 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7354219312 -1.4467332519 1.2248068682 Pt -1.4378647601 1.7200959241 1.2074802940 Pt 0.1460381788 0.0867478620 2.5503899968 Pt 1.4442018797 2.0461416502 3.5899240990 Pt 1.4788304092 -0.3705948845 4.7940115566 Pt -0.4359520130 2.0222468038 5.4035593288 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8284056252 3.9730958644 1.9527780300 Pt -0.5633850510 5.7704912799 1.7656319304 Pt -0.9185838752 3.4305767456 3.2223897938 Pt 1.5587170415 6.0753787234 3.5062132305 Pt 1.9045709940 3.7944408331 5.5635724003 Pt -0.3441105012 5.2059127026 5.0570860657 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.8735553716 8.0452279525 1.8801125521 Pt -0.4861823611 9.0233518638 2.3091575099 Pt -1.7482903854 7.0796829201 3.8074923323 Pt 0.3397107927 11.1340268837 3.4074686314 Pt 1.4961653753 8.1249378628 5.2232579340 Pt -0.8425988316 9.2877277204 4.8493665075 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8490809108 -0.5510810004 1.7504932984 Pt 3.6038904767 1.8049576709 2.0284987810 Pt 3.6240218023 -0.7550189023 3.2889688513 Pt 5.9132296241 1.6698139677 3.3005660496 Pt 5.6814706520 -0.2772467387 4.9370231077 Pt 3.6944334144 1.5339933300 4.9681389456 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8499656504 3.9081577448 1.8839370152 Pt 3.8252250049 5.9617445902 1.9395669988 Pt 3.9341796142 4.0666591189 3.7883784803 Pt 5.9465151291 5.9827648910 3.5816830788 Pt 5.7986711648 3.1720446359 5.4518484535 Pt 3.2415733686 6.0765020423 5.6013564955 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7741291008 8.0598577485 1.9312198849 Pt 4.0394886032 11.0172151982 1.1362600916 Pt 3.7116863187 8.1486199988 3.7118140017 Pt 5.2104261907 10.3296038249 3.3564990438 Pt 5.4910504628 7.3739231510 5.6643112769 Pt 2.6339321532 10.4477712978 4.3743099178 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.0238860585 -0.1559467766 1.5573997783 Pt 8.0994417383 1.7531582469 1.9072239631 Pt 7.5174857314 -1.7079987264 3.6550294687 Pt 11.3159562352 0.6600000739 3.7383700193 Pt 10.2635591428 -1.7425011310 3.6651993718 Pt 8.4457871568 0.6451256081 4.3013204132 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9765763385 4.0209804517 1.1449644602 Pt 7.9739055729 5.7955883123 1.8707431181 Pt 7.9190860779 3.6044803732 3.6706546628 Pt 10.0515703459 5.1118413690 3.2902830707 Pt 10.2167238578 2.8563726862 4.6478502521 Pt 7.3196684235 5.2917505136 5.6295435924 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9867484696 7.7809410282 1.1542617114 Pt 7.8244792102 11.1085636524 1.0507235867 Pt 7.9701033361 7.9611517883 3.3207135367 Pt 9.6687425269 9.6253775622 2.5810249551 Pt 9.4430655644 6.8193918586 5.0760495153 Pt 6.8686636623 9.5075760185 5.0603427539 H 2.4969974974 1.7231279097 10.6141416909 O 1.5751838296 1.9962157017 10.7908720305 H 1.6313739537 2.9743021046 10.8390097524 75 i = 100, E = -8672.1564560383 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7400639507 -1.4423255205 1.2672612745 Pt -1.4259093134 1.7349728295 1.2087069206 Pt 0.1200930482 0.0805899133 2.5719281386 Pt 1.4306565000 2.0120440913 3.5917820630 Pt 1.5123874509 -0.4034829430 4.7894297481 Pt -0.4334800122 1.9435839178 5.4050337462 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8204916818 3.9664357686 1.9446696573 Pt -0.5506740492 5.7817276692 1.7827504751 Pt -0.9201853129 3.4447565598 3.2332759788 Pt 1.5701632385 6.0662131205 3.5045745895 Pt 1.8860005560 3.7423344961 5.5485836846 Pt -0.3399273118 5.2034836397 5.0609686307 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.8864471898 8.0424411206 1.8755459151 Pt -0.4922572598 8.9622257931 2.3364586371 Pt -1.7796369095 7.0673373040 3.8298969292 Pt 0.2906180696 11.1041796803 3.3914041420 Pt 1.5173040071 8.0930351171 5.2158849820 Pt -0.8151045788 9.2417834360 4.8717018244 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8725390012 -0.5591325856 1.7371386245 Pt 3.5932659990 1.8106887640 2.0190674307 Pt 3.6478184158 -0.7597264038 3.2711692065 Pt 5.8997876012 1.6333902232 3.3124694634 Pt 5.6861644723 -0.3242126684 4.9454761992 Pt 3.6658751790 1.5069060287 4.9707187399 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8473649548 3.8923902619 1.8993755328 Pt 3.8334480837 5.9474829648 1.9374419211 Pt 3.9315756322 4.0428202703 3.7787356694 Pt 5.9507105322 5.9981880514 3.5952650324 Pt 5.7507692986 3.1552565360 5.4743626606 Pt 3.2298907223 6.0210217635 5.5959750608 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7634993245 8.0488792903 1.9079678122 Pt 4.0301199253 11.0200167276 1.1037417692 Pt 3.7463457105 8.1196408433 3.7104743500 Pt 5.1487469907 10.3168843258 3.3182413909 Pt 5.4677837415 7.3552130177 5.6897247214 Pt 2.6053652718 10.4659077677 4.3575560075 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.0046982114 -0.1767130287 1.5377272020 Pt 8.0676563575 1.7873743879 1.9452526482 Pt 7.5022282258 -1.7754138455 3.6460822704 Pt 11.2967145539 0.6832742614 3.7348893645 Pt 10.1958197223 -1.6209954671 3.7162974777 Pt 8.3986965560 0.7098680987 4.3256091536 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9782580337 4.0275979192 1.1616270146 Pt 7.9689361950 5.7907441382 1.8663368806 Pt 7.8947759424 3.6378252759 3.7052860409 Pt 10.0431188193 5.0734862596 3.3139810630 Pt 10.2161698197 2.8309773355 4.6430328387 Pt 7.2904067634 5.2863262889 5.6700300716 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9890065689 7.7429590461 1.1743943285 Pt 7.8285749048 11.1100648228 1.0740975813 Pt 7.9259199696 7.9479858853 3.3185048524 Pt 9.6554226660 9.6189404847 2.5946270300 Pt 9.3924817136 6.8223119866 5.0929283538 Pt 6.8250355286 9.4970588400 5.0661106116 H 2.5195964012 1.7667819010 10.6736478281 O 1.5898185768 2.0083878468 10.8409901303 H 1.6052573252 2.9756697751 10.8525611063 75 i = 101, E = -8672.1611943474 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7353078328 -1.4126926768 1.2963414447 Pt -1.4152707131 1.7277914377 1.2398687531 Pt 0.0989456452 0.0752877046 2.5965060525 Pt 1.4412720774 1.9979618294 3.6000970242 Pt 1.5350542292 -0.4191931862 4.7838683375 Pt -0.4895301954 1.9957113309 5.3709668493 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8105187372 3.9694661330 1.9437929970 Pt -0.5385966022 5.8002782621 1.7634360101 Pt -0.8913628445 3.4847567633 3.1869232103 Pt 1.5623230885 6.0500966140 3.5068497382 Pt 1.9052181435 3.7705703228 5.5187824134 Pt -0.3494123566 5.2022279957 5.0549243902 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.8961140967 8.0522484843 1.8882531803 Pt -0.4975350182 8.9638741771 2.3368572819 Pt -1.7816047123 7.0477305285 3.8201712019 Pt 0.2578218264 11.1202118290 3.3855663542 Pt 1.5347378340 8.1080568979 5.1774162045 Pt -0.8207135718 9.2318968891 4.8555420389 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8770435959 -0.5514605820 1.7198517242 Pt 3.6238391684 1.8260918690 2.0128413828 Pt 3.6683566087 -0.7567578832 3.2428636967 Pt 5.9260661613 1.6453439659 3.3464747657 Pt 5.6854409462 -0.3385434458 4.9257904041 Pt 3.6662878301 1.5017685308 4.9647651773 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8551511619 3.8882660445 1.9033548162 Pt 3.8306865814 5.9567451443 1.9369533885 Pt 3.9424609972 4.0479429361 3.7621820087 Pt 5.9478172219 6.0046409925 3.5860178295 Pt 5.7174186691 3.1878334780 5.4889842463 Pt 3.2674789159 6.0481472903 5.5524905521 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7597033870 8.0514737962 1.9069863831 Pt 4.0265892413 11.0310590153 1.1143504769 Pt 3.7696658914 8.1472455035 3.6960413411 Pt 5.1851826797 10.3458144063 3.3311909661 Pt 5.5041763147 7.4255176287 5.6709967725 Pt 2.6074227493 10.4814316939 4.3160077394 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.0407365336 -0.2374050153 1.4825356809 Pt 8.0729839970 1.7883192897 1.9462635750 Pt 7.5528276075 -1.7197592469 3.6383916095 Pt 11.2660162854 0.6861398446 3.7257600477 Pt 10.3240889960 -1.7089289649 3.6697805215 Pt 8.4791505542 0.6587647600 4.2501627477 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9853828117 4.0287206157 1.1508920864 Pt 7.9706144161 5.7788841736 1.8645376610 Pt 7.8987096947 3.6275229986 3.7319489679 Pt 10.0453313956 5.0660354704 3.3107431663 Pt 10.2682958960 2.8525218463 4.6317044429 Pt 7.2882934585 5.2979189094 5.6738052303 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0165147478 7.7375952602 1.1710790516 Pt 7.8434172482 11.1037184816 1.0857891015 Pt 7.9199103072 7.9372500763 3.2897158503 Pt 9.7050176238 9.5635677758 2.5920345833 Pt 9.3806676987 6.8379086777 5.0685393593 Pt 6.9074961576 9.5548378325 5.0579719398 H 2.4928070193 1.7390782087 10.6262983190 O 1.5818407641 2.0159311267 10.8472723512 H 1.6177792945 2.9810874220 10.8226968254 75 i = 102, E = -8672.1660331565 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7245553252 -1.4114383379 1.3040881866 Pt -1.4530496404 1.7116792970 1.2576311122 Pt 0.0889357195 0.0919111505 2.5911469353 Pt 1.4490291678 1.9910287841 3.6085250355 Pt 1.5571421824 -0.4681741389 4.7623647488 Pt -0.5653307703 2.0039417621 5.3271774838 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7969785426 3.9547307620 1.9472896081 Pt -0.5165934621 5.8139788824 1.7384381196 Pt -0.8429750080 3.5111743525 3.1447047208 Pt 1.5606884788 6.0430686176 3.4942895299 Pt 1.9032763575 3.7755124694 5.5129345111 Pt -0.3483243083 5.2128138512 5.0407286244 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9102319334 8.0633665350 1.8928574593 Pt -0.4904023096 8.9407675503 2.3561886033 Pt -1.8003006379 7.0382266695 3.8018857642 Pt 0.2018871393 11.1294417393 3.3783650831 Pt 1.5530258888 8.1315423313 5.1291232292 Pt -0.8336877521 9.2210352805 4.8698358606 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8903320352 -0.5391079118 1.7304289285 Pt 3.6635407326 1.8325069663 2.0109752910 Pt 3.6824727553 -0.7471685333 3.2130588675 Pt 5.9571255643 1.6575217487 3.3989942128 Pt 5.6769832741 -0.3669645841 4.9147819201 Pt 3.6834091718 1.4764653764 4.9653456428 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8504202616 3.8742715581 1.9071382765 Pt 3.8263171440 5.9579431540 1.9338010534 Pt 3.9138127644 4.0442751008 3.7424180930 Pt 5.9375089798 5.9944918125 3.5886272154 Pt 5.6872135872 3.2363266627 5.5058445698 Pt 3.2810868471 6.0569965525 5.5238911753 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7581764059 8.0416172804 1.8968446129 Pt 4.0306678966 11.0372332665 1.1135003466 Pt 3.7895472377 8.1795546948 3.6735230622 Pt 5.2247860608 10.3599458306 3.3193385617 Pt 5.5087644020 7.4659626316 5.6474583282 Pt 2.5930765830 10.4946064897 4.2635161611 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.0719303279 -0.3061726979 1.4171855045 Pt 8.0672479840 1.8204054200 1.9252823428 Pt 7.5912562628 -1.7078720005 3.6520401200 Pt 11.2024807490 0.6525290980 3.7029099590 Pt 10.4585954190 -1.8335526557 3.5971203855 Pt 8.6089650069 0.6130778287 4.1425225455 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9922273237 4.0393378522 1.1470786590 Pt 7.9586740746 5.7596042942 1.8600764982 Pt 7.8963076979 3.6227406677 3.7573346535 Pt 10.0174583490 5.0872684374 3.2949946590 Pt 10.3253939592 2.8884332566 4.6057654690 Pt 7.2843433867 5.3167275912 5.6894782800 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0313131660 7.7281628115 1.1287788648 Pt 7.8717362657 11.1080739598 1.1151485079 Pt 7.9009753283 7.9188318181 3.2812199215 Pt 9.7063691687 9.4925208680 2.5460397999 Pt 9.3746912340 6.8623683928 5.0647506586 Pt 6.9704823211 9.5795910513 5.0511338852 H 2.4719357172 1.7300973629 10.6366458131 O 1.5715703588 2.0313001973 10.8403141144 H 1.6439184337 3.0040661990 10.7949127365 75 i = 103, E = -8672.1708385156 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7299812227 -1.4103951159 1.2939324891 Pt -1.4656798762 1.7186607448 1.2657850546 Pt 0.1184144923 0.1154309535 2.5733070189 Pt 1.4436604252 2.0146652853 3.6263358036 Pt 1.5640692023 -0.4820009552 4.7427254971 Pt -0.6363735872 1.9615599358 5.3132648388 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7882153040 3.9440631265 1.9486286449 Pt -0.4914635622 5.8218105146 1.7384398986 Pt -0.7924664255 3.5339684637 3.1326508914 Pt 1.5895564649 6.0491904661 3.4753374288 Pt 1.8973239238 3.7730215576 5.5306243095 Pt -0.3214975077 5.2385435316 5.0192902075 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9248471705 8.0766668505 1.8882454855 Pt -0.4692809043 8.9171993423 2.3696615409 Pt -1.8288102560 7.0378675869 3.7989322013 Pt 0.1376296960 11.1496615341 3.3687102859 Pt 1.5721443747 8.1422477032 5.1089679168 Pt -0.8236114688 9.2089052014 4.8837391782 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9023871578 -0.5350036875 1.7422524769 Pt 3.6658972178 1.8264935504 2.0153577480 Pt 3.6820263727 -0.7329362686 3.1958775123 Pt 5.9568005447 1.6418863094 3.4375425046 Pt 5.6796498046 -0.4299196131 4.9065448935 Pt 3.6904507756 1.4515446962 4.9699314844 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8474796043 3.8564665444 1.9238553215 Pt 3.8383546754 5.9542183977 1.9227578985 Pt 3.8759273681 4.0309506695 3.7304155542 Pt 5.9315066275 5.9926797844 3.6009117745 Pt 5.6596859181 3.2771069400 5.4999337659 Pt 3.2974128026 6.0489814314 5.5160707422 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7697277743 8.0347540283 1.8951742863 Pt 4.0321572237 11.0315018459 1.1093535968 Pt 3.8014625568 8.1930572276 3.6635208531 Pt 5.2344569829 10.3693124226 3.3254468454 Pt 5.4960572310 7.4988278642 5.6436480267 Pt 2.5621129422 10.5017170076 4.2381529408 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.1106833682 -0.3513120208 1.3563742064 Pt 8.0433341438 1.8543908870 1.8986209056 Pt 7.6120988548 -1.7350838337 3.6517368909 Pt 11.1924189223 0.6097807514 3.6652469323 Pt 10.5342033557 -1.8672024732 3.5419679401 Pt 8.6499901236 0.6298156424 4.0738679331 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9984887244 4.0517845413 1.1494702344 Pt 7.9484455254 5.7515167153 1.8677770607 Pt 7.9019601592 3.6209886132 3.7947584138 Pt 9.9995650854 5.0877244181 3.2964107143 Pt 10.3686223135 2.8847743436 4.5782925338 Pt 7.2635603150 5.3338917215 5.7120227664 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0507089508 7.7292034692 1.0966513391 Pt 7.8973059414 11.1121859857 1.1129968393 Pt 7.8975537685 7.9102015438 3.2945631290 Pt 9.6962987838 9.4599317185 2.5901450195 Pt 9.3684463675 6.8620781773 5.0762601954 Pt 7.0024136423 9.5859496368 5.0465995983 H 2.4769566222 1.7138527647 10.6655703540 O 1.5785061229 2.0370838700 10.8448717414 H 1.6636066596 3.0137763286 10.7913852914 75 i = 104, E = -8672.1763603575 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7448862662 -1.4132189111 1.2738530173 Pt -1.4726704817 1.7296790466 1.2641057663 Pt 0.1807111453 0.1581614510 2.5476992864 Pt 1.4516683949 2.0397503680 3.6636303911 Pt 1.5502824870 -0.5004359115 4.7106617137 Pt -0.7227462210 1.9106211769 5.2740313595 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7912672435 3.9345891899 1.9401198067 Pt -0.4800456249 5.8325509270 1.7487667780 Pt -0.7344855883 3.5424785205 3.1222261670 Pt 1.6347895017 6.0733774054 3.4653605874 Pt 1.8832722589 3.7759810103 5.5853686484 Pt -0.2911086077 5.2584674394 5.0062418757 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9391961477 8.0808527166 1.8808586461 Pt -0.4475202659 8.8916416420 2.3628666222 Pt -1.8583210872 7.0328070530 3.7955153469 Pt 0.0326477570 11.1650888597 3.3567938740 Pt 1.5687108728 8.1445548597 5.1085525280 Pt -0.8222487396 9.1746111686 4.8866393514 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9197084197 -0.5345535999 1.7688107653 Pt 3.6693043857 1.8258242738 2.0199137836 Pt 3.6572475376 -0.7069478855 3.1687517829 Pt 5.9690469985 1.6230584901 3.4766093837 Pt 5.6447657323 -0.5262719227 4.8880409585 Pt 3.6997674548 1.4352706670 4.9881082486 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8347508694 3.8467593029 1.9464031100 Pt 3.8521038819 5.9475333251 1.9201467181 Pt 3.8205389776 4.0203661721 3.7253947066 Pt 5.9147652144 6.0025053675 3.6290268747 Pt 5.6191731237 3.3276219168 5.4986357280 Pt 3.3000743928 6.0398965800 5.5332234684 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7761057443 8.0339920906 1.8962015654 Pt 4.0342525537 11.0131262921 1.1215861717 Pt 3.8101558630 8.2344280251 3.6680622927 Pt 5.2613538287 10.4034235957 3.3506836791 Pt 5.4586893077 7.5253791836 5.6398867325 Pt 2.5168262468 10.5332825452 4.1869692281 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.1446026381 -0.4178625924 1.2815749355 Pt 7.9964315346 1.9096389062 1.8774273465 Pt 7.6582120386 -1.7538756627 3.6590265201 Pt 11.1899036272 0.5608868764 3.6036886352 Pt 10.6615709618 -1.9398683478 3.4702674446 Pt 8.6586506527 0.6309174133 4.0128755871 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9961354765 4.0550956844 1.1750403758 Pt 7.9299418608 5.7367969185 1.8725030460 Pt 7.9018626097 3.6040529030 3.8551843620 Pt 9.9648448200 5.0727876012 3.3210241730 Pt 10.4112479938 2.8635922734 4.5583824667 Pt 7.2200470345 5.3654277042 5.7422739556 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0579247134 7.7411497712 1.0770471531 Pt 7.9087227402 11.1225496842 1.1182913177 Pt 7.8834859183 7.8871886264 3.3181679929 Pt 9.6822673485 9.4117135445 2.5822321113 Pt 9.3474457012 6.8477161651 5.1136429564 Pt 7.0363400854 9.5666234103 5.0478160013 H 2.4896297203 1.7150710995 10.6878665453 O 1.5932967577 2.0500839584 10.8518481699 H 1.6867449010 3.0212299775 10.8019783885 75 i = 105, E = -8672.1816106319 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7621083907 -1.4197081154 1.2344809621 Pt -1.4556767347 1.7331681726 1.2712669598 Pt 0.2659245236 0.1914865619 2.5256823880 