     368
 i =      193, E =     -1977.6586848973
 Al         1.6773496429        7.9258996403        0.0000130752
 Al         8.3894307383        7.9259192143        0.0000164490
 Al         5.0346783236       23.8492961125        0.0000175050
 Al        11.7467601166       23.8493278265        0.0000042159
 Al         5.0346762635        7.9257916031        0.0000080263
 Al        11.7467659431        7.9257921433        0.0000241273
 Al         1.6773474217       23.8491715983        0.0000177605
 Al         8.3894450379       23.8492117853        0.0000069876
  C        -0.0000271252       12.9884270479        7.4490325225
  C         6.7120721278       12.9884293580        7.4490559527
  C         3.3559751272       28.8767434581        7.4501225107
  C        10.0680946380       28.8767373120        7.4501574954
  C        -0.0000367059       18.7866709895        7.4490595139
  C         6.7120729085       18.7866629662        7.4490419067
  C         3.3559903267        2.8983800993        7.4501597346
  C        10.0680893757        2.8983651103        7.4501237447
  C        -0.0000239325       12.9884479762        9.7120309767
  C         6.7120687501       12.9884585955        9.7120513444
  C         3.3559737569       28.8767448013        9.7109088402
  C        10.0680958993       28.8767751144        9.7109407273
  C        -0.0000401251       18.7866295367        9.7120256979
  C         6.7120763558       18.7866531986        9.7120031426
  C         3.3559923187        2.8983402978        9.7109210843
  C        10.0680881451        2.8983752217        9.7108913722
  C        -0.0000554126       13.4460770352        6.1230293548
  C         6.7120329317       13.4461044970        6.1230380686
  C         3.3559679298       29.3361961660        6.1261076962
  C        10.0680511885       29.3362228367        6.1261219931
  C        -0.0000606132       18.3289967443        6.1230439780
  C         6.7120361445       18.3290136310        6.1230467252
  C         3.3559760383        2.4389001813        6.1261192027
  C        10.0680631495        2.4389123338        6.1261018687
  C        -0.0000566895       13.4460976191       11.0380465491
  C         6.7120346290       13.4460932007       11.0380688392
  C         3.3559709689       29.3362113753       11.0349374258
  C        10.0680491383       29.3362214386       11.0349684842
  C        -0.0000592034       18.3289772758       11.0380403255
  C         6.7120345684       18.3289956693       11.0380103595
  C         3.3559734116        2.4388883788       11.0349532008
  C        10.0680659582        2.4389018594       11.0349261089
  C        -0.0000259387       14.7979813677        5.7207690461
  C         6.7120770322       14.7980040248        5.7207788941
  C         3.3559862291       30.6863758064        5.7223622976
  C        10.0681009186       30.6864005108        5.7223528353
  C        -0.0000311690       16.9771109278        5.7207480198
  C         6.7120763309       16.9771272159        5.7207903005
  C         3.3559959059        1.0887091804        5.7223603197
  C        10.0681022286        1.0887239843        5.7223868477
  C        -0.0000227593       14.7979962292       11.4403310022
  C         6.7120736288       14.7979801390       11.4403483536
  C         3.3559850738       30.6863951372       11.4387023640
  C        10.0681028882       30.6863821642       11.4387211719
  C        -0.0000350661       16.9771120351       11.4403382964
  C         6.7120795847       16.9771121683       11.4403487883
  C         3.3559979294        1.0887192776       11.4386907427
  C        10.0681002697        1.0887083662       11.4386954072
  C        -0.0000026512       15.2081943017        4.3207661280
  C         6.7120977636       15.2082073563        4.3207614389
  C         3.3560418984       31.0957281985        4.3220266231
  C        10.0681201215       31.0957539896        4.3220055567
  C         0.0000024547       16.5669101712        4.3207660320
  C         6.7120906669       16.5669173403        4.3207881663
  C         3.3560359120        0.6793672236        4.3220076146
  C        10.0681410013        0.6793874785        4.3220364489
  C        -0.0000019623       15.2082248203       12.8403122342
  C         6.7120979455       15.2081683643       12.8402931795
  C         3.3560437055       31.0957678002       12.8390506243
  C        10.0681204215       31.0957145768       12.8390219156
  C         0.0000019196       16.5669338237       12.8402847154
  C         6.7120910766       16.5668873472       12.8403137239
  C         3.3560350710        0.6794004184       12.8390213267
  C        10.0681415855        0.6793500856       12.8390538225
  C        -0.0000624309       12.4024402003        5.0483743785
