     103
 i =      111, E =      -962.9034539976
 Al        -2.5599550656        1.4230396283        3.9094940810
 Al         2.4048995036       -1.2641766476        2.3735753628
 Al         0.0290615552       -0.0039153261        2.0278838240
 Al        -2.3999948775        1.3966470809        0.2131649529
 Al         2.3861868499       -1.3740972637       -0.2295349703
 Al        -0.0257812679        0.0166393131       -2.1294704163
 Al        -2.4230785168        1.3996811368       -2.4085843733
 Al         2.3607360176       -1.3680468668       -3.3733359110
 Al         2.3156705550        1.4420570827        3.9407328942
 Al         7.2151122714       -1.2846326142        2.3216724384
 Al         4.8187984379       -0.0155071722        1.9837883732
 Al         2.3787107148        1.3992299162        0.2236756196
 Al         7.1683284352       -1.3832223110       -0.2547279337
 Al         4.7594098789        0.0155768245       -2.1305495148
 Al         2.3656860479        1.3969736500       -2.4040086436
 Al         7.1468223199       -1.3617670732       -3.3963552339
 Al        -4.9671692065        5.6001522021        3.9265334591
 Al         0.0259924535        2.8751449010        2.3855954162
 Al        -2.3634824895        4.1226821355        1.9985837304
 Al        -4.7970741203        5.5484034054        0.2209128259
 Al        -0.0085741558        2.7632292955       -0.2245214613
 Al        -2.4199052954        4.1622049360       -2.1285842545
 Al        -4.8163576818        5.5460692323       -2.4057754780
 Al        -0.0343229953        2.7808273936       -3.3818292688
 Al        -0.1105943801        5.6191021554        3.8799616934
 Al         4.8212301129        2.8626935789        2.3377392213
 Al         2.4315319121        4.1178541259        2.0376592599
 Al        -0.0134302410        5.5337442068        0.2231908170
 Al         4.7765704213        2.7655262461       -0.2491149227
 Al         2.3655890692        4.1611959043       -2.1302684363
 Al        -0.0259832666        5.5437682357       -2.4036489068
 Al         4.7521815855        2.7845705511       -3.3882405587
  O        -0.8006257300       -1.2328375494        3.1910884399
  O        -0.7691910663        1.4429064865        3.3748820208
  O         1.4883830137        0.0664867986        3.2023285369
  O        -1.6248353627       -0.0648399029        1.0479288424
  O         0.7179649787        1.5157275076        1.1018498214
  O         0.9419479140       -1.3848070833        1.1141239766
  O         1.6304880263        0.0915889179       -1.1163261784
  O        -0.7595551364       -1.4615733013       -1.1181276794
  O        -0.9258582226        1.4058665784       -1.1250853728
  O         0.7779295140        1.2979048457       -3.2762160187
  O         0.6696972935       -1.3196824531       -3.2826029294
  O        -1.5455078589        0.0789175363       -3.2813886509
  O         3.9875171907       -1.2317270229        3.1934893905
  O         4.0694329560        1.3854220754        3.2911093125
  O         6.2921449387        0.0244545326        3.1317726113
  O         3.1528677656       -0.0680483458        1.0526398254
  O         5.5052495401        1.5129088603        1.0466054987
  O         5.7256276391       -1.3895668421        1.0693377081
  O         6.4224446289        0.0902598326       -1.1244357893
  O         4.0248722829       -1.4633030348       -1.1169785572
  O         3.8516721673        1.3993578505       -1.1267440300
  O         5.5617815755        1.3002017778       -3.2776004084
  O         5.4575158603       -1.3201266313       -3.2824296815
  O         3.2407087434        0.0763172638       -3.2800246969
  O        -3.1900928799        2.9057708824        3.2007478357
  O        -3.1675189706        5.5862894691        3.4371858369
  O        -0.9114795884        4.2115821712        3.2079799726
  O        -4.0219346415        4.0821787596        1.0548383576
  O        -1.6802798329        5.6544201704        1.1006034843
  O        -1.4490400641        2.7606536753        1.1072849477
  O        -0.7576298119        4.2335327575       -1.1103583615
  O        -3.1523358569        2.6877865755       -1.1203532871
  O        -3.3178224433        5.5559805646       -1.1245210279
  O        -1.6132490255        5.4400455629       -3.2754770437
  O        -1.7241044980        2.8267759876       -3.2827078602
  O        -3.9397156002        4.2257203693       -3.2804456088
  O         1.5917587655        2.9004826311        3.2690632303
  O         1.6719030973        5.5387787131        3.3568428250
  O         3.9097118388        4.1638044426        3.1938522176
  O         0.7622152105        4.0829501180        1.1084830843
  O         3.1090880473        5.6495240912        1.0679522525
  O         3.3297519056        2.7590883402        1.1054005409
  O         4.0285911462        4.2362960893       -1.1204074966
  O         1.6309396926        2.6861022987       -1.1113120006
  O         1.4576278711        5.5364792624       -1.1251918301
  O         3.1682833146        5.4465666220       -3.2765912411
  O         3.0622931595        2.8263399478       -3.2816939362
  O         0.8470542856        4.2228319638       -3.2804969426
  O        -2.7520715770        1.1753728918        5.5972271396
  O        -5.3794088141        5.5906533174        5.6070965922
  O        -0.0836680372        5.6717584805        5.6097898796
  O         2.7889740671        1.2440323433        5.5921592264
  O         0.1595902773        2.3401967755        6.0067816149
  O        -1.3567858839        3.3166599895        7.2728028676
  H        -2.4602553927        1.8732403079        6.2074249847
  H        -0.3074513199        1.3324801423        4.2387010994
  H        -2.6245823252        5.2421528111        4.1780331432
  H        -5.4780893360        6.4694000009        6.0076063299
  H         2.1616980597        5.3394991294        4.1914524682
  H        -0.0166590658        6.5870273697        5.9345707062
  H         4.5241695082        1.1606722383        4.1384550315
  H         2.0977853421        1.4975055719        6.2231056740
  H         0.7875062438        4.8607326191        7.9216282504
  H         1.9557684026        3.7927596772        7.1067323232
  H         1.1818521053        3.2738636456        8.6358210297
  H        -1.4860050624        5.3593564506        7.6715608774
  H        -2.8356837240        4.3200173754        8.2336247683
  H        -1.2818264906        4.3092540740        9.1335405535
  C         1.0291470456        3.8197070796        7.6907289506
  C        -0.0581381568        3.1399971453        6.9103265574
  C        -1.7479262917        4.4045431085        8.1438703218