Pt 1.4830342379 2.0839323683 3.7153885748 Pt 1.4914948349 -0.4860127157 4.6979603188 Pt -0.7254153362 1.8196898351 5.2320818974 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8059962452 3.9319846219 1.9198166563 Pt -0.4681435437 5.8422434706 1.7725377321 Pt -0.7056057000 3.5504480574 3.1575829565 Pt 1.7009513877 6.0892060115 3.4651711590 Pt 1.8812003972 3.7962123099 5.6727907208 Pt -0.2222692225 5.3086175294 5.0028633769 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9492298848 8.0790788995 1.8625627026 Pt -0.4257312342 8.8908832064 2.3373726583 Pt -1.8635085808 7.0278244243 3.7964530146 Pt -0.0427290694 11.1789983763 3.3449560827 Pt 1.5809270871 8.1258567097 5.1375053700 Pt -0.7937201715 9.1382315027 4.8870547982 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9337569693 -0.5376306472 1.7921709221 Pt 3.6643158183 1.8025392444 2.0255919271 Pt 3.6303389611 -0.7124449766 3.1645499780 Pt 5.9654107822 1.5894971847 3.4920052896 Pt 5.6183766620 -0.6137598129 4.8713041475 Pt 3.7248928911 1.4067716031 5.0179410795 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8166456230 3.8373604168 1.9564966308 Pt 3.8723429319 5.9281120762 1.9100214680 Pt 3.7658918035 3.9855625424 3.7298467018 Pt 5.8817372713 5.9833130847 3.6509804591 Pt 5.5997202590 3.3469579138 5.4762491569 Pt 3.3349121982 6.0273629534 5.5650869434 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7775458598 8.0342336465 1.9021231454 Pt 4.0421991487 11.0039047983 1.1330732585 Pt 3.8121955536 8.2615177477 3.6691981171 Pt 5.2823813602 10.4332902188 3.3759878908 Pt 5.4464465816 7.5390998338 5.6563507712 Pt 2.4762379163 10.5231215231 4.1487043528 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.1859682554 -0.4742049623 1.2374722040 Pt 7.9648664283 1.9569637574 1.8694884213 Pt 7.7075220682 -1.7641152585 3.6609732705 Pt 11.2127428772 0.5154604217 3.5312708453 Pt 10.7842276458 -1.9746748431 3.4391071761 Pt 8.6058459216 0.7072790700 3.9791100405 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0070824223 4.0534319064 1.1888899236 Pt 7.9107493868 5.7542486981 1.8842401686 Pt 7.8892939327 3.6016720688 3.8933862961 Pt 9.9535484627 5.0822786418 3.3229148998 Pt 10.4014220705 2.8352706868 4.4967570909 Pt 7.1919731371 5.4065689528 5.7842573077 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0479036653 7.7478696423 1.0740070278 Pt 7.9027791945 11.1265630588 1.1123271195 Pt 7.8656822671 7.8644166280 3.3785274718 Pt 9.6553177318 9.3841466409 2.5963601299 Pt 9.3509952969 6.8067851182 5.1371485354 Pt 7.0173231661 9.5656241299 5.0721298956 H 2.5074474366 1.7085182561 10.7347247496 O 1.5996197417 2.0381578311 10.8624153279 H 1.7064915205 3.0051784902 10.8428022345 75 i = 106, E = -8672.1872622880 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7532595542 -1.4259217477 1.2405789762 Pt -1.4468347694 1.7189479631 1.2805622100 Pt 0.2532609872 0.1824457533 2.5477175309 Pt 1.5356755510 2.0419023596 3.7358281463 Pt 1.4969299706 -0.4951458153 4.7344157596 Pt -0.7336328708 1.8479304046 5.1661036906 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7912701769 3.9254024890 1.9269706970 Pt -0.4836704864 5.8522507617 1.7582025923 Pt -0.6933841973 3.5573878428 3.1391397825 Pt 1.6919847138 6.0848072480 3.4748337013 Pt 1.8962763863 3.8366627109 5.6634416563 Pt -0.2247473908 5.3084991851 5.0164964686 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9524870195 8.0681188581 1.8657527172 Pt -0.4293410409 8.9230608025 2.3211814978 Pt -1.8248555822 7.0318103636 3.7836880954 Pt -0.0193364102 11.1834424957 3.3682306287 Pt 1.5997645687 8.1154021783 5.1531728030 Pt 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5.6396817906 Pt 2.4879628543 10.5127059141 4.1440913683 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2006825774 -0.5324101547 1.2099739241 Pt 7.9726332608 1.9631386027 1.8748869793 Pt 7.7496192276 -1.7111503547 3.6485954312 Pt 11.1653117099 0.5148478252 3.5066274943 Pt 10.8328296838 -2.0072557417 3.4121648727 Pt 8.6293712027 0.7255138985 4.0028289667 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0051793805 4.0401178865 1.1752593902 Pt 7.9115509432 5.7726260661 1.8862880452 Pt 7.8961606369 3.5998785888 3.9036075951 Pt 9.9762157211 5.0850075088 3.3040977016 Pt 10.4230699215 2.8367726659 4.4755236565 Pt 7.2164867912 5.4259515416 5.7823275855 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0506840994 7.7431844937 1.0940379556 Pt 7.8929939680 11.1181568286 1.1135084624 Pt 7.8620651727 7.8810202099 3.3941902446 Pt 9.6768483619 9.3818880256 2.5975408261 Pt 9.3721868006 6.7982639308 5.1273756021 Pt 7.0145489976 9.6205857205 5.0834188360 H 2.4962507446 1.6871848161 10.7154806336 O 1.5886828380 2.0333050427 10.8703831983 H 1.7087211421 2.9978148724 10.8529996605 75 i = 107, E = -8672.1854710900 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7229832758 -1.4366994333 1.2444868060 Pt -1.4455193444 1.7071105853 1.2660530765 Pt 0.2165944618 0.1573525797 2.5779743368 Pt 1.5625637136 2.0229990233 3.7327921092 Pt 1.4928412437 -0.4892782851 4.7772245891 Pt -0.6338694108 1.8394892153 5.1441380422 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7888939159 3.9271418841 1.9353867170 Pt -0.5109528853 5.8304905413 1.7375517701 Pt -0.7337217201 3.5235548491 3.1293992669 Pt 1.6633731098 6.0552049119 3.4786718511 Pt 1.9250967543 3.8552687438 5.6638844612 Pt -0.2368514160 5.2502683399 5.0038609539 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9518598494 8.0517682463 1.8730548300 Pt -0.4354589197 8.9714178325 2.3133808762 Pt -1.7569785516 7.0263471608 3.7936550800 Pt 0.1402463826 11.1651787034 3.3879991355 Pt 1.6303531392 8.0767536176 5.1861455079 Pt -0.7540053612 9.1407914763 4.8531344554 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9124641549 -0.5605009294 1.7553925892 Pt 3.6995585006 1.8009514778 1.9946838386 Pt 3.5635360961 -0.7499634345 3.1411742679 Pt 5.9871169139 1.5882945201 3.4710553185 Pt 5.5669913950 -0.5923274476 4.8428408710 Pt 3.7670798277 1.4208458420 5.0355173239 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8254728836 3.8450097627 1.9367480094 Pt 3.8541011851 5.9250938523 1.9124801544 Pt 3.7969850605 3.9696634269 3.7218304636 Pt 5.8723617331 5.9236602459 3.6302373140 Pt 5.6604091517 3.3233736165 5.4640310153 Pt 3.3939216938 6.0476004493 5.5299801201 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7998144346 8.0314942218 1.9259104822 Pt 4.0385066411 11.0261063673 1.0994695897 Pt 3.8224131655 8.2533422456 3.6834155230 Pt 5.2826280756 10.4352775659 3.3339769942 Pt 5.5513226324 7.5176502748 5.6522267992 Pt 2.5369295843 10.4858461032 4.1956304741 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.1618455677 -0.5065188019 1.2736630607 Pt 7.9864195768 1.9488755373 1.8869752626 Pt 7.7175235852 -1.6639865359 3.6419328833 Pt 11.1369918862 0.5435142011 3.5189822869 Pt 10.7022887326 -1.9478315603 3.4559010475 Pt 8.5516009359 0.7779425965 4.1157474381 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0064735932 4.0255779878 1.1339880141 Pt 7.9159043659 5.8098245568 1.8804408496 Pt 7.8908853845 3.6278710607 3.8685999652 Pt 10.0045468793 5.0876628602 3.2517963475 Pt 10.3762441535 2.8360612394 4.4478129557 Pt 7.2546044761 5.4220223495 5.7720979065 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0384836924 7.7559515246 1.1665320996 Pt 7.8695092911 11.1031793911 1.0991680104 Pt 7.8632657260 7.8957014751 3.4503085363 Pt 9.6295566007 9.4486582864 2.5831654894 Pt 9.4265414522 6.7507308774 5.1145118011 Pt 6.9337183065 9.6636864601 5.1071780527 H 2.4953028495 1.6939493928 10.7436502768 O 1.5783640542 2.0001304004 10.8856064028 H 1.6743094910 2.9659173583 10.9051138321 75 i = 108, E = -8672.1930561889 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7120182455 -1.4437040727 1.2411005298 Pt -1.4636043639 1.7107037169 1.2620331878 Pt 0.2356088952 0.2060010405 2.5674169070 Pt 1.5890504918 2.0458007797 3.7678100155 Pt 1.4885194209 -0.5082396312 4.7647047995 Pt -0.6900915768 1.7996928718 5.0881291645 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7914745147 3.9103987895 1.9311740516 Pt -0.4844298730 5.8304325166 1.7317803631 Pt -0.6844670719 3.5489811346 3.0980189064 Pt 1.6877135988 6.0403566800 3.4583414973 Pt 1.9437049623 3.8841128246 5.6826598247 Pt -0.2074821476 5.2629511433 4.9775061498 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9675851639 8.0601599244 1.8732969410 Pt -0.4178600892 8.9422552143 2.3314339670 Pt -1.7801235143 7.0165877337 3.7984187190 Pt 0.0746386536 11.1842114368 3.3720517854 Pt 1.6564972112 8.0645911624 5.1588811476 Pt -0.7394983881 9.1336299675 4.8676779830 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9131874732 -0.5574402260 1.7642735220 Pt 3.7272721906 1.7966303121 1.9885661086 Pt 3.5389475884 -0.7332670408 3.1185866497 Pt 6.0005710349 1.5841481451 3.5041279735 Pt 5.5603191506 -0.6420915928 4.8067238903 Pt 3.7944069657 1.3900410572 5.0426899874 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8238768926 3.8333510259 1.9435430157 Pt 3.8625221683 5.9356089892 1.9076561909 Pt 3.7707733826 3.9569101486 3.7045734717 Pt 5.8622637389 5.9209161398 3.6366690168 Pt 5.6391639142 3.3548028408 5.4710149126 Pt 3.4521291833 6.0672815315 5.4993679196 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8121571599 8.0368173273 1.9264933686 Pt 4.0393152000 11.0290321718 1.1157193450 Pt 3.8507535852 8.2916114911 3.6805389711 Pt 5.3191290383 10.4732071591 3.3511427745 Pt 5.5944159773 7.5652238902 5.6412055334 Pt 2.5027237060 10.4878902360 4.1530750337 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.1948790931 -0.5870564559 1.1990999459 Pt 7.9841158326 1.9675789695 1.8741843290 Pt 7.8060923379 -1.6211624224 3.6512800410 Pt 11.0928624300 0.5067105866 3.4755187656 Pt 10.8903587370 -2.0675347009 3.3829005545 Pt 8.6242319576 0.7702130158 4.0236642477 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0174431879 4.0439894318 1.1383374400 Pt 7.9052731693 5.8110152023 1.8803252414 Pt 7.8913576123 3.6307684976 3.8915191862 Pt 9.9786290740 5.0941280028 3.2502790096 Pt 10.4186856926 2.8391193341 4.3913726493 Pt 7.2451038700 5.4200939457 5.7860955957 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0660635393 7.7338779521 1.1368844363 Pt 7.8754645771 11.1152149238 1.1032216563 Pt 7.8458487105 7.8754418600 3.4802598187 Pt 9.5806435929 9.3851305152 2.5511971342 Pt 9.4305802414 6.7414110725 5.1264343729 Pt 7.0089478525 9.7186662648 5.1170150752 H 2.4895499877 1.6707252076 10.7525387227 O 1.5864158017 1.9898976737 10.8936292471 H 1.6947032221 2.9502342054 10.8971872706 75 i = 109, E = -8672.1957775372 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.7008537411 -1.4514419651 1.2458509114 Pt -1.4616078204 1.7099806064 1.2589881754 Pt 0.2470523553 0.2167456323 2.5703350209 Pt 1.6090328183 2.0438783873 3.7873225896 Pt 1.4889624960 -0.5021623777 4.7735301238 Pt -0.7566776914 1.7481672940 5.0282478022 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7740899505 3.8955740870 1.9227885895 Pt -0.4693442173 5.8430627896 1.7319853590 Pt -0.6502794177 3.5492530177 3.0796403459 Pt 1.6960108285 6.0551396808 3.4402807465 Pt 1.9394574459 3.9141432193 5.6835423511 Pt -0.1972729328 5.2687741161 4.9818875516 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9808692056 8.0666483975 1.8755272077 Pt -0.3921175990 8.9296267423 2.3231783197 Pt -1.7780834033 7.0244251039 3.7998121470 Pt 0.0481548327 11.1901892800 3.3705758728 Pt 1.6908798561 8.0581934419 5.1604159207 Pt -0.6934754173 9.0965448064 4.8880745732 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9159317099 -0.5470527157 1.7843109344 Pt 3.7412838257 1.7928587290 1.9886179492 Pt 3.5300605857 -0.7301331331 3.1019250193 Pt 6.0051538457 1.5808481483 3.5196624016 Pt 5.5493482608 -0.6979647757 4.7736318999 Pt 3.8114843436 1.3559906398 5.0487116439 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8345860203 3.8223644329 1.9502423275 Pt 3.8712409618 5.9254379344 1.8989882069 Pt 3.7567587261 3.9297406130 3.6891189443 Pt 5.8570874312 5.9081946655 3.6404112101 Pt 5.6005428083 3.3952091743 5.4492025489 Pt 3.5133711480 6.0712109700 5.4548687844 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8285308622 8.0311481123 1.9240472444 Pt 4.0363887485 11.0223178612 1.1222810481 Pt 3.8829101627 8.2901996164 3.6729929977 Pt 5.3260486311 10.4828754746 3.3526005795 Pt 5.6236723946 7.6100345486 5.6127407983 Pt 2.5013945808 10.4770607045 4.1517499389 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2217521925 -0.6320006287 1.1139233689 Pt 7.9760267725 1.9750019759 1.8589060207 Pt 7.8374823624 -1.6205739536 3.6301122402 Pt 11.0937916233 0.4283481362 3.4320444106 Pt 10.9585455234 -2.0885288288 3.3095627371 Pt 8.5938031003 0.8279281503 4.0178313471 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0186271377 4.0459972809 1.1481782604 Pt 7.9122482510 5.8128665070 1.9028831896 Pt 7.9129140261 3.6187273918 3.9142901235 Pt 9.9923682968 5.0989829084 3.2662583119 Pt 10.4701197820 2.8193246531 4.3645984776 Pt 7.2655839744 5.4297276969 5.7934469225 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0460711201 7.7407220469 1.1426865065 Pt 7.8652587188 11.1190227285 1.0996524882 Pt 7.8373933734 7.8735221017 3.5321307487 Pt 9.5666521298 9.3810860187 2.5769089900 Pt 9.4534672229 6.7464880489 5.1406236153 Pt 7.0502544868 9.7654519332 5.1209772880 H 2.4835984580 1.6395702529 10.7806116908 O 1.5783668946 1.9942167999 10.9131204010 H 1.7119406682 2.9653843535 10.9096487895 75 i = 110, E = -8672.2012867899 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6746907403 -1.4649272475 1.2551483558 Pt -1.4601101263 1.7091122960 1.2465755062 Pt 0.2331428031 0.2269302045 2.6024215771 Pt 1.6240095917 2.0431529627 3.7888044611 Pt 1.4888761955 -0.5116067975 4.7795175656 Pt -0.7406859025 1.6518146866 4.9787203274 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7871624816 3.8812119177 1.9052692623 Pt -0.4752620969 5.8426468671 1.7434579943 Pt -0.6706387946 3.5315053313 3.1020950112 Pt 1.7068329844 6.0547862660 3.4260721655 Pt 1.9464481629 3.9200689507 5.7172010966 Pt -0.1868742245 5.2635366735 4.9815903021 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9830182787 8.0745772033 1.8765151773 Pt -0.4036824209 8.9075327242 2.3307109334 Pt -1.7571899987 7.0286771842 3.8153720493 Pt 0.0985530630 11.1682074351 3.3499676302 Pt 1.7209870401 8.0275678364 5.1738877869 Pt -0.6350511388 9.0872045270 4.8978226349 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9099677962 -0.5549548849 1.7956679745 Pt 3.7447811944 1.7744632750 1.9836894652 Pt 3.5334356646 -0.7421226903 3.1197176098 Pt 6.0068134895 1.5871675551 3.5066780221 Pt 5.5670846040 -0.6883432424 4.7747432514 Pt 3.8290572841 1.3184621508 5.0507326587 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8315662505 3.8257233567 1.9355438844 Pt 3.8749388633 5.9209727665 1.8921467152 Pt 3.7544738630 3.8971614396 3.6723883482 Pt 5.8506780983 5.8854108388 3.6451711269 Pt 5.5988997587 3.3906368819 5.4377062321 Pt 3.5726446743 6.0655568989 5.4187504952 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8459324393 8.0276032325 1.9251613893 Pt 4.0240406865 11.0278230462 1.1109508220 Pt 3.9076263069 8.2688899623 3.6750833420 Pt 5.3169077875 10.4686167517 3.3241890146 Pt 5.6871208306 7.6167158956 5.6015782257 Pt 2.5279991409 10.4553479258 4.1720873472 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2021725879 -0.6356407849 1.0899879257 Pt 7.9760349754 1.9677401743 1.8523683161 Pt 7.8428916205 -1.5992577232 3.6382828946 Pt 11.0573024353 0.4180066317 3.4106282051 Pt 10.9489706676 -2.1064269483 3.2771132584 Pt 8.5838787644 0.8469268244 4.0521815121 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0213998233 4.0485278378 1.1474548832 Pt 7.9070627589 5.8284875692 1.9131953106 Pt 7.9094361126 3.6297556767 3.8928356144 Pt 9.9994735655 5.1187829690 3.2576399398 Pt 10.4591212963 2.8363989361 4.3390035292 Pt 7.2913990566 5.4123752113 5.7891218226 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 11.0136894176 7.7524331187 1.1750993183 Pt 7.8569988839 11.1166730199 1.1186181281 Pt 7.8267931656 7.8717930335 3.5885511843 Pt 9.4844883341 9.4042859535 2.5767902542 Pt 9.4797844210 6.7419904576 5.1668571639 Pt 7.0410758594 9.8141118601 5.1221116042 H 2.5001238595 1.6273795766 10.8298269399 O 1.5823616793 1.9851680057 10.9231039300 H 1.6974894700 2.9543587940 10.9251643627 75 i = 111, E = -8672.2059390931 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6285627116 -1.4861329956 1.2971138972 Pt -1.4659560256 1.7048203498 1.2295766029 Pt 0.1874996768 0.2490450528 2.6361656628 Pt 1.6475219293 2.0533366922 3.8005450805 Pt 1.4985936094 -0.5144375573 4.7938814975 Pt -0.6943736284 1.5326702671 4.8818433414 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8064789497 3.8694658471 1.9004231493 Pt -0.4885792389 5.8328182975 1.7545496434 Pt -0.6739535292 3.5095866187 3.1116380138 Pt 1.6939631912 6.0135319376 3.4274319904 Pt 2.0033146361 3.9598173109 5.6698810680 Pt -0.1847520908 5.2183692785 4.9947970315 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 2.0008921038 8.0738556091 1.8916940286 Pt -0.4213915029 8.8649089602 2.3648906538 Pt -1.7314395974 7.0045935784 3.8492075146 Pt 0.1655357502 11.1315708600 3.3356485277 Pt 1.7458585958 7.9715997417 5.1906123909 Pt -0.5824987445 9.0829695249 4.9122933793 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8979261229 -0.5826430412 1.7913986895 Pt 3.7477035805 1.7680473853 1.9638407524 Pt 3.5003098912 -0.7391794617 3.1195266866 Pt 5.9937682605 1.5814774566 3.4740422241 Pt 5.6060341309 -0.7085972956 4.7343270364 Pt 