  C         6.7120419037       12.4024276715        5.0483496294
  C         3.3559720308       28.2945096338        5.0538343762
  C        10.0679842803       28.2944887472        5.0538042459
  C        -0.0000501915       19.3726122916        5.0483905582
  C         6.7120240948       19.3726245969        5.0483943760
  C         3.3559380593        3.4805796320        5.0538136047
  C        10.0680321701        3.4805612954        5.0538394277
  C        -0.0000625399       12.4024207099       12.1127137037
  C         6.7120422014       12.4024778796       12.1126641352
  C         3.3559766959       28.2944740864       12.1072609410
  C        10.0679797808       28.2945617687       12.1071996665
  C        -0.0000490983       19.3725914108       12.1126455372
  C         6.7120236015       19.3726324125       12.1126856762
  C         3.3559319467        3.4805388896       12.1072109213
  C        10.0680394618        3.4806085541       12.1072594279
  C         5.5037532261       11.9147634360        4.5262034821
  C        12.2158535486       11.9147783238        4.5261996485
  C         2.1464565152       27.8088935021        4.5342664323
  C         8.8584682873       27.8088751882        4.5342740660
  C         1.2082151242       19.8603254361        4.5262417408
  C         7.9202908447       19.8603153662        4.5262308324
  C         4.5654680898        3.9661803037        4.5342856015
  C        11.2775457264        3.9661701065        4.5342896200
  C         1.2082137263       11.9147903727       12.6348795251
  C         7.9203060146       11.9148036595       12.6348505642
  C         4.5654933328       27.8089161368       12.6267948467
  C        11.2774981098       27.8089451263       12.6267585762
  C         5.5037669678       19.8602833057       12.6348715151
  C        12.2158733443       19.8602921942       12.6348337702
  C         2.1464260483        3.9661687373       12.6267767391
  C         8.8585129583        3.9661843439       12.6268064911
  C         1.2082056921       19.8602945142       12.6348186603
  C         7.9202954255       19.8602837983       12.6348574266
  C         4.5654517356        3.9661487385       12.6267616452
  C        11.2775652198        3.9661669377       12.6267949739
  C         5.5037695883       11.9148079763       12.6348577547
  C        12.2158531346       11.9147952163       12.6348864898
  C         2.1464509434       27.8088963444       12.6268124162
  C         8.8584873384       27.8089240162       12.6267663390
  C         5.5037678040       19.8603177076        4.5262175280
  C        12.2158644333       19.8603214673        4.5262321005
  C         2.1464164873        3.9662000714        4.5342734298
  C         8.8585207218        3.9661877913        4.5342817670
  C         1.2082109803       11.9147756880        4.5262105818
  C         7.9203255580       11.9147569539        4.5262098779
  C         4.5654830562       27.8089135107        4.5342880095
  C        11.2775247034       27.8088958634        4.5342868234
  C         5.5020970414       10.9810585957        3.4922930406
  C        12.2141843154       10.9810548367        3.4922923555
  C         2.1447051211       26.8793057395        3.4980653705
  C         8.8567369944       26.8793180299        3.4980800199
  C         1.2098866475       20.7940318311        3.4923114395
  C         7.9219849508       20.7940387653        3.4923099229
  C         4.5672443506        4.8957173126        3.4980680581
  C        11.2793353050        4.8957206386        3.4980660886
  C         1.2098904509       10.9810641627       13.6687591416
  C         7.9219893439       10.9810591728       13.6687498498
  C         4.5672740986       26.8793492154       13.6629632269
  C        11.2793034268       26.8793535140       13.6629621353
  C         5.5020857780       20.7940230149       13.6687457298
  C        12.2141837021       20.7940268401       13.6687518988
  C         2.1446656203        4.8957380754       13.6629885681
  C         8.8567637036        4.8957370271       13.6629943410
  C         1.2098995003       20.7940195455       13.6687347431
  C         7.9219891870       20.7940243264       13.6687414420
  C         4.5672550487        4.8957084178       13.6629740661
  C        11.2793388390        4.8957118760       13.6629858822
  C         5.5020820643       10.9810596101       13.6687534248
  C        12.2141805509       10.9810647880       13.6687628291
  C         2.1447067290       26.8793172509       13.6629889300
  C         8.8567156781       26.8793280121       13.6629563267
  C         5.5020864429       20.7940404669        3.4923050637
  C        12.2141932797       20.7940364171        3.4923003882
  C         2.1446798890        4.8957463600        3.4980553089
