       6
 i =       48, E =       -34.4089142090
  O         0.0006843043        0.6520681547        1.5381811882
  H        -0.7656643584        0.3059091276        1.0524919155
  H         0.7680752511        0.3053363237        1.0547322348
  O         0.0000739420        0.4987158904       25.9353383558
  H        -0.7670891138        0.1673269875       26.4300610118
  H         0.7668647015        0.1666847226       26.4300503557
       6
 i =       49, E =       -34.4089165258
  O         0.0007945012        0.6543051404        1.5386124711
  H        -0.7654308089        0.3069492572        1.0532240661
  H         0.7679523822        0.3062016896        1.0554235919
  O         0.0000927168        0.4967387658       25.9321420231
  H        -0.7670920079        0.1655355444       26.4268492558
  H         0.7668407943        0.1648322886       26.4267661997
       6
 i =       50, E =       -34.4086518055
  O         0.0067438900        0.7685485814        1.5540174386
  H        -0.7545539196        0.3591443815        1.0912732073
  H         0.7631431499        0.3483939475        1.0914741561
  O         0.0010740021        0.3938299634       25.7544008148
  H        -0.7670222707        0.0708285529       26.2489279535
  H         0.7655305039        0.0668760642       26.2455910807
       6
 i =       51, E =       -34.4089204894
  O         0.0019449005        0.6749849152        1.5410879421
  H        -0.7640941675        0.3169115762        1.0605233145
  H         0.7676902941        0.3141973166        1.0626835138
  O         0.0002220833        0.4759907398       25.8986097498
  H        -0.7671049850        0.1465560685       26.3934744187
  H         0.7667120476        0.1453284955       26.3930948617
       6
 i =       52, E =       -34.4089261377
  O         0.0025415464        0.6830845988        1.5361095641
  H        -0.7637292224        0.3214406075        1.0585787145
  H         0.7681280394        0.3179117125        1.0601697930
  O         0.0002388291        0.4670158695       25.8972402117
  H        -0.7669866724        0.1399630043       26.3939394164
  H         0.7666457040        0.1386513175       26.3936891499
       6
 i =       53, E =       -34.4089363920
  O         0.0029397801        0.6929140805        1.5376112806
  H        -0.7633916147        0.3264823613        1.0631224256
  H         0.7681732456        0.3221430731        1.0647583850
  O         0.0002710352        0.4586772675       25.8801568451
  H        -0.7671254354        0.1317337352       26.3766292154
  H         0.7667471560        0.1302171977       26.3763761052
       6
 i =       54, E =       -34.3944187329
  O        -0.0156293231        0.4429140805        1.6426793367
  H        -0.7709768591        0.3344408898        1.1788224337
  H         0.7640925573        0.3255572594        1.1884883106
  O         0.0034589072        0.4104753247       25.8077480020
  H        -0.7142345719        0.0907428881       26.3773516380
  H         0.7105777432        0.0850003691       26.3708800391
       6
 i =       55, E =       -34.4031320826
  O        -0.0172392682        0.3573284474        1.6069851586
  H        -0.7772005408        0.2584360537        1.0936617524
  H         0.7661303021        0.2624539350        1.1024964708
  O         0.0020697699        0.5507351175       26.0577480020
  H        -0.7259627531        0.2230943098       26.6087480342
  H         0.7236231046        0.2214650602       26.6042418442
       6
 i =       56, E =       -34.4055400875
  O        -0.0274391647        0.1524512268        1.6143132751
  H        -0.7840747270        0.1768977347        1.0522002458
  H         0.7635444101        0.1929083592        1.0635198584
  O         0.0020152695        0.6806773939       26.2961413431
  H        -0.7157251459        0.3482585633       26.8587480342
  H         0.7133497195        0.3491561029       26.8533787650