3.8549213908 1.2981475731 5.0515241072 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8407044765 3.8320744477 1.9197774681 Pt 3.8708461494 5.9262705984 1.8948255631 Pt 3.7801323480 3.8907541174 3.6630005189 Pt 5.8471874396 5.8469784603 3.6506234991 Pt 5.6350261210 3.3564593046 5.4201305524 Pt 3.6559450651 6.0612442285 5.3653442744 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8658620390 8.0330420885 1.9394943901 Pt 4.0042774865 11.0353965435 1.0799819852 Pt 3.9182385115 8.2496759210 3.6991923747 Pt 5.2822972844 10.4622331087 3.2909907954 Pt 5.8051224113 7.6405676080 5.5625282057 Pt 2.5472449855 10.4523749751 4.2031470481 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.1638477086 -0.6629305419 1.0504962149 Pt 7.9781510379 1.9500568014 1.8572077050 Pt 7.8667946548 -1.5651703493 3.6328587601 Pt 10.9797394637 0.3807672239 3.3508359906 Pt 10.9653986369 -2.1808876210 3.2158897831 Pt 8.5765384146 0.8511228348 4.0876310546 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0276180620 4.0460662496 1.1323940756 Pt 7.8989450650 5.8479397536 1.9272085144 Pt 7.9238880196 3.6376142090 3.8577453850 Pt 10.0044063483 5.1345103319 3.2308364370 Pt 10.4563326575 2.8203952058 4.2984249384 Pt 7.3235331514 5.3629879669 5.7726803740 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9911177677 7.7658959082 1.2218833975 Pt 7.8474981081 11.1097529750 1.1117801360 Pt 7.7988022002 7.8744761188 3.6756014027 Pt 9.3817067323 9.4255084214 2.5590666378 Pt 9.5123064078 6.7143570683 5.1933459489 Pt 7.0205403860 9.9148832548 5.1177727426 H 2.5189062985 1.6235137583 10.8817817133 O 1.6029969733 1.9493049735 10.9432257323 H 1.6901635201 2.9141528191 10.9376623750 75 i = 112, E = -8672.2082801976 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6390948160 -1.4868250994 1.2886527716 Pt -1.4562230714 1.7197978324 1.2210533223 Pt 0.1934185318 0.2603498447 2.6050649516 Pt 1.6328193316 2.0677723025 3.8035769282 Pt 1.5000092751 -0.4952450018 4.7960862162 Pt -0.7130731984 1.5003066652 4.8967111562 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7964307405 3.8957182474 1.9123288289 Pt -0.4880205862 5.8310009710 1.7509780888 Pt -0.6801050648 3.5164435552 3.1257564572 Pt 1.6804392130 6.0354125115 3.4349322512 Pt 1.9742244265 3.9545787967 5.6904864237 Pt -0.2018013492 5.2404977053 4.9842040712 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9908042726 8.0878969568 1.8886051001 Pt -0.4318714045 8.8749320521 2.3610294034 Pt -1.7587008195 7.0092224660 3.8268665377 Pt 0.1439633676 11.1453345941 3.3434576901 Pt 1.7204912041 8.0159878227 5.1677763501 Pt -0.6240717314 9.0997373520 4.8994667003 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9012610633 -0.5711480619 1.7838078710 Pt 3.7311284239 1.7908067820 1.9640278575 Pt 3.5019240675 -0.7284284612 3.1035007431 Pt 5.9824228345 1.5785113081 3.4729811052 Pt 5.6016955200 -0.7216565475 4.7244304848 Pt 3.8361077130 1.2961298457 5.0437555403 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8352200997 3.8315724468 1.9291050973 Pt 3.8745663731 5.9304382345 1.8974581414 Pt 3.7734089507 3.9186288897 3.6760794522 Pt 5.8612997851 5.8647804179 3.6627272608 Pt 5.6195601962 3.3601066984 5.4349609639 Pt 3.5844568524 6.0757437798 5.4086070228 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8566920122 8.0354237070 1.9344030202 Pt 4.0097690831 11.0385606203 1.0822512601 Pt 3.8985573659 8.2509093887 3.6874062570 Pt 5.2672329324 10.4547618654 3.2962692584 Pt 5.7423913572 7.6270229516 5.5648790712 Pt 2.5457172969 10.4729487488 4.2044017956 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.1605948703 -0.6443218914 1.0394850952 Pt 7.9724016555 1.9558101829 1.8585179329 Pt 7.8594649017 -1.6025860326 3.6224612916 Pt 10.9920095791 0.3811296834 3.3352116073 Pt 10.9594140871 -2.1804941228 3.2001941495 Pt 8.5633636911 0.8305868125 4.0836543239 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0158810461 4.0448654085 1.1419084655 Pt 7.8999639757 5.8333845043 1.9300279074 Pt 7.9193146584 3.6292269517 3.8656139436 Pt 10.0015932193 5.1070618548 3.2560616760 Pt 10.4476374365 2.7876274642 4.3198504662 Pt 7.3174067195 5.3703603133 5.7770582248 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9879335460 7.7614407351 1.2071567467 Pt 7.8438107095 11.1220228115 1.0907700079 Pt 7.8136654299 7.8766651524 3.6397874470 Pt 9.4054782079 9.4202732491 2.5647916605 Pt 9.4957636962 6.7248426147 5.1850692440 Pt 7.0037789807 9.8758174316 5.1047683635 H 2.5259870848 1.6454106650 10.8541608184 O 1.6125441264 1.9683054421 10.9154967675 H 1.7100058469 2.9400423058 10.9147841462 75 i = 113, E = -8672.2099518602 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6378623168 -1.4883697579 1.2760981386 Pt -1.4425630544 1.7371444804 1.2133656719 Pt 0.2137271323 0.2644187874 2.5921817497 Pt 1.6356210554 2.0811988960 3.8231938738 Pt 1.5025878443 -0.4821036425 4.8059293364 Pt -0.7468594236 1.4313759025 4.8567369969 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7765156517 3.9015449923 1.9149807891 Pt -0.4825805893 5.8333268851 1.7513250930 Pt -0.6536301320 3.5232356624 3.1323757862 Pt 1.6888965666 6.0420868300 3.4364145674 Pt 1.9759979231 3.9860387443 5.7014783118 Pt -0.1939506955 5.2591306289 4.9868207091 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9902539178 8.0878043585 1.8945531291 Pt -0.4230503439 8.8750811740 2.3631258019 Pt -1.7604831507 7.0203193883 3.8263725785 Pt 0.1515283982 11.1571509149 3.3472488380 Pt 1.7409443761 8.0228019769 5.1613384023 Pt -0.6015780613 9.0936159761 4.9095817428 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9088095423 -0.5494428882 1.7777102176 Pt 3.7225441328 1.7848182526 1.9635777942 Pt 3.5182401890 -0.7324174588 3.1040019703 Pt 5.9755610651 1.5805195391 3.4816370932 Pt 5.6126052759 -0.7270561296 4.7270427172 Pt 3.8390400840 1.2697316316 5.0548167678 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8398181695 3.8258922131 1.9277358692 Pt 3.8744038837 5.9274336587 1.8895083469 Pt 3.7512722355 3.8980042599 3.6459478011 Pt 5.8505408253 5.8398942738 3.6634660171 Pt 5.6113349395 3.3781010680 5.4316508216 Pt 3.6277635862 6.0906177343 5.4029789500 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8691985497 8.0231941985 1.9300500165 Pt 4.0103691212 11.0491710728 1.0717523118 Pt 3.9108246697 8.2477452714 3.6689497061 Pt 5.2701857441 10.4445077040 3.2731771515 Pt 5.7638314709 7.6586742766 5.5593358483 Pt 2.5660071440 10.4695764090 4.2077892144 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.1966050276 -0.6821119906 0.9663033477 Pt 7.9744816413 1.9558257755 1.8577691305 Pt 7.8922598592 -1.6032166028 3.5950052139 Pt 10.9931142598 0.3278777557 3.2803759630 Pt 11.0369472832 -2.2177094385 3.1191892970 Pt 8.5908235124 0.8236734478 4.0409369342 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0148279727 4.0459703406 1.1552738517 Pt 7.9096847549 5.8397386403 1.9389288921 Pt 7.9342115364 3.6228128935 3.8660103992 Pt 10.0176807554 5.0967613244 3.2757973139 Pt 10.4908203505 2.7549813297 4.2920946970 Pt 7.3433995234 5.3674713673 5.7782854039 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9822826583 7.7579064733 1.2063333824 Pt 7.8394225906 11.1365046228 1.0674826372 Pt 7.8070082938 7.8614580525 3.6710255855 Pt 9.3770155652 9.3978419570 2.5610026438 Pt 9.5072379582 6.7480452184 5.1934648375 Pt 6.9963687849 9.9166167883 5.1005590724 H 2.5314638785 1.6237224036 10.8806335691 O 1.6107780601 1.9697689594 10.9044663307 H 1.7351150155 2.9470223759 10.9203183424 75 i = 114, E = -8672.2130836551 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6376807108 -1.4852436402 1.2829937134 Pt -1.4315551106 1.7498631885 1.2060436689 Pt 0.2096029850 0.2538997564 2.5889515606 Pt 1.6059686972 2.0979054823 3.8155693266 Pt 1.5082112001 -0.4642888789 4.8025259427 Pt -0.7368631876 1.3866449582 4.8494605413 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7706614791 3.9191825728 1.9192508035 Pt -0.4829078163 5.8257185165 1.7497659617 Pt -0.6699219441 3.5162344833 3.1572864045 Pt 1.6707875062 6.0576806236 3.4545619569 Pt 1.9676006558 3.9997076567 5.6614016005 Pt -0.2187327046 5.2694513201 5.0035357972 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9640205883 8.0862781475 1.8977181778 Pt -0.4470611595 8.8930797167 2.3531442458 Pt -1.7762233803 7.0215980651 3.8060124335 Pt 0.1572904236 11.1600858596 3.3558430421 Pt 1.6824377094 8.0543196043 5.1653612347 Pt -0.6647264947 9.1153254160 4.9019479949 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9159126144 -0.5531682093 1.7691544977 Pt 3.7083388361 1.8050048599 1.9665064479 Pt 3.5334751987 -0.7152365673 3.0940794619 Pt 5.9709745188 1.5728709245 3.4658809051 Pt 5.6292195884 -0.7395205378 4.7145570631 Pt 3.8230541748 1.2687368464 5.0342046982 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8362156693 3.8235339128 1.9278340835 Pt 3.8625394617 5.9408239424 1.9039265183 Pt 3.7646980609 3.9302509452 3.6700328337 Pt 5.8598374726 5.8354557972 3.6580356820 Pt 5.6068101400 3.3578496394 5.4210306774 Pt 3.5768274147 6.1138296517 5.4375661512 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8392360549 8.0245797219 1.9346521744 Pt 4.0025970132 11.0477266387 1.0558803796 Pt 3.8682302216 8.2564687513 3.6695068724 Pt 5.2353062395 10.4491090033 3.2758670414 Pt 5.7191626501 7.6385029232 5.5380636228 Pt 2.5605657490 10.4944053260 4.2378955449 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2061670684 -0.6929868617 0.9285674091 Pt 7.9820415206 1.9418286828 1.8507210986 Pt 7.9070408969 -1.6527399383 3.5763974043 Pt 10.9932904104 0.2986616252 3.2529178843 Pt 11.0534016014 -2.2374459996 3.0598477424 Pt 8.5877912796 0.7778003637 4.0288707611 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0122429840 4.0494725060 1.1667890233 Pt 7.9209601311 5.8206751032 1.9414786485 Pt 7.9338593707 3.5967906990 3.8568225159 Pt 10.0201808781 5.0672280022 3.3010176454 Pt 10.4929663617 2.7163308073 4.3106846422 Pt 7.3590162776 5.3380198805 5.7620290601 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9809464524 7.7491167315 1.1888317961 Pt 7.8426627019 11.1304635504 1.0453673227 Pt 7.7898557673 7.8591402341 3.6480813969 Pt 9.3840749187 9.3886408668 2.5512076071 Pt 9.4979992681 6.7714125432 5.1734737320 Pt 6.9547314189 9.8960419402 5.0861300542 H 2.5574776429 1.6344948388 10.8380685187 O 1.6400180581 1.9719634248 10.8761406263 H 1.7430391509 2.9426017725 10.9158957152 75 i = 115, E = -8672.2155670107 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6360994070 -1.4846751111 1.2962732414 Pt -1.4125707431 1.7632096081 1.1899229923 Pt 0.2166270321 0.2617069353 2.5878046571 Pt 1.6105209823 2.1152230396 3.8333135723 Pt 1.5298828812 -0.4498807766 4.8142485167 Pt -0.7369108592 1.2967636250 4.7958377916 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7714925432 3.9240909515 1.9235740474 Pt -0.4797241933 5.8157100364 1.7482825544 Pt -0.6696401685 3.4988706576 3.1706972891 Pt 1.6667666171 6.0694531965 3.4643662186 Pt 1.9614205097 4.0204502264 5.6811200712 Pt -0.2405872952 5.2782071188 4.9920852977 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9339415211 8.0904831912 1.8899323926 Pt -0.4844676632 8.9533604447 2.3302732954 Pt -1.7619606182 7.0223862046 3.7754676441 Pt 0.2132133582 11.1649255456 3.3653718280 Pt 1.6491826496 8.0875432232 5.1765278982 Pt -0.7140281048 9.1427389740 4.8786805129 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9174428652 -0.5671145099 1.7594466385 Pt 3.7089921489 1.8182915417 1.9624843524 Pt 3.5193742183 -0.7034130661 3.0659737870 Pt 5.9731661390 1.5599341946 3.4565940947 Pt 5.6410488964 -0.7809636985 4.6781634659 Pt 3.8184085015 1.2596356219 5.0280777936 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8281611721 3.8163048568 1.9262536132 Pt 3.8557067764 5.9519601365 1.9129625280 Pt 3.7599309698 3.9527187859 3.6841589466 Pt 5.8604817704 5.8156462983 3.6692137064 Pt 5.6007310738 3.3470783276 5.4043849747 Pt 3.5502601916 6.1500031554 5.4589912007 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8156698405 8.0204474480 1.9357108141 Pt 3.9983062668 11.0455968662 1.0333195835 Pt 3.8291092318 8.2653926892 3.6660713653 Pt 5.1993341059 10.4646626167 3.2667040989 Pt 5.6982680701 7.6216447468 5.5190946911 Pt 2.5718548213 10.5248231496 4.2751318992 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2187855984 -0.7395033052 0.8552260554 Pt 7.9762113078 1.9367033882 1.8428853638 Pt 7.9396202640 -1.6890131197 3.5630762663 Pt 10.9663962400 0.2595722538 3.1735099375 Pt 11.1096245766 -2.2887220678 2.9396179755 Pt 8.5760585926 0.7493843077 4.0135286840 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0035596771 4.0555429370 1.1825923483 Pt 7.9255682085 5.8061406085 1.9482976376 Pt 7.9260501596 3.5758149207 3.8598017686 Pt 10.0138366667 5.0573409422 3.3242131962 Pt 10.4881945387 2.6626548147 4.3031294827 Pt 7.3870610104 5.3120236290 5.7463145823 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9783714919 7.7571382805 1.1924832894 Pt 7.8394003001 11.1152948508 1.0230615598 Pt 7.7453186897 7.8521707489 3.6614004456 Pt 9.3348997363 9.3814301877 2.5423081757 Pt 9.5046211896 6.7903802557 5.1691876332 Pt 6.9042284173 9.9007937017 5.0789836216 H 2.5965436990 1.6424175535 10.8178991762 O 1.6763884732 1.9532200455 10.8387124718 H 1.7677285293 2.9231011551 10.9298855867 75 i = 116, E = -8672.2170833754 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6517071432 -1.4858436540 1.2866520479 Pt -1.3887173631 1.7795264177 1.1828823502 Pt 0.2447108606 0.2610351836 2.5512218882 Pt 1.5957391724 2.1227616636 3.8418221210 Pt 1.5735727856 -0.4178078218 4.8141836036 Pt -0.7329783658 1.3101585732 4.8115515236 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7709912241 3.9294056108 1.9331454165 Pt -0.4685291168 5.8061144793 1.7592173444 Pt -0.6779302891 3.4917309745 3.1898096198 Pt 1.6625144737 6.0727079473 3.4860865659 Pt 1.9519874984 4.0322629755 5.6644197965 Pt -0.2582150763 5.2924034138 5.0066445307 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.8939201088 8.0808008188 1.8824803157 Pt -0.5236247467 9.0345479858 2.2998949066 Pt -1.7471765967 7.0372294649 3.7531821705 Pt 0.2895177223 11.1789253149 3.3863412129 Pt 1.6218620839 8.1261682970 5.1893482816 Pt -0.7583209624 9.1827497811 4.8569350903 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9135901583 -0.5721451497 1.7370347300 Pt 3.7030562327 1.8198734636 1.9726970641 Pt 3.5507230204 -0.7087313075 3.0762307623 Pt 5.9750578229 1.5537244744 3.4380751349 Pt 5.6932877959 -0.7461460059 4.6927481102 Pt 3.8108923714 1.2692423413 5.0214162469 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8317492597 3.8185265248 1.9212071545 Pt 3.8494315057 5.9567766745 1.9178377885 Pt 3.7644199239 3.9667742347 3.6887584754 Pt 5.8602399939 5.8047894736 3.6736893268 Pt 5.6269840585 3.3180516614 5.3888201712 Pt 3.5279045345 6.1747524337 5.4655636955 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7956556390 8.0030872525 1.9208957866 Pt 4.0055304033 11.0518608525 0.9947867202 Pt 3.7877806700 8.2489956949 3.6547278391 Pt 5.1576110762 10.4446970502 3.2227775997 Pt 5.6776768174 7.6202974264 5.5315104388 Pt 2.6150092430 10.5488589771 4.3237093953 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2335710254 -0.7778606179 0.8046461938 Pt 7.9870757479 1.9085573858 1.8470700704 Pt 7.9380800239 -1.7317650142 3.5403408058 Pt 10.9964986375 0.2405296480 3.1299775094 Pt 11.1384853345 -2.3038422319 2.8328268349 Pt 8.6046678748 0.6902132660 3.9608002260 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0011610065 4.0604159358 1.2002980342 Pt 7.9378829554 5.7995573661 1.9495290437 Pt 7.9317491382 3.5567111332 3.8416222708 Pt 10.0174933128 5.0545848907 3.3494802944 Pt 10.4896058392 2.6256854980 4.3048188616 Pt 7.4038298392 5.2871061191 5.7210502318 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9830457637 7.7604561255 1.1781436475 Pt 7.8341090150 11.1115052228 0.9967710285 Pt 7.7185490232 7.8560343856 3.6526208247 Pt 9.3241758063 9.3783392096 2.5394150190 Pt 9.5047192627 6.8230561025 5.1566409186 Pt 6.8425782222 9.9076818196 5.0616673839 H 2.6306704067 1.6325882691 10.7961567613 O 1.7029937379 1.9364102959 10.7843601379 H 1.7937242767 2.9057274703 10.9304668009 75 i = 117, E = -8672.2193494337 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6538236910 -1.4856126869 1.2698857815 Pt -1.3876651623 1.7935083131 1.1828222052 Pt 0.2593731852 0.2754365479 2.5561997466 Pt 1.5991601614 2.1301515078 3.8415597174 Pt 1.5814760518 -0.4306550143 4.7954316470 Pt -0.7418747544 1.3133453133 4.7952196444 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7800766807 3.9305350107 1.9277876299 Pt -0.4567575238 5.8074540222 1.7657013539 Pt -0.6954891218 3.5093768042 3.2000648289 Pt 1.6858942752 6.0836016440 3.4817163948 Pt 1.9483061217 4.0335171544 5.6761732708 Pt -0.2324854224 5.3164618463 5.0009794759 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.8800412001 8.0800816410 1.8817954589 Pt -0.5331210324 9.0337208565 2.2828707799 Pt -1.7795513811 7.0445091712 3.7505505936 Pt 0.2663618176 11.1892546760 3.3791514714 Pt 1.6234604705 8.1396998528 5.1802489426 Pt -0.7583720850 9.1795659394 4.8424279203 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9142886691 -0.5869458658 1.7291431772 Pt 3.7156871346 1.8187911295 1.9782357351 Pt 3.5655577971 -0.7068111459 3.0632017362 Pt 5.9912184657 1.5392721552 3.4374492747 Pt 5.7101255484 -0.7594781636 4.6862448276 Pt 3.8332796020 1.2447509774 5.0110932993 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8277723990 3.8240075005 1.9309846343 Pt 3.8592950636 5.9495628807 1.9113320145 Pt 