  C         8.8567538878        4.8957460931        3.4980623663
  C         1.2098880975       10.9810571443        3.4923007947
  C         7.9219765603       10.9810556723        3.4922949000
  C         4.5672746668       26.8793385121        3.4980940645
  C        11.2792926906       26.8793433456        3.4980799373
  C        -0.0000549489       10.5137186109        2.9590327774
  C         6.7120387229       10.5137232213        2.9590318093
  C         3.3560059020       26.4180997611        2.9640751819
  C        10.0680150293       26.4181192618        2.9640751564
  C        -0.0000479441       21.2613510071        2.9590126401
  C         6.7120356555       21.2613541358        2.9590255730
  C         3.3559706322        5.3569501012        2.9640811210
  C        10.0680500764        5.3569627484        2.9640862156
  C        -0.0000583294       10.5137410291       14.2020057047
  C         6.7120394805       10.5137269005       14.2020044824
  C         3.3560064005       26.4181350794       14.1969701166
  C        10.0680075828       26.4181252857       14.1969616995
  C        -0.0000431991       21.2613377847       14.2020233848
  C         6.7120356295       21.2613263231       14.2020118387
  C         3.3559682267        5.3569403313       14.1969600216
  C        10.0680587465        5.3569267259       14.1969626473
  C        -0.0000471965        9.5462418176        1.8199585364
  C         6.7120276137        9.5462548913        1.8199738712
  C         3.3559877648       25.4622167500        1.8197468025
  C        10.0680593112       25.4622381982        1.8197718198
  C        -0.0000613473       22.2288537106        1.8199298589
  C         6.7120510064       22.2288186140        1.8199437393
  C         3.3560011462        6.3128373998        1.8197668925
  C        10.0680504843        6.3128563858        1.8197505167
  C        -0.0000445962        9.5462712314       15.3410581865
  C         6.7120222650        9.5462274491       15.3411008738
  C         3.3559844954       25.4622604972       15.3412567942
  C        10.0680547649       25.4622056598       15.3413049385
  C        -0.0000630861       22.2288566684       15.3411181403
  C         6.7120567193       22.2287847356       15.3410805752
  C         3.3560025999        6.3128540858       15.3412905109
  C        10.0680560752        6.3128078729       15.3412526295
  C         0.0000047914       11.6245813362        7.8934771696
  C         6.7121007636       11.6245655237        7.8934994511
  C         3.3560360002       27.5126139399        7.8934803712
  C        10.0681212220       27.5125896411        7.8935252863
  C         0.0000031868       20.1505426572        7.8934794647
  C         6.7120964690       20.1505158341        7.8934800346
  C         3.3560373080        4.2625071345        7.8935087813
  C        10.0681304673        4.2624764959        7.8934735833
  C         0.0000053880       11.6245781424        9.2676032473
  C         6.7121004254       11.6245802552        9.2676555823
  C         3.3560369862       27.5125996865        9.2675469683
  C        10.0681209322       27.5126192861        9.2676195965
  C         0.0000026226       20.1505234383        9.2676463437
  C         6.7120967090       20.1505333635        9.2676139178
  C         3.3560362381        4.2624776789        9.2676121812
  C        10.0681312309        4.2625020425        9.2675506460
  H         0.0000268668       14.5396130053        3.4657088526
  H         6.7121217670       14.5395784659        3.4657186197
  H         3.3560559306       30.4271842005        3.4669283611
  H        10.0681565574       30.4271333397        3.4669387294
  H         0.0000210508       17.2355294258        3.4657519858
  H         6.7121207927       17.2355033139        3.4657467249
  H         3.3560691273        1.3479668837        3.4669235343
  H        10.0681647653        1.3479164205        3.4669217999
  H         0.0000303739       14.5396288590       13.6953488056
  H         6.7121218435       14.5396452337       13.6953441142
  H         3.3560591755       30.4271589894       13.6941267879
  H        10.0681604469       30.4272078214       13.6941158659
  H         0.0000186073       17.2354843578       13.6953073905
  H         6.7121221664       17.2355005731       13.6953222061
  H         3.3560673807        1.3479102980       13.6941341155
  H        10.0681621816        1.3479542300       13.6941414196
  H         4.5631338405       12.2872697083        4.9326555960
  H        11.2752386437       12.2872672511        4.9326251025
  H         1.2070102387       28.1803232123        4.9441280856
  H         7.9190939417       28.1803434271        4.9441861369