3.7596926573 3.9574484466 3.7013335079 Pt 5.8496116209 5.8218083363 3.6802644829 Pt 5.6284245045 3.2954002124 5.3965056433 Pt 3.5225525685 6.1770296642 5.4570756857 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.7914564261 8.0027251926 1.9134024494 Pt 4.0047260990 11.0567451408 0.9710373535 Pt 3.7874667676 8.2609356020 3.6405388558 Pt 5.1589667945 10.4492552195 3.2079592779 Pt 5.6732292175 7.6450929911 5.5506039186 Pt 2.6155408295 10.5541464181 4.3128430057 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2217226443 -0.8038167771 0.7936380093 Pt 7.9783408101 1.9312459170 1.8250255878 Pt 7.9521270496 -1.7383797194 3.5266142466 Pt 11.0034135877 0.2661523713 3.1083056779 Pt 11.1922631196 -2.3017189329 2.8171981339 Pt 8.6141085747 0.6814271112 3.9540711258 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 11.0052289173 4.0700511578 1.2043214479 Pt 7.9227081132 5.7995650381 1.9437776106 Pt 7.9207271244 3.5490039328 3.8502605674 Pt 10.0019408372 5.0504800174 3.3483419266 Pt 10.4644419606 2.6481025500 4.2995166805 Pt 7.3537772295 5.2935278552 5.7409700291 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9705726047 7.7617077497 1.1681243752 Pt 7.8331295064 11.1106831168 0.9913651564 Pt 7.7251602223 7.8567318783 3.6402489114 Pt 9.3349953282 9.3953370179 2.5492373535 Pt 9.4770525706 6.8027085998 5.1534015927 Pt 6.8338472449 9.9186994092 5.0509550180 H 2.6444266883 1.6450757238 10.7627660388 O 1.7227482970 1.9497644039 10.7791500056 H 1.7817217680 2.9039394121 10.8994210203 75 i = 118, E = -8672.2208443735 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6624033840 -1.4645480883 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5.9125198411 -0.6011660998 1.7387307554 Pt 3.7271245569 1.8177061603 1.9711198389 Pt 3.5616907845 -0.7056671928 3.0565221824 Pt 5.9921570711 1.5364698523 3.4357637194 Pt 5.6915364417 -0.7511567723 4.6737033018 Pt 3.8564759251 1.2462149673 5.0209236411 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8349794083 3.8230515491 1.9436402341 Pt 3.8590127628 5.9343001484 1.9024914355 Pt 3.7589403257 3.9396727092 3.7036709209 Pt 5.8466775327 5.8385896725 3.6656449003 Pt 5.6284807762 3.3131853086 5.3970649805 Pt 3.5320729654 6.1633456808 5.4438854018 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8056189822 8.0024598790 1.9131245754 Pt 3.9978617797 11.0516568691 0.9827203815 Pt 3.8028094619 8.2478511870 3.6324207075 Pt 5.1807032926 10.4346703253 3.2007894713 Pt 5.6785974576 7.6341524458 5.5465469522 Pt 2.6399357545 10.5228894439 4.3117254024 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2151928311 -0.8037048620 0.8140757577 Pt 7.9792150149 1.9385862331 1.8252776446 Pt 7.9419187845 -1.7363915514 3.5391551194 Pt 11.0201982537 0.2783474787 3.1280224928 Pt 11.1819178395 -2.2673207064 2.8336812940 Pt 8.6158154823 0.7073770679 3.9414486514 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9991724239 4.0683353567 1.1995764512 Pt 7.9180430234 5.8135713869 1.9412451967 Pt 7.9386082798 3.5621925332 3.8587500417 Pt 10.0088753499 5.0703705699 3.3388849226 Pt 10.4629752251 2.6788005674 4.2765709075 Pt 7.3473894886 5.3257246904 5.7492442638 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9594813240 7.7634320291 1.1826554795 Pt 7.8278385973 11.1104247767 1.0020521678 Pt 7.7404061232 7.8629870296 3.6385513683 Pt 9.3507676015 9.4169161643 2.5642617426 Pt 9.4810803423 6.8040661995 5.1531552562 Pt 6.8437790259 9.9108262487 5.0771718256 H 2.6358463560 1.6391925642 10.7689560453 O 1.7089225513 1.9427933003 10.7754128766 H 1.7812951708 2.9036717895 10.8951564182 75 i = 119, E = -8672.2224239727 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6698994224 -1.4541526588 1.2641614869 Pt -1.3840915156 1.8042173614 1.1757418203 Pt 0.2817847225 0.2862722527 2.5847038605 Pt 1.6253515685 2.1444590887 3.8569646412 Pt 1.6083579300 -0.4038903277 4.8171675922 Pt -0.7540475607 1.3583168315 4.7837325579 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7854554840 3.9271007526 1.9224775590 Pt -0.4572686013 5.8172763035 1.7687136599 Pt -0.6777554607 3.5172754713 3.1725424980 Pt 1.6789994221 6.0815453778 3.4681143365 Pt 1.9417859039 4.0541013564 5.6893339484 Pt -0.2505925493 5.3303141185 4.9760045330 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.8677198031 8.0864655782 1.8830559923 Pt -0.5203758526 9.0733730671 2.2568441745 Pt -1.7833839887 7.0672362880 3.7231325992 Pt 0.3279044823 11.1955934721 3.4023046090 Pt 1.6280421071 8.1315495296 5.1616208421 Pt -0.7203166898 9.1746338073 4.8320679795 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9119410257 -0.6094928708 1.7375776276 Pt 3.7248517578 1.8271608656 1.9687858911 Pt 3.5647197999 -0.7092652957 3.0524870178 Pt 5.9959364815 1.5308126212 3.4288379911 Pt 5.7034109354 -0.7726287150 4.6536003519 Pt 3.8658561665 1.2363786620 5.0199232001 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8358815055 3.8234427621 1.9488758978 Pt 3.8542754536 5.9316552655 1.9015554601 Pt 3.7630375875 3.9463652062 3.7091086413 Pt 5.8444102363 5.8439719419 3.6675264502 Pt 5.6323916588 3.3023897663 5.3929868154 Pt 3.5256762645 6.1739412218 5.4522946439 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8031057497 8.0019236994 1.9140737363 Pt 3.9968991864 11.0490574632 0.9838554491 Pt 3.7934683604 8.2379478359 3.6235571400 Pt 5.1747906143 10.4251036478 3.1908406679 Pt 5.6675251702 7.6383554380 5.5405778036 Pt 2.6607030413 10.5287618053 4.3354683909 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2249588392 -0.8343658712 0.7706839198 Pt 7.9794225739 1.9399412952 1.8224364446 Pt 7.9608058246 -1.7604648164 3.5293217468 Pt 11.0349468753 0.2532177527 3.0874131364 Pt 11.2444267883 -2.2815736121 2.7561733895 Pt 8.6313406036 0.6768177006 3.9082351361 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9926711676 4.0720185747 1.2128192836 Pt 7.9176017529 5.8147514851 1.9460828106 Pt 7.9456409644 3.5531983903 3.8696928681 Pt 10.0051961289 5.0741912545 3.3522851766 Pt 10.4601319042 2.6591540546 4.2533640322 Pt 7.3473086953 5.3264713549 5.7400114588 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9514158840 7.7668451130 1.1889647825 Pt 7.8210515228 11.1122810742 0.9832567662 Pt 7.7321356540 7.8724024060 3.6399475247 Pt 9.3386043852 9.4265509102 2.5827713932 Pt 9.4787909659 6.8175946070 5.1606379286 Pt 6.8189310398 9.9186028575 5.0811420449 H 2.6580321090 1.6302725147 10.7547997718 O 1.7282827594 1.9352724623 10.7421993488 H 1.8048374889 2.8995275529 10.8874581493 75 i = 120, E = -8672.2240431470 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6718703795 -1.4481717741 1.2699759587 Pt -1.3691248403 1.8152860402 1.1548552610 Pt 0.2872411041 0.2919991816 2.5790905190 Pt 1.6349002546 2.1472947633 3.8663914169 Pt 1.6331433711 -0.3954782609 4.8180179465 Pt -0.7596531172 1.3906171992 4.7860375592 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7946288219 3.9260280330 1.9275572813 Pt -0.4557218115 5.8133751458 1.7827906221 Pt -0.6749389766 3.5178058766 3.1695723254 Pt 1.6819173984 6.0753163431 3.4721487527 Pt 1.9380616045 4.0692139988 5.6683172007 Pt -0.2644798508 5.3419691780 4.9724266505 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.8713151784 8.0842017204 1.8810365199 Pt -0.5259418894 9.0748405950 2.2476124227 Pt -1.7992968267 7.0754794997 3.7296906347 Pt 0.3574757888 11.1799727629 3.4026399305 Pt 1.6374334367 8.1187282430 5.1634896999 Pt -0.7017285548 9.1631475428 4.8296543435 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9105207249 -0.6232358159 1.7209897260 Pt 3.7202061863 1.8284294618 1.9693888117 Pt 3.5747607651 -0.7227112435 3.0466738647 Pt 6.0035018288 1.5180721928 3.4146670923 Pt 5.7221880546 -0.7948327649 4.6363881884 Pt 3.8779058347 1.2184416272 5.0120389091 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8442774369 3.8281868280 1.9489179794 Pt 3.8509893846 5.9251757687 1.8980194065 Pt 3.7916540884 3.9469179772 3.7088438055 Pt 5.8382191986 5.8656587298 3.6653025735 Pt 5.6537688709 3.2507471605 5.4036140793 Pt 3.5382611169 6.1707920984 5.4489278616 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8084870757 8.0069575569 1.9087585195 Pt 3.9952286937 11.0420532602 0.9790985974 Pt 3.7915384485 8.2164581138 3.6147250776 Pt 5.1696932316 10.4042927825 3.1733851299 Pt 5.6686507813 7.6498398805 5.5562180654 Pt 2.6860806765 10.5339835792 4.3484858528 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2169778418 -0.8497656601 0.7515166376 Pt 7.9827647766 1.9431989999 1.8249224122 Pt 7.9652092866 -1.7862735215 3.5088555226 Pt 11.0636355000 0.2602928548 3.0538713031 Pt 11.2856957004 -2.2480395850 2.7012942123 Pt 8.6496457282 0.6424673390 3.8805047467 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9869971124 4.0768152380 1.2307967649 Pt 7.9173616393 5.8210483367 1.9488042482 Pt 7.9456056022 3.5426089007 3.8866544512 Pt 9.9873670947 5.0944627901 3.3607540674 Pt 10.4517042463 2.6567391165 4.2348138506 Pt 7.3025960960 5.3157148498 5.7284681612 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9368035665 7.7755710892 1.2020135541 Pt 7.8185968984 11.1099076786 0.9589134395 Pt 7.7390237944 7.8954479234 3.6289227293 Pt 9.3651288246 9.4766599548 2.6199741717 Pt 9.4508897647 6.8170942841 5.1789565822 Pt 6.7932538013 9.9314541077 5.0880800787 H 2.6800612100 1.6352134866 10.7386361552 O 1.7551399503 1.9309748835 10.7330144171 H 1.8121979883 2.8915042213 10.8524354561 75 i = 121, E = -8672.2256327402 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6716586136 -1.4428540790 1.2727971067 Pt -1.3542869052 1.8243008208 1.1425203996 Pt 0.2997318815 0.3038358414 2.5855341394 Pt 1.6441192215 2.1503340217 3.8780610653 Pt 1.6477642148 -0.4058078881 4.8177349354 Pt -0.7635190467 1.4029401054 4.7830582826 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8009897701 3.9271338947 1.9324623855 Pt -0.4678648226 5.8089353309 1.7793563530 Pt -0.6743982661 3.5150020453 3.1606255653 Pt 1.6756272572 6.0753974354 3.4655867895 Pt 1.9232101094 4.0757935462 5.6650914188 Pt -0.2824098640 5.3466711004 4.9674012429 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.8699173476 8.0825854983 1.8773297212 Pt -0.5339347173 9.0663224668 2.2369764125 Pt -1.8252626695 7.0816788841 3.7323089305 Pt 0.3731869529 11.1654716782 3.4048980438 Pt 1.6294894780 8.0945895429 5.1707478194 Pt -0.6889128792 9.1484242190 4.8294886411 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9102668319 -0.6483139201 1.7078931629 Pt 3.7182549169 1.8278457601 1.9741338804 Pt 3.5815756922 -0.7372221106 3.0479998080 Pt 6.0182569012 1.4943263369 3.3963979070 Pt 5.7395555941 -0.8147886970 4.6268465791 Pt 3.8950213387 1.1842501605 4.9955925675 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8487628331 3.8296773459 1.9478753341 Pt 3.8454173375 5.9215391342 1.8944345068 Pt 3.8184613706 3.9476725884 3.7200200518 Pt 5.8306450366 5.8832665241 3.6473433197 Pt 5.6652900741 3.1955480254 5.4076669128 Pt 3.5252104945 6.1586559518 5.4556618939 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8090057556 8.0122226125 1.9041939143 Pt 3.9872314381 11.0300592658 0.9695934966 Pt 3.7770332584 8.1978643808 3.6111683230 Pt 5.1526943044 10.3778916711 3.1524473415 Pt 5.6575142936 7.6253418841 5.5655049393 Pt 2.6957730586 10.5277515852 4.3739703071 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2088370833 -0.8735913914 0.7161857838 Pt 7.9891152075 1.9526890566 1.8203444687 Pt 7.9682694534 -1.8343833731 3.5199462223 Pt 11.0792588705 0.2540243021 3.0258945688 Pt 11.3668437744 -2.2440834574 2.5998601736 Pt 8.6849556506 0.5889895969 3.8218776798 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9782615154 4.0755500154 1.2442943482 Pt 7.9106370077 5.8379172995 1.9486907152 Pt 7.9406842887 3.5264958348 3.8998613652 Pt 9.9598016009 5.1031105278 3.3659824297 Pt 10.4435323608 2.6575117721 4.1961499377 Pt 7.2632964190 5.3056910293 5.7199737349 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9118174275 7.7792895672 1.2201517692 Pt 7.8241535120 11.1053362056 0.9663757174 Pt 7.7414835945 7.9199234679 3.6244987097 Pt 9.3984199008 9.5186166537 2.6604314959 Pt 9.4236641413 6.8176082105 5.1906735742 Pt 6.7371154233 9.9256536792 5.1131886581 H 2.7155355819 1.6379856752 10.7544597162 O 1.7868434407 1.9190032471 10.7220204540 H 1.8412727437 2.8850540954 10.8325684867 75 i = 122, E = -8672.2275926615 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6624430133 -1.4450272237 1.2799647611 Pt -1.3449370416 1.8341882435 1.1274792529 Pt 0.3015859377 0.3105256789 2.6034885310 Pt 1.6636150377 2.1408793456 3.8881772393 Pt 1.6418376526 -0.4354695235 4.8238135157 Pt -0.7685718676 1.4192444369 4.7797801132 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8068406111 3.9229552556 1.9345579376 Pt -0.4946073970 5.8089961356 1.7718065093 Pt -0.6672954644 3.5121768786 3.1445738234 Pt 1.6673127383 6.0691203912 3.4536928301 Pt 1.9135977193 4.0834879862 5.6506812587 Pt -0.2933162242 5.3390911109 4.9613262060 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.8996148379 8.0824627182 1.8730284729 Pt -0.5178452700 8.9986999216 2.2614609100 Pt -1.8567164317 7.0880521020 3.7606646642 Pt 0.3881793334 11.1240997701 3.4038092005 Pt 1.6661287775 8.0459603428 5.1888985509 Pt -0.6239019063 9.1140487595 4.8569004940 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8997501202 -0.6590362807 1.6944354785 Pt 3.7144608618 1.8188966716 1.9799521552 Pt 3.5856925741 -0.7599036895 3.0492996259 Pt 6.0238186676 1.4693804117 3.3896184029 Pt 5.7485389325 -0.8592057792 4.6259637281 Pt 3.9027716692 1.1344079977 4.9825287702 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8642856670 3.8292096784 1.9466950823 Pt 3.8428692740 5.9134154912 1.8851222785 Pt 3.8504047960 3.9357562388 3.7243905365 Pt 5.8270303158 5.9087234135 3.6203255120 Pt 5.6615412533 3.1299385799 5.4255659242 Pt 3.5503104183 6.1249190998 5.4486278234 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8361435765 8.0202090836 1.9053407532 Pt 3.9782707496 11.0211485824 0.9755305793 Pt 3.8035178048 8.1700721873 3.6139886703 Pt 5.1611177166 10.3508865833 3.1427601955 Pt 5.6848485910 7.6193680447 5.5884624341 Pt 2.7096024151 10.4952259955 4.3946498174 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.1990318594 -0.8421029091 0.6952338818 Pt 7.9965272553 1.9683403143 1.8201293207 Pt 7.9661596020 -1.8538466276 3.5347177740 Pt 11.0872993175 0.2746637945 3.0089625319 Pt 11.4336036876 -2.2004508484 2.5146717308 Pt 8.7004654564 0.5661864630 3.8013985006 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9609092555 4.0726665164 1.2535470290 Pt 7.9056251616 5.8726018312 1.9465769561 Pt 7.9338349914 3.5119182707 3.9187940675 Pt 9.9264225876 5.1080553873 3.3692921845 Pt 10.4440551487 2.6715180132 4.1647729212 Pt 7.2009670356 5.2972780684 5.7189716046 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8790536540 7.7796052441 1.2593866387 Pt 7.8363911563 11.1029599937 0.9829481268 Pt 7.7733086003 7.9631083750 3.6272612320 Pt 9.4566706168 9.5836696716 2.7440390638 Pt 9.3923443823 6.7939399991 5.2214835007 Pt 6.7093653374 9.9445054216 5.1341072813 H 2.7319265498 1.6412989484 10.7856753105 O 1.8035152573 1.9256326089 10.7486674816 H 1.8543733778 2.8984482336 10.7943753443 75 i = 123, E = -8672.2301327195 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6532449137 -1.4625790879 1.2766713215 Pt -1.3484134072 1.8359417237 1.1294739487 Pt 0.2946907699 0.2963614542 2.6005198180 Pt 1.6640075347 2.1266967605 3.8832353069 Pt 1.6206630760 -0.4607165727 4.8253307412 Pt -0.7697517864 1.3806421265 4.7575741786 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8004004232 3.9214769288 1.9364002231 Pt -0.5142494551 5.8107306045 1.7598572753 Pt -0.6617770912 3.5045693952 3.1433325835 Pt 1.6490363234 6.0727746197 3.4598289319 Pt 1.9048179070 4.0861105486 5.6533562904 Pt -0.3150683142 5.3261016492 4.9584430662 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9092963734 8.0756618129 1.8778959853 Pt -0.5112451609 8.9615662446 2.2836371505 Pt -1.8716339491 7.0789821110 3.7726110120 Pt 0.3896212707 11.1051701074 3.4133836833 Pt 1.6803531845 8.0435837266 5.2076202477 Pt -0.6263573187 9.0986636526 4.8688985561 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8989558372 -0.6479261023 1.6916747987 Pt 3.7183939570 1.8164817690 1.9854992409 Pt 3.5788788096 -0.7622124785 3.0399262177 Pt 6.0195317598 1.4513496316 3.4027299501 Pt 5.7368181327 -0.9035429250 4.6317696448 Pt 3.8954444702 1.1069006238 4.9840723263 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8687288577 3.8210283328 1.9510687194 Pt 3.8360369112 5.9146782278 1.8908733500 Pt 3.8426251866 3.9346898499 3.7230515308 Pt 5.8319140439 5.8998208623 3.6115683948 Pt 5.6429515264 3.1177360930 5.4334506527 Pt 3.5599713655 6.1188306149 5.4546193957 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8436666089 8.0159137218 1.9076423117 Pt 3.9800430664 11.0295216240 0.9645021270 Pt 3.8110510175 8.1705448085 3.6237378119 Pt 5.1588861169 10.3515779736 3.1370303933 Pt 5.6927464618 7.6138004470 5.5900204168 Pt 2.7147552416 10.4860824009 4.4036763980 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2115309473 -0.8327306563 0.6530681954 Pt 7.9998620545 1.9620221123 1.8228266871 Pt 7.9690239305 -1.8611938211 3.5498633225 Pt 11.0687656810 0.2513113619 2.9860517115 Pt 11.4660776950 -2.2157365726 2.4289600731 Pt 8.6858637028 0.5750747414 3.8113424482 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9534696143 4.0703150507 1.2586275797 Pt 7.9119085009 5.8900998185 1.9474405328 Pt 7.9258688668 3.4937527357 3.9191362607 Pt 9.9181796581 5.0903460612 3.3820436570 Pt 10.4641612166 2.6465108341 4.1593254850 Pt 7.1888336167 5.2832150941 5.7177114254 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8693307686 7.7816454311 1.2603863535 Pt 7.8511600505 11.1002826586 0.9939997384 Pt 7.7852342015 7.9770817001 3.6414210791 Pt 9.4949082380 9.5970834982 2.7590021731 Pt 9.3841227071 6.7783459336 5.2241739213 Pt 6.6907297682 9.9537681187 5.1268837038 H 2.7428849826 1.6503702322 10.8066684239 O 1.8151951791 1.9352097118 10.7709307334 H 1.8606926812 2.9068133107 10.8016223268 75 i = 124, E = -8672.2326394088 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6501253187 -1.4833711291 1.2677431214 Pt -1.3589070888 1.8335645067 1.1331430259 Pt 0.2805086778 0.2678767340 2.5736755098 Pt 1.6559186611 2.1055932976 3.8714039596 Pt 1.5732735137 -0.4853903590 4.8323216669 Pt -0.7613049124 1.3185130379 4.7441409025 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7965162638 3.9179246953 1.9385105529 Pt -0.5358081587 5.8188900072 1.7647606730 Pt -0.6615060132 3.4851051896 3.1528097296 Pt 1.6391031858 6.0695242364 3.4778815323 Pt 1.8977391454 4.0690015733 5.6471767724 Pt -0.3306052117 5.3092470104 4.9491401336 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9147144166 8.0661265036 1.8724395634 Pt -0.4962044923 8.9133880541 2.3114963161 Pt -1.8829317676 7.0614264983 3.7862055845 Pt 0.3731172154 11.0836725886 3.4168605777 Pt 1.6979174788 8.0621376102 5.2322023612 Pt -0.6354842244 9.0913069629 4.8828695493 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8964410614 -0.6317320331 1.7070751147 Pt 3.7213577048 1.8161451219 1.9955067406 Pt 3.5585689510 -0.7661156581 3.0533016873 Pt 6.0121987524 1.4385361203 3.4231421989 Pt 5.7169553907 -0.9211378872 4.6594671437 Pt 3.8682438826 1.0847487896 5.0008567827 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8613688679 3.8128399600 1.9592387555 Pt 3.8272156620 5.9214388685 1.9028757265 Pt 3.8174893984 3.9379855167 3.7242844018 Pt 5.8461320624 5.8926600432 3.6092047924 Pt 5.6036857739 3.1139441960 5.4316221399 Pt 3.5734595810 6.1139499767 5.4620217477 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8428095831 8.0112622014 1.9089892990 Pt 3.9881972333 11.0417416966 0.9606872276 Pt 3.8118049018 8.1797086694 3.6374049810 Pt 5.1638770778 10.3607907626 3.1341716353 Pt 5.7051992289 7.6170091725 5.5718449774 Pt 2.7069985484 10.4821587383 4.3984291440 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2137395236 -0.7874942218 0.6086187884 Pt 7.9809619137 1.9461911673 1.8152827293 Pt 7.9820057359 -1.8500843399 3.5703550968 Pt 11.0454729975 0.1988273451 2.9783968345 Pt 11.4940218667 -2.2556555953 2.3547473286 Pt 8.6571309947 0.5869559025 3.8581169633 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9417861587 4.0661057181 1.2733621278 Pt 7.9187216791 5.8952686097 1.9422489928 Pt 7.9110089546 3.4618462754 3.9118718132 Pt 9.9080824173 5.0582120829 3.4000963910 Pt 10.4686930532 2.5986290861 4.1778579082 Pt 7.1977436840 5.2485110647 5.7083054539 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8730088425 7.7807366785 1.2444194815 Pt 7.8623444403 11.1024803040 1.0185582630 Pt 7.7897653248 7.9774143691 3.6475096614 Pt 9.5083733479 9.5966578676 2.7610273837 Pt 9.3734171041 6.7672712685 5.2246125730 Pt 6.7017261629 9.9500050755 5.1151075730 H 2.7385064042 1.6660335853 10.8357273167 O 1.8087978356 1.9553756160 10.8065735080 H 1.8666822456 2.9279510342 10.8273902912 75 i = 125, E = -8672.2331045215 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6454895306 -1.4992502500 1.2736548520 Pt -1.3617737224 1.8381399869 1.1227507752 Pt 0.2775998970 0.2496965535 2.5540102920 Pt 1.6614194017 2.0873141770 3.8604892093 Pt 1.5609944279 -0.5072983343 4.8284781145 Pt -0.7680327921 1.2632877181 4.7004242455 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8000501520 3.9138020195 1.9359692293 Pt -0.5527303562 5.8244589997 1.7732353996 Pt -0.6595518508 3.4698197266 3.1462314452 Pt 1.6306591895 6.0636650355 3.4933423639 Pt 1.8789418883 4.0733280474 5.6258945353 Pt -0.3596622966 5.2960058297 4.9380910611 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9222984081 8.0528825798 1.8700098118 Pt -0.4944810106 8.8604982087 2.3312502379 Pt -1.9245978298 7.0440179787 3.7887868230 Pt 0.4013501787 11.0375878177 3.4275493484 Pt 1.7115340042 8.0703313650 5.2416199956 Pt -0.6290598133 9.0655329995 4.8979387629 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.8967244815 -0.6468614278 1.6964923238 Pt 3.7216918830 1.8185379931 1.9990368370 Pt 3.5572295698 -0.7821845165 3.0443033667 Pt 6.0007625635 1.3981244733 3.4256157096 Pt 5.7164161969 -0.9647686882 4.6642412616 Pt 3.8516682338 1.0190901543 5.0134995558 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8662628891 3.8044135027 1.9716813239 Pt 3.8217865163 5.9155037310 1.9048674247 Pt 3.8215596368 3.9409524174 3.7308718447 Pt 5.8550336717 5.9096592925 3.6037875099 Pt 5.5651546404 3.0535392671 5.4383778698 Pt 3.5918109956 6.1120721978 5.4603735540 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8446543369 8.0101017638 1.8996048900 Pt 3.9878985441 11.0487101166 0.9324075220 Pt 3.8166161093 8.1591613274 3.6386399876 Pt 5.1535366375 10.3413380178 3.0891383940 Pt 5.7288188543 7.6234869928 5.5658884432 Pt 2.7358743167 10.4779218334 4.4109712893 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2404658931 -0.7792852961 0.5067448014 Pt 7.9747935697 1.9202901122 1.8164150582 Pt 8.0035865308 -1.8662573135 3.5803400852 Pt 11.0388958881 0.1444064250 2.9227523427 Pt 11.5954871802 -2.2739090921 2.1336834451 Pt 8.6520033290 0.5718165663 3.8389939529 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9222889917 4.0646987443 1.2992924353 Pt 7.9251183075 5.9090439865 1.9432502959 Pt 7.8962767561 3.4138305714 3.9255096918 Pt 9.8729180344 5.0302816068 3.4233127006 Pt 10.4655068637 2.5543648382 4.1635117741 Pt 7.1623270762 5.1972147002 5.6985416119 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8577424544 7.7806750471 1.2402950510 Pt 7.8638418691 11.1039186687 1.0182991878 Pt 7.7966017840 8.0102970640 3.6287131402 Pt 9.5493265394 9.6471249964 2.8219007286 Pt 9.3254475615 6.7587228135 5.2318861368 Pt 6.6612683238 9.9651408472 5.1019476878 H 2.7769603069 1.6810143237 10.8535668562 O 1.8483940309 1.9633676869 10.8332595807 H 1.8910678947 2.9312954909 10.8204029290 75 i = 126, E = -8672.2352891518 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6475835682 -1.4970224122 1.2742412594 Pt -1.3786482954 1.8161863922 1.1398177290 Pt 0.2752136153 0.2451711431 2.5521489967 Pt 1.6541581846 2.0813273986 3.8408540269 Pt 1.5473807724 -0.4941960886 4.8151414771 Pt -0.7661195885 1.2981053611 4.7223790940 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8019077102 3.9150167396 1.9290723698 Pt -0.5368273948 5.8286272378 1.7768647615 Pt -0.6675057377 3.4644293582 3.1353903890 Pt 1.6399757946 6.0611984667 3.4942581121 Pt 1.8880438606 4.0539154863 5.6344306831 Pt -0.3525513373 5.2789601464 4.9382069300 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9276979041 8.0461577625 1.8683841456 Pt -0.4866776229 8.8687476398 2.3343280647 Pt -1.9254945622 7.0232986332 3.7877559765 Pt 0.3716995550 11.0461858136 3.4156920981 Pt 1.6955928073 8.0795609012 5.2202072107 Pt -0.6565291109 9.0674695745 4.8903537940 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9006650290 -0.6565220877 1.7096261299 Pt 3.7203877322 1.8222457298 1.9927644364 Pt 3.5498551844 -0.7737462665 3.0507494388 Pt 5.9840342892 1.4041856506 3.4326380773 Pt 5.7026656911 -0.9421602216 4.6726128844 Pt 3.8409522930 1.0467598383 5.0336800983 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8616335539 3.8074080195 1.9726321028 Pt 3.8315855382 5.9170180911 1.9024727350 Pt 3.8203635487 3.9546395149 3.7251939124 Pt 5.8543545743 5.9093725610 3.6094632503 Pt 5.5698457852 3.0692867076 5.4318460785 Pt 3.5788388631 6.1213135669 5.4620499395 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8340993021 8.0144560267 1.8994088007 Pt 3.9899551842 11.0496936925 0.9335765560 Pt 3.8177599591 8.1767775862 3.6413225973 Pt 5.1595814556 10.3552029772 3.0963933200 Pt 5.7231550527 7.6265002312 5.5602787723 Pt 2.7125351952 10.4902482290 4.3782210656 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2485396092 -0.7615118362 0.5578873627 Pt 7.9668107601 1.9136769329 1.8195879672 Pt 7.9894730223 -1.8369120295 3.5907355308 Pt 11.0365204346 0.1314947120 2.9635354981 Pt 11.5508774547 -2.2984498151 2.2023183323 Pt 8.6542300727 0.5918073975 3.8388657966 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9394660588 4.0621142455 1.2773469263 Pt 7.9199841878 5.8893269013 1.9383136288 Pt 7.8956282449 3.4208990545 3.9292001592 Pt 9.8727421745 5.0188262293 3.3993692713 Pt 10.4602467135 2.5555044344 4.1735070616 Pt 7.1622881698 5.2009813530 5.7081237369 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8924829616 7.7745146398 1.2236544604 Pt 7.8555599170 11.1069853466 1.0195776682 Pt 7.7975252112 7.9989219206 3.6034904982 Pt 9.5469400932 9.6242850746 2.7870569046 Pt 9.3208305359 6.7451308729 5.2171027750 Pt 6.6848771765 9.9442160064 5.0849666301 H 2.7585497934 1.6781673968 10.8451349826 O 1.8333752348 1.9697478249 10.8454568734 H 1.8836955175 2.9360576885 10.8416141440 75 i = 127, E = 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-0.6540765307 9.0587869860 4.8850916421 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9012748070 -0.6778096838 1.7131430141 Pt 3.7173136581 1.8260516693 1.9891382290 Pt 3.5580635327 -0.7735353607 3.0554916218 Pt 5.9730900495 1.3935593961 3.4223308361 Pt 5.7126527077 -0.9415819514 4.6749842043 Pt 3.8453547192 1.0380760503 5.0433517606 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8612778405 3.8107429581 1.9696111757 Pt 3.8349167879 5.9161264587 1.8957708825 Pt 3.8241675736 3.9615863717 3.7198508232 Pt 5.8492646656 5.9038735694 3.6048994135 Pt 5.5817151139 3.0557679946 5.4199120209 Pt 3.5695356849 6.1177615287 5.4605302995 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8277210617 8.0112775850 1.8967206241 Pt 3.9760136174 11.0488660176 0.9130089759 Pt 3.8042568287 8.1792131028 3.6333510709 Pt 5.1387585359 10.3564474735 3.0786760043 Pt 5.7105679016 7.6217803388 5.5509957025 Pt 2.7124109899 10.4875857804 4.3810373656 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2242512056 -0.7520086331 0.5715707797 Pt 7.9474129922 1.9324546190 1.8048312972 Pt 7.9856310132 -1.8416889291 3.5791793192 Pt 11.0356996421 0.1129254419 2.9664205488 Pt 11.5325233970 -2.3158987069 2.2068044476 Pt 8.6566075812 0.5884049868 3.8456982625 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9537076227 4.0627883794 1.2658966980 Pt 7.9078538222 5.8788420379 1.9323191698 Pt 7.8943155583 3.4119137298 3.9383568103 Pt 9.8736803709 5.0137609444 3.3896343235 Pt 10.4529519180 2.5438729954 4.1594410111 Pt 7.1490387687 5.1961998155 5.7094217250 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8998973799 7.7698829666 1.2255974540 Pt 7.8516828717 11.1041096667 1.0165109342 Pt 7.7989023690 7.9919552107 3.5997784459 Pt 9.5214696989 9.6366677317 2.7754316847 Pt 9.3094546457 6.7344656753 5.2064409272 Pt 6.6629358001 9.9549084071 5.0758498911 H 2.7592145905 1.6833450083 10.8548764923 O 1.8265730768 1.9776285679 10.8447092673 H 1.8931104888 2.9529599951 10.8446004890 75 i = 128, E = -8672.2373078236 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6397385399 -1.4929812628 1.2765684384 Pt -1.3901222886 1.7984616770 1.1374447955 Pt 0.2693140642 0.2514864738 2.5547711473 Pt 1.6707914435 2.0763618624 3.8376267830 Pt 1.5391205326 -0.4898942810 4.8021415754 Pt -0.7743915479 1.2916453486 4.7227731153 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7909894419 3.9182094931 1.9356854601 Pt -0.5230673693 5.8229011557 1.7891586191 Pt -0.6782510921 3.4483880453 3.1335120846 Pt 1.6498852708 6.0541852887 3.4886596954 Pt 1.8913812149 4.0361762749 5.6167444761 Pt -0.3480776705 5.2731079154 4.9276304654 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9356552004 8.0353001895 1.8562821389 Pt -0.4725881305 8.8438567094 2.3361656898 Pt -1.9495355041 7.0084298960 3.7976328763 Pt 0.3659681979 11.0362909685 3.4083792978 Pt 1.7020454678 8.0633894506 5.2217893429 Pt -0.6535262685 9.0422825626 4.8842953253 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9035658237 -0.6861207770 1.7140105056 Pt 3.7157574366 1.8280078841 1.9880464176 Pt 3.5579430385 -0.7770791864 3.0511162785 Pt 5.9645628853 1.3782397576 3.4196077652 Pt 5.7045276662 -0.9527684634 4.6863212561 Pt 3.8389219995 1.0099722318 5.0599493546 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8667412692 3.8114294752 1.9698520106 Pt 3.8357149053 5.9129837658 1.8920134927 Pt 3.8322996179 3.9642286607 3.7190178633 Pt 5.8508250948 5.9112114784 3.6023748334 Pt 5.5561449425 3.0359481146 5.4236818179 Pt 3.5767431379 6.1144895053 5.4622062903 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8272931100 8.0073932242 1.8943262104 Pt 3.9732890480 11.0453266822 0.9103644606 Pt 3.8101370784 8.1793306942 3.6332760888 Pt 5.1421642298 10.3559670290 3.0731184111 Pt 5.7104986387 7.6278826099 5.5509467889 Pt 2.7069347143 10.4830588074 4.3772165311 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2377568008 -0.7396005193 0.5546689200 Pt 7.9401583680 1.9289150601 1.8069874470 Pt 7.9951761926 -1.8325162081 3.5787285972 Pt 11.0434325518 0.0897754637 2.9689655096 Pt 11.5611889515 -2.3289127460 2.1454344935 Pt 8.6579970045 0.5886663352 3.8364084448 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9539890140 4.0653773117 1.2700826813 Pt 7.9049423324 5.8747213262 1.9239330371 Pt 7.8884198736 3.3860059841 3.9560153502 Pt 9.8578092942 5.0025720598 3.3931205750 Pt 10.4492970383 2.5387880338 4.1484336566 Pt 7.1189369563 5.1813327293 5.7120026449 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9034973175 7.7604737201 1.2239348239 Pt 7.8518318571 11.1014694759 1.0157712109 Pt 7.8064038277 8.0017943868 3.5805680554 Pt 9.5350225373 9.6584511859 2.7950569753 Pt 9.2802204407 6.7282162010 5.2041009661 Pt 6.6643310989 9.9559930001 5.0715292211 H 2.7670783367 1.6900623351 10.8544532771 O 1.8365516567 1.9824907496 10.8584171661 H 1.9033759805 2.9555717525 10.8463304030 75 i = 129, E = -8672.2377898615 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6318551477 -1.5022208941 1.2892557586 Pt -1.4102696034 1.7835287631 1.1400783215 Pt 0.2548266741 0.2446167594 2.5538917838 Pt 1.6839580370 2.0524170747 3.8314562069 Pt 1.5209200637 -0.5145556213 4.7917528860 Pt -0.7742872804 1.2598553923 4.7145998835 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7858804483 3.9073775417 1.9375314541 Pt -0.5197310666 5.8190265881 1.7995370260 Pt -0.6747171581 3.4271740806 3.1248770034 Pt 1.6533161185 6.0462564765 3.4919324851 Pt 1.8933502598 4.0198262766 5.6042867491 Pt -0.3458806750 5.2501939177 4.9221819028 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9517636824 8.0268043754 1.8496391638 Pt -0.4638221427 8.7933185157 2.3593868856 Pt -1.9722935976 6.9757012279 3.8063914325 Pt 0.3416638353 11.0085544946 3.4041918460 Pt 1.7076931461 8.0504088568 5.2267608633 Pt -0.6550304550 9.0092016263 4.8939673493 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9074731695 -0.7018359908 1.7120748383 Pt 3.7117865537 1.8309005769 1.9844827977 Pt 3.5545468867 -0.7830051056 3.0441518745 Pt 5.9394923356 1.3482556637 3.4149949420 Pt 5.6923869095 -0.9698491534 4.7107819547 Pt 3.8285308765 0.9518328766 5.0937019105 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8766497673 3.8082530761 1.9701296363 Pt 3.8360769724 5.9071342650 1.8887496623 Pt 3.8369159425 3.9648180101 3.7121519678 Pt 5.8574788854 5.9120958727 3.5990650838 Pt 5.5119422466 2.9998672771 5.4249368830 Pt 3.5864717076 6.1034560669 5.4637936841 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8242296730 8.0024054984 1.8867888363 Pt 3.9699082501 11.0491836280 0.8912264475 Pt 3.8174918344 8.1722741012 3.6385140319 Pt 5.1272115831 10.3528224370 3.0521451790 Pt 5.7162437055 7.6294093119 5.5455240187 Pt 2.6908948516 10.4774251666 4.3649082084 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2547267136 -0.7162286717 0.5347908028 Pt 7.9312915335 1.9195055820 1.8113729854 Pt 7.9925534300 -1.8134567198 3.5852762645 Pt 11.0381618840 0.0353011013 2.9812777080 Pt 11.5730778403 -2.3758357669 2.0487788271 Pt 8.6517890535 0.6078122914 3.8291695043 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9568482033 4.0644618505 1.2668842968 Pt 7.9023339208 5.8719094827 1.9174902772 Pt 7.8774811726 3.3448066482 3.9851151734 Pt 9.8310335351 4.9770394333 3.3875666128 Pt 10.4524797253 2.5216920880 4.1245714071 Pt 7.0801613064 5.1473018840 5.7185757481 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9032584390 7.7514316964 1.2266750841 Pt 7.8509207597 11.1002556788 1.0164716873 Pt 7.8077534216 8.0194372296 3.5615732417 Pt 9.5385609032 9.6767805519 2.8092501884 Pt 9.2377890324 6.7049708337 5.1932420354 Pt 6.6484236591 9.9607595946 5.0510188112 H 2.7805221670 1.7030625287 10.8840277799 O 1.8499212235 1.9949797330 10.9018652934 H 1.9139572560 2.9640777472 10.8742386488 75 i = 130, E = -8672.2384133892 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6368833245 -1.4929785671 1.2858234023 Pt -1.4031642312 1.7870872810 1.1405112546 Pt 0.2603336043 0.2515359165 2.5582695418 Pt 1.6878935473 2.0553160642 3.8406939486 Pt 1.5243620756 -0.5043305799 4.7993936745 Pt -0.7722950214 1.2797092363 4.7309046854 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7897062871 3.9080930152 1.9386739603 Pt -0.5135119974 5.8161548961 1.8011448860 Pt -0.6714703722 3.4295193028 3.1280446532 Pt 1.6592409149 