  H         2.1488175085       19.4878177716        4.9326536595
  H         8.8609203255       19.4878193559        4.9326468280
  H         5.5048802000        3.5947515857        4.9442005038
  H        12.2169548171        3.5947644274        4.9441723574
  H         2.1488260278       12.2872768955       12.2284377374
  H         8.8609205953       12.2872573482       12.2284353457
  H         5.5048536508       28.1803789252       12.2168706615
  H        12.2169362854       28.1803450988       12.2169043199
  H         4.5631753835       19.4877733567       12.2284402950
  H        11.2752356826       19.4878083918       12.2284466699
  H         1.2070195937        3.5947732948       12.2168865904
  H         7.9191056574        3.5947527237       12.2168843852
  H         2.1488080978       19.4878136252       12.2284214723
  H         8.8609135268       19.4877810983       12.2284270025
  H         5.5048672348        3.5947581236       12.2168715779
  H        12.2169512183        3.5947335099       12.2168647199
  H         4.5631387280       12.2872657478       12.2284463105
  H        11.2752482132       12.2872914345       12.2284410007
  H         1.2070198137       28.1803417929       12.2169149156
  H         7.9191045888       28.1803417178       12.2168930936
  H         4.5631638440       19.4878168943        4.9326332741
  H        11.2752284389       19.4878087716        4.9326390040
  H         1.2070098621        3.5947718975        4.9441842346
  H         7.9190957957        3.5947778950        4.9441657076
  H         2.1488321267       12.2872568180        4.9326361245
  H         8.8609282029       12.2872573787        4.9326647282
  H         5.5048593649       28.1803572709        4.9441754293
  H        12.2169506790       28.1803503405        4.9441880326
  H         4.5679326167       10.6042446536        3.0785061012
  H        11.2800150018       10.6042239874        3.0784825650
  H         1.2119026849       26.5016327146        3.0820258512
  H         7.9239518670       26.5016968884        3.0821011542
  H         2.1440625707       21.1708461142        3.0785091756
  H         8.8561781012       21.1708533301        3.0784942460
  H         5.5000322526        5.2733781306        3.0820539022
  H        12.2121292496        5.2734095240        3.0820319740
  H         2.1440487872       10.6042447801       14.0825564724
  H         8.8561700926       10.6042172609       14.0825807753
  H         5.5000509193       26.5017359610       14.0789586455
  H        12.2121082322       26.5016642894       14.0790395495
  H         4.5679207912       21.1708236735       14.0825640967
  H        11.2799995025       21.1708732364       14.0826013153
  H         1.2118596095        5.2734185305       14.0790215273
  H         7.9239843016        5.2733815128       14.0790030316
  H         2.1440831277       21.1708541957       14.0825618464
  H         8.8561675555       21.1708249705       14.0825531301
  H         5.5000529509        5.2733962779       14.0790233653
  H        12.2121158326        5.2733478882       14.0789948450
  H         4.5679056018       10.6042071684       14.0826011190
  H        11.2800215323       10.6042473347       14.0825642037
  H         1.2119242370       26.5016794782       14.0790107983
  H         7.9239024308       26.5016634157       14.0789861206
  H         4.5679113648       21.1708565248        3.0784838523
  H        11.2800084537       21.1708591993        3.0784806668
  H         1.2118895811        5.2734033758        3.0820549375
  H         7.9239463948        5.2734358563        3.0820396565
  H         2.1440634081       10.6042269614        3.0784981533
  H         8.8561402501       10.6042513652        3.0785250771
  H         5.5000688471       26.5016892405        3.0820816755
  H        12.2120784202       26.5017035146        3.0820634283
  H         3.3560841992        9.6879539926       -0.0000396253
  H        10.0681778224        9.6879630861       -0.0000180734
  H         0.0000530161       25.6128711943       -0.0000361980
  H         6.7121183458       25.6128825106       -0.0000104643
  H         3.3560661164       22.0871445436       -0.0000154052
  H        10.0681811869       22.0871802447       -0.0000396419
  H         0.0000381100        6.1622268513       -0.0000056565
  H         6.7121272959        6.1622386892       -0.0000425871
  H         0.0000353645       10.7653010144        7.2314082324
  H         6.7121333229       10.7652775830        7.2313725361
  H         3.3560585753       26.6538155371        7.2308311949
  H        10.0681580705       26.6537943166        7.2307900256
  H         0.0000340823       21.0098285482        7.2313519905
  H         6.7121315830       21.0098025386        7.2314232166