6.0531574863 3.4909242903 Pt 1.8984530697 4.0266610790 5.6124881033 Pt -0.3423097096 5.2585551988 4.9207043274 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9447886838 8.0300795768 1.8514182222 Pt -0.4646891347 8.8155884971 2.3493686847 Pt -1.9688452407 6.9829247528 3.8016254888 Pt 0.3523474418 11.0182761051 3.4079813251 Pt 1.7036387543 8.0524874787 5.2292920727 Pt -0.6556420557 9.0175049990 4.8870828689 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9044506704 -0.7007984575 1.7115318716 Pt 3.7103351807 1.8331321433 1.9840006866 Pt 3.5555870884 -0.7796099993 3.0470765746 Pt 5.9376119039 1.3471078713 3.4124759753 Pt 5.7016185514 -0.9737563291 4.7101397387 Pt 3.8351872854 0.9501806771 5.1003576444 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8800528399 3.8100037442 1.9715995785 Pt 3.8376581969 5.9083915036 1.8880133040 Pt 3.8397000174 3.9692864935 3.7135131968 Pt 5.8530382303 5.9153119702 3.5958353776 Pt 5.5162830814 2.9948882803 5.4232297641 Pt 3.5844735314 6.1099488575 5.4713018770 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8232103014 8.0068123133 1.8887103786 Pt 3.9700544864 11.0454981764 0.9003985814 Pt 3.8122757023 8.1754695639 3.6353409554 Pt 5.1296177989 10.3537185116 3.0660105289 Pt 5.7087939390 7.6380534043 5.5474219964 Pt 2.6948718554 10.4779378785 4.3741025848 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2567861576 -0.7059434660 0.5578373578 Pt 7.9303964973 1.9251801676 1.8073058068 Pt 7.9955966942 -1.8102323762 3.5724865764 Pt 11.0527477992 0.0419909007 2.9856108866 Pt 11.5744821264 -2.3739085386 2.0643866194 Pt 8.6598528285 0.6051648359 3.8289959653 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9605396351 4.0676717401 1.2679020028 Pt 7.9011867214 5.8715862185 1.9158826354 Pt 7.8837430371 3.3403261471 3.9951684508 Pt 9.8311449453 4.9831424669 3.3888461181 Pt 10.4602878375 2.5260185182 4.1207013252 Pt 7.0754326121 5.1546885552 5.7137921127 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.9004979425 7.7532695165 1.2334723182 Pt 7.8505678709 11.0973842788 1.0078066349 Pt 7.8058830576 8.0139328841 3.5608037741 Pt 9.5321107048 9.6835315807 2.8137757210 Pt 9.2400934334 6.7052917921 5.1898120411 Pt 6.6629095654 9.9585798071 5.0544724960 H 2.7763847223 1.6977251851 10.8631430211 O 1.8477345268 1.9902081043 10.8870573739 H 1.9141137009 2.9604759270 10.8695221339 75 i = 131, E = -8672.2388691346 Pt -0.0014044828 -0.0014044832 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3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9052508864 -0.7012677109 1.7074647626 Pt 3.7105661587 1.8344785282 1.9823725619 Pt 3.5611942806 -0.7756008717 3.0474876030 Pt 5.9365852086 1.3476610001 3.4101628310 Pt 5.7083268082 -0.9766645341 4.7132309209 Pt 3.8429142318 0.9425314423 5.1100039843 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8823891008 3.8119027902 1.9733908601 Pt 3.8364673159 5.9086710579 1.8868153963 Pt 3.8390680703 3.9679576051 3.7135806538 Pt 5.8502425714 5.9200426941 3.5964730300 Pt 5.5190758162 2.9953805744 5.4192521125 Pt 3.5777538866 6.1075516070 5.4768965539 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8197276821 8.0084426352 1.8898079251 Pt 3.9685427456 11.0433978252 0.9060028828 Pt 3.8019673194 8.1704026936 3.6372605326 Pt 5.1232242293 10.3536981081 3.0758539317 Pt 5.6958479498 7.6369295818 5.5487355144 Pt 2.6921931957 10.4805121577 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6.6709543878 9.9539114797 5.0541510565 H 2.7709749871 1.6934513205 10.8554204255 O 1.8407682492 1.9884089189 10.8757168609 H 1.9100103197 2.9605533443 10.8695264459 75 i = 132, E = -8672.2393381283 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6267156408 -1.5015537946 1.2935830860 Pt -1.4045238684 1.7818585113 1.1466679600 Pt 0.2621154979 0.2564227133 2.5630752453 Pt 1.7211271575 2.0355432305 3.8587614716 Pt 1.5207687514 -0.5213842441 4.8077337483 Pt -0.7482544807 1.2845206960 4.7550125704 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7942845974 3.9046961894 1.9446415178 Pt -0.5177978682 5.8193349422 1.7977037703 Pt -0.6446175244 3.4242306221 3.1314372840 Pt 1.6613257127 6.0512639910 3.4927320883 Pt 1.9058106440 4.0258523606 5.6213919451 Pt -0.3338881806 5.2572721656 4.9272742662 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9390629443 8.0332988960 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5.8137805580 8.0137142400 1.8913513129 Pt 3.9652439240 11.0432272775 0.9058471856 Pt 3.7908637738 8.1621797250 3.6429526209 Pt 5.1047879762 10.3456548141 3.0813898711 Pt 5.6890355369 7.6388611708 5.5505418681 Pt 2.6817083443 10.4831233281 4.3796112248 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2484884224 -0.6699487069 0.6049394493 Pt 7.9224164455 1.9354211795 1.8127446535 Pt 7.9843678767 -1.7941120039 3.5514361737 Pt 11.0722802137 0.0262897990 3.0174301449 Pt 11.5534979436 -2.4029403910 2.0580514803 Pt 8.6746481467 0.6124484656 3.8355023047 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9650749255 4.0675315758 1.2776964395 Pt 7.8949602616 5.8823685539 1.9129083502 Pt 7.8989920130 3.3054677130 4.0352642360 Pt 9.8167815431 4.9739355472 3.3897666610 Pt 10.4878479530 2.5231586822 4.1034960458 Pt 7.0527163031 5.1444555974 5.6971014914 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8736051428 7.7592069887 1.2643183865 Pt 7.8530331992 11.0926814876 0.9959103158 Pt 7.7984058651 8.0123105596 3.5716813657 Pt 9.5001935105 9.6886083251 2.8020215796 Pt 9.2302823114 6.6911558942 5.1895732149 Pt 6.6707501724 9.9511893001 5.0478516089 H 2.7692185644 1.6955020044 10.8600062568 O 1.8397972691 1.9910367461 10.8862517032 H 1.9109323344 2.9641872093 10.8837809347 75 i = 133, E = -8672.2395836213 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6207945698 -1.5071940005 1.2987908213 Pt -1.4065574567 1.7776808354 1.1510947613 Pt 0.2702048646 0.2622128085 2.5667433880 Pt 1.7420954861 2.0307860208 3.8644142871 Pt 1.5235740035 -0.5249560343 4.8095505136 Pt -0.7337970693 1.2787003984 4.7546805909 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7959013042 3.9027665969 1.9467527140 Pt -0.5158699581 5.8226341384 1.7976622769 Pt -0.6342242125 3.4270911770 3.1299839121 Pt 1.6622307843 6.0506108804 3.4943229741 Pt 1.9036639762 4.0289178162 5.6194281249 Pt -0.3302262425 5.2552219011 4.9305041198 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9322040983 8.0336351847 1.8533197540 Pt -0.4779514329 8.8013419148 2.3521379322 Pt -1.9794321484 6.9560864989 3.8215689768 Pt 0.3208895441 11.0141367861 3.4203380576 Pt 1.6827328220 8.0466078276 5.2434050607 Pt -0.6805711979 9.0067451006 4.8897826523 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9084523639 -0.7142781588 1.6981524392 Pt 3.7155246955 1.8436279818 1.9755520067 Pt 3.5600264695 -0.7667709252 3.0426942670 Pt 5.9170296158 1.3153029144 3.4066397628 Pt 5.7155504190 -1.0071504829 4.7269912176 Pt 3.8562715095 0.8728809658 5.1576419092 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8946845933 3.8162127539 1.9832258836 Pt 3.8351807559 5.9058500082 1.8842695081 Pt 3.8429046197 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1.9138074606 Pt 7.9061358857 3.2864057902 4.0548675241 Pt 9.8091568478 4.9631418669 3.3910872869 Pt 10.4976368284 2.5174128133 4.1015354353 Pt 7.0464728508 5.1379657169 5.6923034055 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8627834069 7.7564067252 1.2762312120 Pt 7.8499287519 11.0910263432 0.9888307721 Pt 7.7950550217 8.0116581725 3.5724967691 Pt 9.4929804564 9.6868728748 2.7968840861 Pt 9.2239057453 6.6851877102 5.1873870785 Pt 6.6746626485 9.9472643813 5.0437012867 H 2.7666195091 1.6944082804 10.8465555760 O 1.8392095934 1.9882572298 10.8855893036 H 1.9078595963 2.9599057526 10.8935600909 75 i = 134, E = -8672.2398433348 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6140963607 -1.5152276536 1.3015755320 Pt -1.4103619748 1.7747390506 1.1518877394 Pt 0.2779056717 0.2634800271 2.5635001284 Pt 1.7520213275 2.0285590785 3.8627884605 Pt 1.5266214523 -0.5292737559 4.8055257126 Pt -0.7213404106 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4.7262741602 Pt 3.8590898696 0.8650598355 5.1640078582 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8957518884 3.8177635890 1.9850384097 Pt 3.8338200944 5.9052190898 1.8856427143 Pt 3.8434929074 3.9731114180 3.7190381006 Pt 5.8421964081 5.9346988232 3.5945546776 Pt 5.4952449852 2.9493395102 5.4140270732 Pt 3.5563493022 6.1077256844 5.4909425472 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8088195466 8.0171080843 1.8932973098 Pt 3.9615597088 11.0435896486 0.9061486777 Pt 3.7830844730 8.1543252632 3.6480239818 Pt 5.0875441787 10.3368918723 3.0848182104 Pt 5.6807343287 7.6321331014 5.5628779635 Pt 2.6685532946 10.4823831335 4.3739988501 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2547951159 -0.6560082018 0.6138403772 Pt 7.9169842176 1.9334210750 1.8178893414 Pt 7.9843761824 -1.7884633488 3.5446693894 Pt 11.0832340294 0.0164440395 3.0388391251 Pt 11.5514254658 -2.4064027995 2.0327431527 Pt 8.6785461940 0.6152991575 3.8333272280 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9649667603 4.0659130122 1.2838645260 Pt 7.8930669972 5.8829882501 1.9158277576 Pt 7.9125041222 3.2752333994 4.0633984381 Pt 9.8041160526 4.9590250654 3.3938121181 Pt 10.5060202326 2.5145862922 4.1027337742 Pt 7.0447674281 5.1263309222 5.6872423320 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8538861750 7.7553811951 1.2811369722 Pt 7.8506102813 11.0898492492 0.9897277196 Pt 7.7942514756 8.0108464548 3.5739790809 Pt 9.4956191274 9.6850600146 2.7929986040 Pt 9.2161058018 6.6833310544 5.1958880994 Pt 6.6673420448 9.9428975262 5.0422664477 H 2.7680045770 1.6925649691 10.8442065121 O 1.8394747877 1.9881996526 10.8857464130 H 1.9047062446 2.9594858481 10.8949742811 75 i = 135, E = -8672.2400225846 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6101594266 -1.5217927219 1.2997169487 Pt -1.4152042119 1.7708142542 1.1534512433 Pt 0.2882305363 0.2686556196 2.5567563203 Pt 1.7644522029 2.0316416208 3.8587612773 Pt 1.5271792942 -0.5245926620 4.8013550716 Pt -0.7070396205 1.2858705147 4.7500477043 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.7998384492 3.9006308746 1.9418304701 Pt -0.5229123834 5.8331454298 1.7956970502 Pt -0.6301326587 3.4278182614 3.1202471285 Pt 1.6529532354 6.0468198369 3.4907470524 Pt 1.8937768991 4.0218619100 5.6166334314 Pt -0.3410790517 5.2520717177 4.9274774771 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9291289663 8.0316285111 1.8525064440 Pt -0.4887213640 8.7859521839 2.3587074679 Pt -1.9966772845 6.9486982254 3.8321970742 Pt 0.3059983750 11.0091714120 3.4247296370 Pt 1.6600722961 8.0537583167 5.2310854745 Pt -0.7055851827 9.0057979221 4.8948831026 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9094197304 -0.7225771818 1.6995490020 Pt 3.7373469716 1.8494949672 1.9699763896 Pt 3.5596849110 -0.7605576503 3.0400623698 Pt 5.9241020552 1.3008582381 3.4171134039 Pt 5.7153150747 -1.0258593119 4.7224848465 Pt 3.8631115592 0.8593382959 5.1685234427 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.8972986814 3.8200459693 1.9847846203 Pt 3.8323347245 5.9068187858 1.8857521736 Pt 3.8471152449 3.9747795911 3.7201314882 Pt 5.8388553129 5.9348928028 3.5951016699 Pt 5.4947110920 2.9477895777 5.4120512426 Pt 3.5471994501 6.1151400972 5.4870294268 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8112642483 8.0158442099 1.8944057197 Pt 3.9614284180 11.0429761984 0.9079285274 Pt 3.7819414347 8.1539373344 3.6481045038 Pt 5.0871115043 10.3351796732 3.0856369811 Pt 5.6792953217 7.6315326494 5.5663770470 Pt 2.6655924909 10.4804875481 4.3690167233 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2554185429 -0.6482706232 0.6135249140 Pt 7.9134572016 1.9330414697 1.8189193328 Pt 7.9892803905 -1.7945228036 3.5442059987 Pt 11.0911114213 0.0142132249 3.0462675880 Pt 11.5599125483 -2.4015735437 2.0239773352 Pt 8.6835165013 0.6086937934 3.8278437334 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9654011466 4.0656493446 1.2822821062 Pt 7.8893471967 5.8795554928 1.9166418052 Pt 7.9201604452 3.2602319238 4.0692236645 Pt 9.8023756195 4.9508804500 3.3953398544 Pt 10.5115015099 2.5075152125 4.1054963210 Pt 7.0447919894 5.1189733745 5.6829840463 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8513368728 7.7519331791 1.2826022946 Pt 7.8501734031 11.0909363953 0.9871238718 Pt 7.7990612973 8.0104790619 3.5716110185 Pt 9.5019242848 9.6824798474 2.7890911262 Pt 9.2118147733 6.6784477683 5.2019292347 Pt 6.6692933936 9.9409750879 5.0417096879 H 2.7617418695 1.6899597231 10.8290041355 O 1.8353234473 1.9872242441 10.8834086954 H 1.9024075106 2.9594059146 10.8968697452 75 i = 136, E = -8672.2401184669 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6084993336 -1.5227440498 1.2993054741 Pt -1.4188142417 1.7684354436 1.1519317534 Pt 0.2964495023 0.2771785476 2.5517721966 Pt 1.7781836002 2.0308636665 3.8569381933 Pt 1.5292794118 -0.5228484332 4.7995260993 Pt -0.6937894594 1.2874748403 4.7495402799 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8002124034 3.8984776082 1.9411585171 Pt -0.5252459543 5.8330346728 1.7975508618 Pt -0.6287900846 3.4244809065 3.1176540584 Pt 1.6501371210 6.0454122275 3.4871678436 Pt 1.8911747758 4.0184340556 5.6163914164 Pt -0.3436467946 5.2495904183 4.9242905278 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9277466512 8.0318262684 1.8519309685 Pt -0.4926492833 8.7890453806 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3.9599971230 11.0428073980 0.9078935269 Pt 3.7807784758 8.1535609925 3.6478956040 Pt 5.0832022703 10.3320856780 3.0865365682 Pt 5.6710138483 7.6265646666 5.5708747711 Pt 2.6619014082 10.4790980322 4.3640936947 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2568840252 -0.6403080226 0.6204543691 Pt 7.9109947693 1.9327703028 1.8179832784 Pt 7.9891568386 -1.8010482457 3.5452608415 Pt 11.0997636569 0.0124555643 3.0506899176 Pt 11.5595564160 -2.3976606584 2.0198585502 Pt 8.6883494164 0.6001680633 3.8207845560 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9644208358 4.0668109682 1.2844569191 Pt 7.8870268561 5.8744626342 1.9162811647 Pt 7.9240334114 3.2465846337 4.0797796747 Pt 9.7981769013 4.9482079207 3.3990853183 Pt 10.5174425861 2.5012066078 4.1066085260 Pt 7.0426788668 5.1096732182 5.6821187611 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8494008575 7.7509815622 1.2855147168 Pt 7.8496896815 11.0900930580 0.9873729580 Pt 7.8001121338 8.0063855564 3.5697488114 Pt 9.5008838061 9.6820193640 2.7855522199 Pt 9.2032230750 6.6766416422 5.2028770867 Pt 6.6667658965 9.9313994042 5.0406560113 H 2.7609354330 1.6897352826 10.8201190784 O 1.8341382071 1.9854486786 10.8790087436 H 1.9022130159 2.9575210038 10.9030086045 75 i = 137, E = -8672.2401896384 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6080981557 -1.5225004895 1.2990486771 Pt -1.4194278844 1.7669067381 1.1501698213 Pt 0.3021251339 0.2859623943 2.5485179978 Pt 1.7900149332 2.0280329458 3.8565707752 Pt 1.5269407976 -0.5222132850 4.7986214840 Pt -0.6830858677 1.2891094638 4.7510529609 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8017068079 3.8967627259 1.9409624749 Pt -0.5292026298 5.8317828069 1.7984120075 Pt -0.6269664549 3.4224698447 3.1145518146 Pt 1.6468954480 6.0442377118 3.4843273827 Pt 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5.9347742186 3.5980263021 Pt 5.4854423551 2.9377158373 5.4150183440 Pt 3.5327407572 6.1166996383 5.4868902711 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8128599324 8.0149344037 1.8947203155 Pt 3.9594937594 11.0418683919 0.9073220727 Pt 3.7811436791 8.1515400472 3.6486756179 Pt 5.0824207750 10.3326972073 3.0876328580 Pt 5.6669792247 7.6255941167 5.5736821436 Pt 2.6595735019 10.4764338310 4.3608635355 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2581138136 -0.6327729419 0.6269986225 Pt 7.9095820875 1.9324433766 1.8193565603 Pt 7.9895461883 -1.8029385900 3.5448012307 Pt 11.1084843043 0.0104591474 3.0556915600 Pt 11.5597759135 -2.3995172376 2.0158477826 Pt 8.6938362764 0.5940602314 3.8165024629 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9628256347 4.0655244787 1.2855766510 Pt 7.8862311831 5.8724859938 1.9161333619 Pt 7.9278774986 3.2341818708 4.0893078483 Pt 9.7951433626 4.9419200095 3.4002996621 Pt 10.5230796205 2.4967012521 4.1061581089 Pt 7.0386436363 5.1031370733 5.6796855460 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8489379471 7.7503772828 1.2886331358 Pt 7.8504827721 11.0903553179 0.9867349571 Pt 7.8018797744 8.0061980960 3.5677071911 Pt 9.5031871072 9.6813137298 2.7859175598 Pt 9.1977465932 6.6699439448 5.2025949921 Pt 6.6668725829 9.9285963859 5.0393525468 H 2.7584676758 1.6886611434 10.8143432403 O 1.8325176496 1.9853203270 10.8795918522 H 1.9017702439 2.9578160942 10.9082717571 75 i = 138, E = -8672.2402502688 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6100517345 -1.5199147333 1.2991869642 Pt -1.4189164905 1.7681970977 1.1449644088 Pt 0.3063894663 0.2944073779 2.5450984382 Pt 1.7982630582 2.0251126902 3.8559483267 Pt 1.5254115202 -0.5230527058 4.7982864810 Pt -0.6764256608 1.2879873521 4.7514686214 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8042191398 3.8949353554 1.9398412414 Pt -0.5353298517 5.8299610189 1.7972556648 Pt -0.6243344160 3.4193793387 3.1099695371 Pt 1.6433576251 6.0421784107 3.4802217880 Pt 1.8914393412 4.0182620395 5.6109684525 Pt -0.3469107219 5.2422596909 4.9211997663 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9291067870 8.0330550488 1.8533720096 Pt -0.4888864138 8.7963130852 2.3510983920 Pt -2.0078147349 6.9425825231 3.8323582493 Pt 0.2999608309 11.0168140527 3.4241190466 Pt 1.6456715076 8.0513640556 5.2172713567 Pt -0.7226933011 9.0044523044 4.8844751440 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9097988514 -0.7252477160 1.7031897943 Pt 3.7591463251 1.8517642007 1.9641279379 Pt 3.5594196472 -0.7610777130 3.0395525863 Pt 5.9296370613 1.2866162466 3.4306069518 Pt 5.7180275017 -1.0436710279 4.7330551689 Pt 3.8711183950 0.8347867569 5.1854961126 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.9047890043 3.8210014490 1.9837229007 Pt 3.8326948100 5.9075725530 1.8868925780 Pt 3.8519574546 3.9736083269 3.7154030555 Pt 5.8393866912 5.9319002084 3.5966523953 Pt 5.4816688172 2.9370069501 5.4157796572 Pt 3.5301218097 6.1135611001 5.4832506937 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8137086864 8.0128470723 1.8933895929 Pt 3.9609532709 11.0428255007 0.9065689256 Pt 3.7828453983 8.1496585658 3.6479571620 Pt 5.0845894900 10.3311695253 3.0860143822 Pt 5.6625523597 7.6223677688 5.5747447497 Pt 2.6597831036 10.4750899531 4.3576995296 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2572934015 -0.6315686728 0.6308471787 Pt 7.9097084899 1.9319478725 1.8213672760 Pt 7.9878940495 -1.8108160410 3.5453842357 Pt 11.1180695141 0.0098811235 3.0551848963 Pt 11.5563306667 -2.4014304191 2.0169683329 Pt 8.7013062623 0.5867739825 3.8113090718 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9584988927 4.0640633113 1.2886230170 Pt 7.8875641189 5.8704387697 1.9157796143 Pt 7.9314541740 3.2268977556 4.0944217634 Pt 9.7943577041 4.9383127349 3.4034626386 Pt 10.5277983639 2.4921510465 4.1068483528 Pt 7.0394752112 5.0984421730 5.6778353872 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8511536228 7.7527253779 1.2876195864 Pt 7.8512599765 11.0912146027 0.9862416171 Pt 7.8031416530 8.0037173787 3.5660927584 Pt 9.5026042146 9.6776525100 2.7852419668 Pt 9.1968774092 6.6685002433 5.2027244980 Pt 6.6655647094 9.9219212672 5.0393944507 H 2.7587731448 1.6885883091 10.8129345505 O 1.8327639800 1.9852118332 10.8778642020 H 1.9009003208 2.9570768527 10.9140975851 75 i = 139, E = -8672.2402843843 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6113555909 -1.5186401565 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5.9101944913 -0.7245488798 1.7036074632 Pt 3.7608527720 1.8486106802 1.9647789211 Pt 3.5606986501 -0.7646958902 3.0422405087 Pt 5.9314015738 1.2841278759 3.4325217565 Pt 5.7193981896 -1.0467715454 4.7360823172 Pt 3.8714806772 0.8304728150 5.1868292140 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.9062550553 3.8197116662 1.9843091597 Pt 3.8333173643 5.9063765254 1.8869973418 Pt 3.8535118301 3.9715046375 3.7140286983 Pt 5.8417804586 5.9321135129 3.5960075515 Pt 5.4799479150 2.9342609863 5.4178419430 Pt 3.5314998405 6.1099315887 5.4795016531 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8144422634 8.0123441268 1.8924731967 Pt 3.9613005057 11.0429033501 0.9063900534 Pt 3.7859803209 8.1492524439 3.6483208723 Pt 5.0876957763 10.3308392862 3.0843344832 Pt 5.6629609662 7.6193105792 5.5751177915 Pt 2.6607586690 10.4736894823 4.3563905117 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2569541032 -0.6337916393 0.6304002433 Pt 7.9106670416 1.9305596548 1.8228388604 Pt 7.9876385319 -1.8108550577 3.5448691641 Pt 11.1226270736 0.0099324520 3.0528495084 Pt 11.5563930481 -2.4033072873 2.0176670710 Pt 8.7050382779 0.5832671510 3.8099889676 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9555095934 4.0626835026 1.2907640139 Pt 7.8897352083 5.8706980851 1.9158029084 Pt 7.9332904774 3.2237137787 4.0969891332 Pt 9.7949304672 4.9367237362 3.4059566095 Pt 10.5292581981 2.4906453136 4.1083648479 Pt 7.0385824351 5.0960641710 5.6779742502 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8533419860 7.7526030841 1.2853541362 Pt 7.8518462132 11.0901785628 0.9869838609 Pt 7.8046519932 8.0025874274 3.5656011372 Pt 9.5056219548 9.6761752064 2.7885888112 Pt 9.1965971135 6.6668486402 5.2028799387 Pt 6.6657145963 9.9197250804 5.0397534408 H 2.7593732180 1.6895624605 10.8152329037 O 1.8333373085 1.9855656099 10.8794894005 H 1.9016186053 2.9574651866 10.9147276691 75 i = 140, E = -8672.2403098171 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6125934585 -1.5180486925 1.2992045958 Pt -1.4170331308 1.7707015383 1.1391393735 Pt 0.3121889611 0.3010004104 2.5418786695 Pt 1.8044322910 2.0219542278 3.8577721178 Pt 1.5221150216 -0.5270850717 4.7970643694 Pt -0.6730464695 1.2833263679 4.7525583078 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8074987769 3.8911686167 1.9377004382 Pt -0.5406243974 5.8303727644 1.7935970168 Pt -0.6218747022 3.4166859494 3.1068167480 Pt 1.6406269424 6.0380166244 3.4754342347 Pt 1.8892716266 4.0160977468 5.6082410452 Pt -0.3490708888 5.2408631348 4.9172774858 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9336585784 8.0327341981 1.8531393370 Pt -0.4843463143 8.7895512441 2.3533961372 Pt -2.0090031775 6.9432122438 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3.7871966316 8.1493153500 3.6485264938 Pt 5.0911909036 10.3286808432 3.0822940610 Pt 5.6629150726 7.6148999781 5.5752072565 Pt 2.6626382011 10.4731452655 4.3563036177 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2559839319 -0.6384729189 0.6284875880 Pt 7.9108304178 1.9288886217 1.8235832109 Pt 7.9880180724 -1.8133788483 3.5434006833 Pt 11.1279706322 0.0093823245 3.0484772591 Pt 11.5575137859 -2.4067378074 2.0168382628 Pt 8.7102698767 0.5817870351 3.8084484946 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9536013531 4.0618175521 1.2930271897 Pt 7.8923687723 5.8700097881 1.9153420148 Pt 7.9360967613 3.2192999726 4.0991985097 Pt 9.7942495096 4.9354270278 3.4084770469 Pt 10.5317550378 2.4894477707 4.1091746507 Pt 7.0386426348 5.0938074223 5.6756317082 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8558486069 7.7531570918 1.2811768134 Pt 7.8515480686 11.0893115726 0.9855454782 Pt 7.8048140009 8.0006494437 3.5643487455 Pt 9.5071959605 9.6740299522 2.7911162176 Pt 9.1969375052 6.6672586245 5.2047587910 Pt 6.6663786552 9.9158124580 5.0405598969 H 2.7613392308 1.6900012824 10.8157758517 O 1.8349816477 1.9856403922 10.8794311577 H 1.9020111393 2.9574037385 10.9153218580 75 i = 141, E = -8672.2403208912 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6130290449 -1.5174540527 1.3000876461 Pt -1.4159617502 1.7716476269 1.1387359797 Pt 0.3136363225 0.3014764328 2.5426544187 Pt 1.8053099276 2.0225822365 3.8587818946 Pt 1.5243119147 -0.5283723906 4.7970409789 Pt -0.6719762664 1.2831857530 4.7521885504 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8083129308 3.8894325324 1.9371933635 Pt -0.5404723671 5.8309963903 1.7914878891 Pt -0.6210351825 3.4166827766 3.1059458071 Pt 1.6397663245 6.0365690693 3.4736162161 Pt 1.8875280059 4.0159243740 5.6079808632 Pt 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2.9301801110 5.4187713560 Pt 3.5295520942 6.1056085667 5.4725687865 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8149535804 8.0104071832 1.8911755632 Pt 3.9611835845 11.0426124755 0.9081375034 Pt 3.7890837054 8.1488347167 3.6488058472 Pt 5.0937777628 10.3265877613 3.0816759734 Pt 5.6641017104 7.6116668496 5.5761126837 Pt 2.6634233067 10.4728330592 4.3569929202 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2543887239 -0.6429619038 0.6266168128 Pt 7.9117661869 1.9281204806 1.8239458396 Pt 7.9882260067 -1.8134990856 3.5427305244 Pt 11.1294223689 0.0114606279 3.0452446747 Pt 11.5584754518 -2.4062660097 2.0208533669 Pt 8.7132802809 0.5795811516 3.8081712648 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9532413094 4.0615370829 1.2932587382 Pt 7.8933739878 5.8697778901 1.9155085330 Pt 7.9374196244 3.2187717978 4.0997770739 Pt 9.7951966700 4.9353892012 3.4094476104 Pt 10.5331603881 2.4903709089 4.1117698986 Pt 7.0400450226 5.0927599982 5.6745273343 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8564309837 7.7532020059 1.2785243386 Pt 7.8516882168 11.0887588165 0.9854314067 Pt 7.8053420609 7.9992159091 3.5645047810 Pt 9.5094190766 9.6719274344 2.7935094908 Pt 9.1987562038 6.6682468931 5.2062726613 Pt 6.6674629465 9.9131707526 5.0410041483 H 2.7615100347 1.6906594238 10.8151678000 O 1.8352681330 1.9852075655 10.8789332395 H 1.9020910423 2.9571271081 10.9140973068 75 i = 142, E = -8672.2403279594 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6133990940 -1.5178223793 1.2994113855 Pt -1.4162396023 1.7713188185 1.1393388225 Pt 0.3142563301 0.3007095899 2.5420831240 Pt 1.8062673568 2.0225056661 3.8596004049 Pt 1.5247712091 -0.5283413638 4.7965510787 Pt -0.6708858781 1.2833120787 4.7522443002 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 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0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.9084939404 3.8174966313 1.9847109340 Pt 3.8331347037 5.9043193973 1.8871116246 Pt 3.8559607752 3.9673707496 3.7149721582 Pt 5.8431055191 5.9296260098 3.5932895700 Pt 5.4822305440 2.9290303554 5.4184712587 Pt 3.5279413451 6.1058156284 5.4733459038 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8151158761 8.0099477304 1.8911550280 Pt 3.9612775083 11.0420149048 0.9090399450 Pt 3.7885711857 8.1491157367 3.6488696344 Pt 5.0945613148 10.3258892201 3.0822733980 Pt 5.6635023448 7.6102228519 5.5763590307 Pt 2.6643847845 10.4729486965 4.3574607283 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2542964877 -0.6441209116 0.6258365057 Pt 7.9113299026 1.9280404979 1.8237546617 Pt 7.9887204116 -1.8135569521 3.5421718830 Pt 11.1296513153 0.0107656292 3.0438949001 Pt 11.5591251388 -2.4068490409 2.0204662495 Pt 8.7140247360 0.5799736087 3.8081762313 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9541789099 4.0618244489 1.2929523256 Pt 7.8930350973 5.8689165677 1.9151405511 Pt 7.9379998123 3.2159125546 4.1012190095 Pt 9.7943716231 4.9342516590 3.4096793898 Pt 10.5340689266 2.4898857792 4.1129178094 Pt 7.0392619126 5.0926216325 5.6739706228 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8565482867 7.7529863673 1.2776033630 Pt 7.8517842389 11.0884504977 0.9848949908 Pt 7.8057563251 7.9980125195 3.5642796401 Pt 9.5093682594 9.6720730718 2.7941229586 Pt 9.1984690690 6.6676857129 5.2065720017 Pt 6.6684307540 9.9117501349 5.0411196320 H 2.7614969770 1.6911448855 10.8135570118 O 1.8351938476 1.9859791328 10.8791440247 H 1.9019680586 2.9580180879 10.9148958707 75 i = 143, E = -8672.2403331612 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6140979065 -1.5174670962 1.2983658404 Pt -1.4164072289 1.7709755254 1.1399397801 Pt 0.3142872354 0.2998989341 2.5423614292 Pt 1.8064959254 2.0224270534 3.8604194406 Pt 1.5261757263 -0.5281332493 4.7963117140 Pt -0.6700960410 1.2832333337 4.7520958085 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8076964932 3.8886951178 1.9378776563 Pt -0.5384573641 5.8299338071 1.7918271631 Pt -0.6214788840 3.4159609902 3.1072448821 Pt 1.6394069508 6.0360375376 3.4743252868 Pt 1.8855846669 4.0162833073 5.6088248030 Pt -0.3518592274 5.2414379769 4.9165685119 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9339988380 8.0322490047 1.8533327811 Pt -0.4851421776 8.7865261534 2.3539784040 Pt -2.0107729818 6.9431953522 3.8265199962 Pt 0.3062287853 11.0112833861 3.4175561882 Pt 1.6467286766 8.0463195571 5.2113704860 Pt -0.7201103019 9.0045237112 4.8849026399 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9122128853 -0.7261843040 1.7015736642 Pt 3.7653614924 1.8467616285 1.9654663266 Pt 3.5672413960 -0.7668398032 3.0447988588 Pt 5.9340830747 1.2769221218 3.4350091984 Pt 5.7240724592 -1.0536529382 4.7375473838 Pt 3.8747861602 0.8233594587 5.1920357764 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.9080662513 3.8176000149 1.9840823394 Pt 3.8325578798 5.9045196986 1.8872055916 Pt 3.8558777004 3.9677669993 3.7154808293 Pt 5.8427880443 5.9285988137 3.5932810194 Pt 5.4833241764 2.9286793702 5.4178752759 Pt 3.5265287879 6.1065035203 5.4745466977 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8154528334 8.0094597024 1.8915216683 Pt 3.9613636585 11.0414250697 0.9101242282 Pt 3.7882950983 8.1488699393 3.6489453449 Pt 5.0951241671 10.3257032574 3.0833896601 Pt 5.6631173518 7.6087848374 5.5767670601 Pt 2.6655646715 10.4728712240 4.3583745483 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2541001061 -0.6456545634 0.6251678566 Pt 7.9112602253 1.9279709688 1.8237113026 Pt 7.9888534680 -1.8141862800 3.5427427261 Pt 11.1293522717 0.0114656374 3.0430049308 Pt 11.5589545686 -2.4063246683 2.0227666525 Pt 8.7141848322 0.5803128335 3.8080297763 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9553473553 4.0622337719 1.2920367395 Pt 7.8925356408 5.8679261432 1.9144986186 Pt 7.9379064783 3.2146326289 4.1020396357 Pt 9.7938822955 4.9333740824 3.4085510074 Pt 10.5342501912 2.4898935050 4.1148815525 Pt 7.0393228209 5.0926318932 5.6732727894 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8564864119 7.7532964005 1.2765597755 Pt 7.8520479989 11.0887394051 0.9851190320 Pt 7.8058546765 7.9970070492 3.5639462963 Pt 9.5093424435 9.6719526034 2.7953405104 Pt 9.1990318516 6.6663212065 5.2061433596 Pt 6.6692485498 9.9101971188 5.0415237521 H 2.7613402965 1.6919810404 10.8118899433 O 1.8350238470 1.9861243822 10.8791926178 H 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10.3251149612 3.0841356064 Pt 5.6626709832 7.6074966218 5.5775093773 Pt 2.6667796184 10.4726799658 4.3587469059 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2539570250 -0.6470411203 0.6235648543 Pt 7.9105616052 1.9282973626 1.8236252914 Pt 7.9884635000 -1.8146301956 3.5438218400 Pt 11.1288089870 0.0115457094 3.0418772037 Pt 11.5586741160 -2.4061625316 2.0235334552 Pt 8.7141637894 0.5791569381 3.8075833476 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9558378170 4.0622099571 1.2913083088 Pt 7.8918612187 5.8670578020 1.9141250307 Pt 7.9377918239 3.2124319154 4.1041485673 Pt 9.7930937579 4.9311865075 3.4074935844 Pt 10.5345747328 2.4893740869 4.1176011197 Pt 7.0386651651 5.0921719790 5.6731543011 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8560757407 7.7537571674 1.2762345723 Pt 7.8526985881 11.0886738669 0.9859459584 Pt 7.8066784304 7.9956896356 3.5636518187 Pt 9.5096135337 9.6719691772 2.7963980062 Pt 9.1989187386 6.6641232340 5.2056494535 Pt 6.6699546438 9.9082675902 5.0420178373 H 2.7611728924 1.6933091487 10.8109874703 O 1.8347331197 1.9872778885 10.8800527072 H 1.9010918790 2.9594204646 10.9179770202 75 i = 145, E = -8672.2403384404 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6156092246 -1.5161898155 1.2976341177 Pt -1.4161556829 1.7708888106 1.1397011157 Pt 0.3144027062 0.2995085680 2.5423234877 Pt 1.8072668799 2.0209977387 3.8620648285 Pt 1.5280250906 -0.5293141818 4.7963110434 Pt -0.6697873224 1.2816405732 4.7514540656 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8068297468 3.8880341857 1.9387440306 Pt -0.5382177461 5.8290628686 1.7918268458 Pt -0.6223065440 3.4152806013 3.1080537959 Pt 1.6389397763 6.0357525715 3.4746979843 Pt 1.8848068709 4.0160757320 5.6092231997 Pt -0.3524654784 5.2410601204 4.9168906885 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9343801777 8.0323107917 1.8539489549 Pt -0.4852661043 8.7868376292 2.3530403976 Pt -2.0113678673 6.9421343447 3.8250261804 Pt 0.3087147994 11.0107396870 3.4163559783 Pt 1.6460433176 8.0461476357 5.2106531751 Pt -0.7211147124 9.0036414913 4.8837565222 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9117979843 -0.7269170732 1.6997651498 Pt 3.7647049673 1.8474154797 1.9654185290 Pt 3.5688023900 -0.7662636574 3.0449491083 Pt 5.9327711265 1.2751711045 3.4345098546 Pt 5.7258235058 -1.0551646343 4.7399993893 Pt 3.8762669888 0.8221888903 5.1934737933 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.9075009331 3.8172822943 1.9835557716 Pt 3.8323717813 5.9046424978 1.8874667332 Pt 3.8551679041 3.9681208807 3.7158595076 Pt 5.8427237384 5.9280836133 3.5928685294 Pt 5.4830844985 2.9283285494 5.4167806548 Pt 3.5249773168 6.1064791505 5.4761861019 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8160289818 8.0095076465 1.8913619369 Pt 3.9619234722 11.0405683678 0.9118722419 Pt 3.7891966105 8.1475319488 3.6491509559 Pt 5.0965642196 10.3251291637 3.0849750145 Pt 5.6630098304 7.6065303014 5.5778537532 Pt 2.6672486107 10.4723938839 4.3589474769 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2539207300 -0.6480517551 0.6228409891 Pt 7.9105758371 1.9280643106 1.8240416781 Pt 7.9885158364 -1.8152069428 3.5445700297 Pt 11.1285159271 0.0123316246 3.0413730631 Pt 11.5582083745 -2.4054951653 2.0258287887 Pt 8.7141097461 0.5790854643 3.8073339424 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9559075977 4.0621158959 1.2907845402 Pt 7.8918756177 5.8669755389 1.9140346783 Pt 7.9381777845 3.2120296529 4.1041188580 Pt 9.7934594157 4.9306498574 3.4069178087 Pt 10.5345092419 2.4890511458 4.1193264587 Pt 7.0391255534 5.0917067557 5.6730382304 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8557474428 7.7539770232 1.2758224693 Pt 7.8528979294 11.0887037649 0.9866352754 Pt 7.8071790316 7.9950677553 3.5639204626 Pt 9.5097200503 9.6717680134 2.7971456560 Pt 9.1993981975 6.6628124605 5.2055475312 Pt 6.6703771621 9.9074219295 5.0427552415 H 2.7611052632 1.6939448353 10.8109878834 O 1.8345540018 1.9872183661 10.8801937451 H 1.9004722744 2.9592838764 10.9187687872 75 i = 146, E = -8672.2403394525 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6158914872 -1.5158797889 1.2977228754 Pt -1.4161434909 1.7709510709 