  H         3.3560660818        5.1213045487        7.2308075045
  H        10.0681624352        5.1212827038        7.2308614317
  H         0.0000378687       10.7652889704        9.9297030982
  H         6.7121320345       10.7652507500        9.9297039115
  H         3.3560611606       26.6538120255        9.9302615410
  H        10.0681609063       26.6537808580        9.9302556071
  H         0.0000307393       21.0098517827        9.9297139317
  H         6.7121320866       21.0098088998        9.9297397207
  H         3.3560644028        5.1213212880        9.9302238608
  H        10.0681602028        5.1212898409        9.9302484425
  N        -0.0000190559       13.7754547290        8.5805124246
  N         6.7120743552       13.7754637444        8.5805579709
  N         3.3559920108       29.6631520509        8.5804967235
  N        10.0680637348       29.6631680077        8.5805560692
  N        -0.0000177899       17.9996195460        8.5805351370
  N         6.7120677701       17.9996287041        8.5805040777
  N         3.3559889527        2.1119463206        8.5805393321
  N        10.0680806394        2.1119607162        8.5804877036
  N        -0.0000304178       15.8875557801        6.5568711160
  N         6.7120573296       15.8875834630        6.5568783089
  N         3.3560078935        0.0000010471        6.5583757361
  N        10.0680857739        0.0000397866        6.5583760042
  N        -0.0000308368       15.8875847943       10.6042404699
  N         6.7120571496       15.8875245202       10.6042391054
  N         3.3560078013        0.0000447569       10.6027000168
  N        10.0680858196       -0.0000231476       10.6027020976
  O         1.1339719228        9.1776053465        1.3699660190
  O         7.8460672334        9.1776169957        1.3699707274
  O         4.4909039677       25.0995720106        1.3680202656
  O        11.2029221170       25.0995928894        1.3681023849
  O         5.5780697546       22.5974693843        1.3699636412
  O        12.2901723361       22.5974885144        1.3699811337
  O         2.2211458071        6.6754694981        1.3679949552
  O         8.9332413562        6.6754779603        1.3679848668
  O         5.5780863278        9.1776094987       15.7910667171
  O        12.2901804383        9.1776031720       15.7910743780
  O         2.2211889174       25.0996168621       15.7929915196
  O         8.9331775402       25.0995889621       15.7930897942
  O         1.1339981372       22.5974846608       15.7911130685
  O         7.8460477060       22.5974283781       15.7910665247
  O         4.4908500243        6.6754761359       15.7929944279
  O        11.2029532827        6.6754763558       15.7929984793
  O         5.5780834551       22.5974648412       15.7910885703
  O        12.2901810778       22.5974746740       15.7910646177
  O         2.2211297624        6.6754790282       15.7930628910
  O         8.9332702881        6.6754437108       15.7930329546
  O         1.1339519990        9.1776320245       15.7910651212
  O         7.8460868126        9.1776015044       15.7910973275
  O         4.4908877646       25.0995884221       15.7930121302
  O        11.2029332055       25.0995868000       15.7929475519
  O         1.1339922739       22.5974746294        1.3699509922
  O         7.8460673733       22.5974573285        1.3699712757
  O         4.4908424142        6.6754828530        1.3680475156
  O        11.2029594144        6.6754961621        1.3680355828
  O         5.5780995436        9.1776032921        1.3699872082
  O        12.2901713249        9.1775966570        1.3699732290
  O         2.2211696300       25.0995899788        1.3680294334
  O         8.9332079426       25.0996047317        1.3679742718
  O         3.3560517281        8.7181423229       -0.0000231843
  O        10.0681493256        8.7181358546       -0.0000168988
  O        -0.0000348474       24.6429757179        0.0000005282
  O         6.7120501334       24.6429568928        0.0000025797
  O         3.3560685447       23.0569682150       -0.0000170743
  O        10.0681470378       23.0569807632       -0.0000234524
  O        -0.0000344680        7.1321479388       -0.0000002724
  O         6.7120616910        7.1321355499       -0.0000011036
  H        -0.0000746661       16.9752204969        8.5805148170
  H         6.7120241702       16.9752292096        8.5804813489
  H        -0.0000678211       14.7998503924        8.5805088734
  H         6.7120271034       14.7998569869        8.5805058075
  H         3.3559368552       30.6875831752        8.5805046337
  H        10.0680386372       30.6875999617        8.5805090287
  H         3.3559485153        1.0875258225        8.5805174675
  H        10.0680453797        1.0875397105        8.5804946056