1.1394240912 Pt 0.3142625719 0.2994916513 2.5422902205 Pt 1.8070156908 2.0206002654 3.8620530319 Pt 1.5280349474 -0.5297804893 4.7962954728 Pt -0.6701806900 1.2810624032 4.7513177518 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8065383520 3.8880057996 1.9387406923 Pt -0.5385098433 5.8292080304 1.7916818498 Pt -0.6229903425 3.4152913598 3.1080981182 Pt 1.6389469668 6.0356360178 3.4746993016 Pt 1.8848608823 4.0157239641 5.6090174276 Pt -0.3524322416 5.2411397746 4.9168486139 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9344212047 8.0322694408 1.8539754003 Pt -0.4851896530 8.7868025859 2.3528589680 Pt -2.0113144502 6.9420990812 3.8249344375 Pt 0.3089145341 11.0106647764 3.4160229962 Pt 1.6463450356 8.0458050794 5.2108624901 Pt -0.7206506398 9.0035390320 4.8836686875 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9118601759 -0.7270627818 1.6995788406 Pt 3.7641920371 1.8470742925 1.9655178245 Pt 3.5691821378 -0.7665596824 3.0452625599 Pt 5.9326510011 1.2748230387 3.4342710917 Pt 5.7261332387 -1.0553107205 4.7406687987 Pt 3.8761855573 0.8219734325 5.1934894860 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.9073600478 3.8171694738 1.9837552476 Pt 3.8323249926 5.9045609877 1.8872440340 Pt 3.8550497985 3.9681517264 3.7156220778 Pt 5.8430060419 5.9281674593 3.5927759808 Pt 5.4827232965 2.9281175291 5.4164945556 Pt 3.5253139945 6.1061921966 5.4762235526 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8161419790 8.0095996675 1.8915175393 Pt 3.9619247044 11.0405417670 0.9121149255 Pt 3.7894720882 8.1472155403 3.6492039977 Pt 5.0968557900 10.3250068777 3.0851097191 Pt 5.6632404212 7.6061812093 5.5780726375 Pt 2.6673640449 10.4720889565 4.3588565509 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2541310434 -0.6487382465 0.6219965930 Pt 7.9103968941 1.9279319312 1.8239418459 Pt 7.9885749786 -1.8156965663 3.5450343044 Pt 11.1283807590 0.0126182733 3.0409351700 Pt 11.5582504007 -2.4053161065 2.0260059663 Pt 8.7139999466 0.5784803467 3.8068791981 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9557799598 4.0619810207 1.2904143524 Pt 7.8921543843 5.8670375964 1.9139792116 Pt 7.9383560514 3.2119706729 4.1040264306 Pt 9.7937928460 4.9302463508 3.4064817544 Pt 10.5342972128 2.4885783064 4.1201127373 Pt 7.0392291440 5.0912058267 5.6727110955 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8556195629 7.7540253010 1.2758272798 Pt 7.8531114152 11.0886407608 0.9869585182 Pt 7.8074057575 7.9950958175 3.5638018583 Pt 9.5100355912 9.6716518134 2.7970926829 Pt 9.1994030641 6.6620444187 5.2053711048 Pt 6.6703433249 9.9070980319 5.0432579245 H 2.7611135152 1.6944389557 10.8115757323 O 1.8344630200 1.9872197927 10.8802707478 H 1.9000835697 2.9592810800 10.9191901385 75 i = 147, E = -8672.2403400956 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6161409476 -1.5157076253 1.2979455718 Pt -1.4161467632 1.7709395542 1.1392801660 Pt 0.3141069697 0.2994239968 2.5422942101 Pt 1.8068158526 2.0202885056 3.8619401792 Pt 1.5280052359 -0.5302200690 4.7964129449 Pt -0.6704336816 1.2808165131 4.7513278593 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8062308863 3.8878632993 1.9387798152 Pt -0.5386124500 5.8294370818 1.7916191575 Pt -0.6235450376 3.4153241637 3.1081356211 Pt 1.6391556201 6.0355423492 3.4746630731 Pt 1.8849875768 4.0154094382 5.6088698953 Pt -0.3523422451 5.2411744017 4.9166930259 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9345022147 8.0321224754 1.8539959109 Pt -0.4852458154 8.7867040520 2.3529206481 Pt -2.0113001790 6.9421340619 3.8250769710 Pt 0.3090690242 11.0104875468 3.4158471516 Pt 1.6467899249 8.0455244996 5.2110855273 Pt -0.7200545032 9.0034370390 4.8837168794 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9118895212 -0.7273598294 1.6994767351 Pt 3.7638361812 1.8468662295 1.9655579451 Pt 3.5693866707 -0.7668394796 3.0454518438 Pt 5.9323461753 1.2744311669 3.4341191231 Pt 5.7262180077 -1.0555508419 4.7411614820 Pt 3.8759659610 0.8216837882 5.1938018261 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.9073911045 3.8171291397 1.9838737053 Pt 3.8324691775 5.9044645057 1.8871317959 Pt 3.8549290233 3.9681123860 3.7153965132 Pt 5.8430821433 5.9283522923 3.5926949890 Pt 5.4823627107 2.9277917690 5.4161477539 Pt 3.5256257547 6.1057693196 5.4762532569 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8162384436 8.0097885851 1.8914633615 Pt 3.9619154791 11.0403626759 0.9125667613 Pt 3.7897156603 8.1469800358 3.6492842557 Pt 5.0971447619 10.3248657042 3.0854292740 Pt 5.6634718021 7.6059649159 5.5783287191 Pt 2.6673370615 10.4717017315 4.3587790794 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2542219271 -0.6488747562 0.6214073911 Pt 7.9100536814 1.9278383173 1.8238266659 Pt 7.9887377127 -1.8160044059 3.5453322767 Pt 11.1280937252 0.0129321966 3.0405107578 Pt 11.5584245226 -2.4051200506 2.0261662272 Pt 8.7137025378 0.5783383988 3.8065932002 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9557917885 4.0618422774 1.2898847582 Pt 7.8923447491 5.8671667718 1.9140134139 Pt 7.9385525306 3.2117535159 4.1037873951 Pt 9.7940904673 4.9298333363 3.4061009272 Pt 10.5339570021 2.4882894724 4.1207515000 Pt 7.0391019309 5.0906627413 5.6724265542 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8555028834 7.7539674519 1.2761358205 Pt 7.8531234991 11.0886471830 0.9871919294 Pt 7.8076912818 7.9951059784 3.5638725369 Pt 9.5101644997 9.6716735896 2.7968012304 Pt 9.1992062091 6.6615217823 5.2051911771 Pt 6.6705267787 9.9069636160 5.0437110916 H 2.7611335266 1.6947450304 10.8119922190 O 1.8343287358 1.9872545918 10.8802624242 H 1.8994311959 2.9593111885 10.9195508049 75 i = 148, E = -8672.2403405197 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6162886016 -1.5157094498 1.2980407935 Pt -1.4160910897 1.7708776251 1.1393985751 Pt 0.3139538802 0.2991773553 2.5423336619 Pt 1.8067002066 2.0201559426 3.8617378192 Pt 1.5279697323 -0.5304578743 4.7964871692 Pt -0.6705854107 1.2808137849 4.7514314931 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8059243958 3.8878139984 1.9388008209 Pt -0.5384317498 5.8295976676 1.7916514760 Pt -0.6242023084 3.4153634047 3.1082386570 Pt 1.6392989895 6.0354866008 3.4747477739 Pt 1.8848420422 4.0152145251 5.6088118409 Pt -0.3522751689 5.2412449602 4.9167157112 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9345403966 8.0320402062 1.8539880141 Pt -0.4852510625 8.7867281074 2.3528361479 Pt -2.0114204471 6.9420870315 3.8251598717 Pt 0.3091996593 11.0103500443 3.4158930226 Pt 1.6470375009 8.0455032113 5.2112093647 Pt -0.7198072421 9.0033600923 4.8837476960 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9119306274 -0.7275882472 1.6994181232 Pt 3.7637554261 1.8468143223 1.9655393202 Pt 3.5695404525 -0.7670313861 3.0457206863 Pt 5.9320151480 1.2739121063 3.4340151265 Pt 5.7261662450 -1.0558793394 4.7415619938 Pt 3.8758053065 0.8213425357 5.1941051917 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.9074715743 3.8171939767 1.9838859495 Pt 3.8325255048 5.9044453427 1.8870854601 Pt 3.8547546109 3.9679821543 3.7152009554 Pt 5.8429884594 5.9284686232 3.5925864961 Pt 5.4822373434 2.9274447916 5.4157293909 Pt 3.5255955216 6.1054521998 5.4763173661 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8164275105 8.0098264426 1.8915487309 Pt 3.9619318945 11.0402002353 0.9129568937 Pt 3.7898001015 8.1468765777 3.6493452058 Pt 5.0973506744 10.3247017537 3.0857593701 Pt 5.6633907717 7.6057098416 5.5786210534 Pt 2.6674145928 10.4713923254 4.3587925884 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2543867492 -0.6491256964 0.6209123403 Pt 7.9097196258 1.9277920130 1.8236129595 Pt 7.9888073094 -1.8162124358 3.5455308810 Pt 11.1278115641 0.0131414300 3.0400521033 Pt 11.5585743600 -2.4049125916 2.0261341783 Pt 8.7134027267 0.5782243605 3.8064440161 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9560531178 4.0617686698 1.2892974143 Pt 7.8924890203 5.8672678130 1.9140435945 Pt 7.9386555719 3.2115103983 4.1035964999 Pt 9.7943572132 4.9294985720 3.4056848686 Pt 10.5338336295 2.4880151445 4.1213415703 Pt 7.0389454419 5.0903180897 5.6722134501 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8554113907 7.7538117449 1.2763376780 Pt 7.8532016203 11.0886630190 0.9872343926 Pt 7.8078859123 7.9951789442 3.5639422962 Pt 9.5100722339 9.6716131628 2.7961690925 Pt 9.1991425690 6.6608710845 5.2049902487 Pt 6.6705988578 9.9066613094 5.0440467777 H 2.7611857531 1.6952024580 10.8121741411 O 1.8342212247 1.9871339219 10.8800327041 H 1.8987455734 2.9592206037 10.9199700317 75 i = 149, E = -8672.2403407748 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6163365793 -1.5156616826 1.2981236530 Pt -1.4160860956 1.7708807856 1.1394968054 Pt 0.3136786939 0.2989058075 2.5425118110 Pt 1.8065866390 2.0200636762 3.8614245400 Pt 1.5279467716 -0.5305482444 4.7965150198 Pt -0.6705930908 1.2809746005 4.7515575353 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8057850092 3.8877726868 1.9388266506 Pt -0.5382075833 5.8295824842 1.7917128559 Pt -0.6244487243 3.4154397428 3.1083356095 Pt 1.6393359897 6.0354185086 3.4748193856 Pt 1.8847860332 4.0149913108 5.6087013611 Pt -0.3523480753 5.2411800812 4.9168196984 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9344981334 8.0319413542 1.8540006281 Pt -0.4853452538 8.7867185001 2.3528384150 Pt -2.0114739111 6.9419597405 3.8252946086 Pt 0.3093036182 11.0101930656 3.4159335658 Pt 1.6471388898 8.0455110634 5.2112819800 Pt -0.7197124811 9.0031889705 4.8837149085 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9118885543 -0.7278173622 1.6992138703 Pt 3.7637895217 1.8469124325 1.9654574042 Pt 3.5695484420 -0.7671099882 3.0457214592 Pt 5.9317321392 1.2734781333 3.4338618643 Pt 5.7261090784 -1.0561052587 4.7417270719 Pt 3.8756117018 0.8211293433 5.1942425437 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.9075701158 3.8173646804 1.9837606522 Pt 3.8324410719 5.9044558919 1.8870447401 Pt 3.8548759876 3.9678906331 3.7150643591 Pt 5.8429734666 5.9284425453 3.5926372063 Pt 5.4822971984 2.9269781636 5.4156160623 Pt 3.5255446541 6.1051699869 5.4763448480 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8164240926 8.0097872696 1.8915566099 Pt 3.9618541568 11.0400018992 0.9132925677 Pt 3.7897598856 8.1467884016 3.6493634842 Pt 5.0974275970 10.3245661710 3.0860485583 Pt 5.6631755342 7.6055631135 5.5787565750 Pt 2.6674312041 10.4711936763 4.3588644344 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2543608334 -0.6490311023 0.6207832014 Pt 7.9095579777 1.9276683209 1.8235224699 Pt 7.9887856144 -1.8164015973 3.5454746387 Pt 11.1275474657 0.0133735271 3.0398099897 Pt 11.5586502174 -2.4047950480 2.0263798796 Pt 8.7131324840 0.5782245078 3.8064709401 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9562412540 4.0617890190 1.2889703912 Pt 7.8924716936 5.8672464006 1.9139857134 Pt 7.9385180802 3.2113340931 4.1034123697 Pt 9.7944048143 4.9292192039 3.4054532201 Pt 10.5335776594 2.4879411237 4.1217833908 Pt 7.0387113052 5.0900339410 5.6720095119 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8554760730 7.7536429415 1.2764647892 Pt 7.8532073596 11.0887216832 0.9871260378 Pt 7.8079146782 7.9951203171 3.5639049571 Pt 9.5099122879 9.6715436468 2.7957600528 Pt 9.1989432056 6.6606798501 5.2047178236 Pt 6.6708018140 9.9064335797 5.0441955127 H 2.7613553069 1.6955580884 10.8121360163 O 1.8342451490 1.9870813400 10.8799315898 H 1.8981317565 2.9592118973 10.9202317416 75 i = 150, E = -8672.2403409610 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6163102486 -1.5156674823 1.2980536435 Pt -1.4160161783 1.7709096359 1.1395874965 Pt 0.3135349486 0.2986851151 2.5426320796 Pt 1.8066211240 2.0199590506 3.8611804888 Pt 1.5278826162 -0.5305564298 4.7965644865 Pt -0.6706175698 1.2811405179 4.7516709950 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8057765525 3.8877439049 1.9388449118 Pt -0.5380359428 5.8295114361 1.7918269919 Pt -0.6245412950 3.4154965632 3.1084419393 Pt 1.6392904228 6.0353812410 3.4748764164 Pt 1.8846649524 4.0147747339 5.6086213211 Pt -0.3523480751 5.2411585760 4.9169144179 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9345046454 8.0319402671 1.8540020924 Pt -0.4853048301 8.7867083744 2.3528751220 Pt -2.0115104176 6.9418354315 3.8253316452 Pt 0.3093142904 11.0101242928 3.4160539842 Pt 1.6472448866 8.0455014815 5.2112938252 Pt -0.7196986301 9.0030228459 4.8837484447 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9117817370 -0.7279377415 1.6990583096 Pt 3.7639448621 1.8470072479 1.9653846057 Pt 3.5695052744 -0.7672103923 3.0457538488 Pt 5.9316158190 1.2731670480 3.4338711054 Pt 5.7259806678 -1.0563566698 4.7418376138 Pt 3.8755432094 0.8209102378 5.1942516569 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.9076619987 3.8174405130 1.9836387653 Pt 3.8324276610 5.9044073904 1.8871085234 Pt 3.8549540182 3.9676553568 3.7150516220 Pt 5.8428496888 5.9283956369 3.5926518458 Pt 5.4823196239 2.9267271722 5.4155784674 Pt 3.5253701181 6.1048704738 5.4762868138 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8164537658 8.0097009681 1.8915031621 Pt 3.9618160683 11.0399172786 0.9134017639 Pt 3.7898008670 8.1467239205 3.6493477344 Pt 5.0975289111 10.3245018080 3.0861427864 Pt 5.6628962076 7.6054744772 5.5788598028 Pt 2.6674862389 10.4710846201 4.3588771533 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2543979526 -0.6490185919 0.6208118611 Pt 7.9094840513 1.9276182559 1.8235154239 Pt 7.9886161411 -1.8164199261 3.5454059330 Pt 11.1273808497 0.0135346371 3.0397621457 Pt 11.5586253678 -2.4046756724 2.0266054473 Pt 8.7129824654 0.5782888677 3.8066347014 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9563358009 4.0617998901 1.2888402833 Pt 7.8923930894 5.8672498567 1.9139480546 Pt 7.9382363292 3.2113070248 4.1033487050 Pt 9.7943016966 4.9291265811 3.4052526529 Pt 10.5334873983 2.4880253243 4.1219958743 Pt 7.0385477638 5.0899855288 5.6721018442 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8555899601 7.7535989316 1.2764953729 Pt 7.8531912857 11.0887928145 0.9870212802 Pt 7.8079020852 7.9950714167 3.5639125237 Pt 9.5097563362 9.6714533805 2.7954848844 Pt 9.1988951282 6.6604679654 5.2045939937 Pt 6.6708501247 9.9062366303 5.0442617562 H 2.7615929498 1.6959970225 10.8121499108 O 1.8343045224 1.9869771745 10.8798571965 H 1.8976647478 2.9591500122 10.9204733478 75 i = 151, E = -8672.2403224129 Pt -0.0014044828 -0.0014044832 0.0022141928 Pt 1.9496546422 1.9496546423 0.0021732560 Pt 1.6163102486 -1.5156674823 1.2980536435 Pt -1.4160161783 1.7709096359 1.1395874965 Pt 0.3135349486 0.2986851151 2.5426320796 Pt 1.8066211240 2.0199590506 3.8611804888 Pt 1.5278826162 -0.5305564298 4.7965644865 Pt -0.6706175698 1.2811405179 4.7516709950 Pt -0.0014144122 3.9002469704 0.0022084754 Pt 1.9496183253 5.8509612563 0.0022761517 Pt 1.8057765525 3.8877439049 1.9388449118 Pt -0.5380359428 5.8295114361 1.7918269919 Pt -0.6245412950 3.4154965632 3.1084419393 Pt 1.6392904228 6.0353812410 3.4748764164 Pt 1.8846649524 4.0147747339 5.6086213211 Pt -0.3523480751 5.2411585760 4.9169144179 Pt -0.0014379040 7.8015457720 0.0022867852 Pt 1.9496279152 9.7526245070 0.0022686802 Pt 1.9345046454 8.0319402671 1.8540020924 Pt -0.4853048301 8.7867083744 2.3528751220 Pt -2.0115104176 6.9418354315 3.8253316452 Pt 0.3093142904 11.0101242928 3.4160539842 Pt 1.6472448866 8.0455014815 5.2112938252 Pt -0.7196986301 9.0030228459 4.8837484447 Pt 3.9002469700 -0.0014144126 0.0022084754 Pt 5.8509612559 1.9496183253 0.0022761517 Pt 5.9117817370 -0.7279377415 1.6990583096 Pt 3.7639448621 1.8470072479 1.9653846057 Pt 3.5695052744 -0.7672103923 3.0457538488 Pt 5.9316158190 1.2731670480 3.4338711054 Pt 5.7259806678 -1.0563566698 4.7418376138 Pt 3.8755432094 0.8209102378 5.1942516569 Pt 3.9002529621 3.9002529625 0.0022025703 Pt 5.8509603368 5.8509603372 0.0023074108 Pt 5.9076619987 3.8174405130 1.9836387653 Pt 3.8324276610 5.9044073904 1.8871085234 Pt 3.8549540182 3.9676553568 3.7150516220 Pt 5.8428496888 5.9283956369 3.5926518458 Pt 5.4823196239 2.9267271722 5.4155784674 Pt 3.5253701181 6.1048704738 5.4762868138 Pt 3.9002289727 7.8015521922 0.0022796522 Pt 5.8509400359 9.7525911076 0.0023058615 Pt 5.8164537658 8.0097009681 1.8915031621 Pt 3.9618160683 11.0399172786 0.9134017639 Pt 3.7898008670 8.1467239205 3.6493477344 Pt 5.0975289111 10.3245018080 3.0861427864 Pt 5.6628962076 7.6054744772 5.5788598028 Pt 2.6674862389 10.4710846201 4.3588771533 Pt 7.8015457720 -0.0014379043 0.0022867852 Pt 9.7526245073 1.9496279152 0.0022686802 Pt 10.2543979526 -0.6490185919 0.6208118611 Pt 7.9094840513 1.9276182559 1.8235154239 Pt 7.9886161411 -1.8164199261 3.5454059330 Pt 11.1273808497 0.0135346371 3.0397621457 Pt 11.5586253678 -2.4046756724 2.0266054473 Pt 8.7129824654 0.5782888677 3.8066347014 Pt 7.8015521922 3.9002289731 0.0022796522 Pt 9.7525911080 5.8509400362 0.0023058614 Pt 10.9563358009 4.0617998901 1.2888402833 Pt 7.8923930894 5.8672498567 1.9139480546 Pt 7.9382363292 3.2113070248 4.1033487050 Pt 9.7943016966 4.9291265811 3.4052526529 Pt 10.5334873983 2.4880253243 4.1219958743 Pt 7.0385477638 5.0899855288 5.6721018442 Pt 7.8015653534 7.8015653534 0.0022799511 Pt 9.7526212472 9.7526212468 0.0023016444 Pt 10.8555899601 7.7535989316 1.2764953729 Pt 7.8531912857 11.0887928145 0.9870212802 Pt 7.8079020852 7.9950714167 3.5639125237 Pt 9.5097563362 9.6714533805 2.7954848844 Pt 9.1988951282 6.6604679654 5.2045939937 Pt 6.6708501247 9.9062366303 5.0442617562 H 2.7615929498 1.6959970225 10.8121499108 O 1.8343045224 1.9869771745 10.8798571965 H 1.8976647478 2.9591500122 10.9204733478