     103
 i =       81, E =      -962.8931901678
 Al        -2.5395441718        1.4418232766        3.9327524217
 Al         2.3873350780       -1.2554446081        2.3696404705
 Al         0.0166904416        0.0100968103        1.9985178510
 Al        -2.4078583545        1.4025704482        0.2120453896
 Al         2.3812410968       -1.3715308659       -0.2334778008
 Al        -0.0277887191        0.0179566162       -2.1307608201
 Al        -2.4230815021        1.4006012681       -2.4090836784
 Al         2.3582090045       -1.3634815746       -3.3823412119
 Al         2.2490884159        1.4927382540        3.9074049065
 Al         7.1853154387       -1.2501753575        2.3317717492
 Al         4.8009890106        0.0023911961        1.9809007205
 Al         2.3787391082        1.4053854265        0.2126671468
 Al         7.1658918370       -1.3794394168       -0.2520631628
 Al         4.7588654287        0.0176373123       -2.1313932116
 Al         2.3646261537        1.3994674226       -2.4086447387
 Al         7.1455114508       -1.3620177192       -3.3930479761
 Al        -5.0045332902        5.6435038559        3.9215486954
 Al         0.0067843782        2.8970486499        2.3584547296
 Al        -2.3734388761        4.1310161646        2.0049467760
 Al        -4.8012534687        5.5494612298        0.2163076236
 Al        -0.0096566528        2.7699340321       -0.2422802335
 Al        -2.4214652888        4.1645469642       -2.1304146935
 Al        -4.8170139684        5.5472742561       -2.4072109007
 Al        -0.0358676957        2.7823091314       -3.3943507968
 Al        -0.1408872455        5.6510176312        3.8921680025
 Al         4.8051628638        2.8884288880        2.3565543421
 Al         2.4171664897        4.1465891427        2.0045142953
 Al        -0.0229453932        5.5453265893        0.2162226655
 Al         4.7751437980        2.7674314298       -0.2432481231
 Al         2.3650847293        4.1631031635       -2.1316247302
 Al        -0.0287032908        5.5450637327       -2.4072402389
 Al         4.7523384948        2.7850146414       -3.3892647937
  O        -0.8312708272       -1.1810376715        3.1946576658
  O        -0.7597583435        1.4469565498        3.3543860059
  O         1.4777052573        0.0762607198        3.1946012480
  O        -1.6349775223       -0.0614896139        1.0417802962
  O         0.7124414688        1.5158809817        1.0592509029
  O         0.9309703359       -1.3820477026        1.1126022730
  O         1.6302813336        0.0913858493       -1.1209551093
  O        -0.7603789036       -1.4594378348       -1.1193934809
  O        -0.9320111491        1.4075104141       -1.1280766385
  O         0.7752821466        1.2997277697       -3.2779966510
  O         0.6684085493       -1.3189412810       -3.2837297027
  O        -1.5467425947        0.0787604836       -3.2815867724
  O         3.9566572641       -1.1869124601        3.2022120831
  O         4.0273059839        1.4446382848        3.3510332106
  O         6.2629321388        0.0734367978        3.1317705558
  O         3.1469309712       -0.0617927329        1.0493160925
  O         5.4976374144        1.5181791860        1.0497266525
  O         5.7077815027       -1.3855213808        1.0899846818
  O         6.4186103871        0.0915262943       -1.1237397482
  O         4.0236954491       -1.4612697892       -1.1158907071
  O         3.8520197323        1.4022339310       -1.1277310100
  O         5.5618525119        1.3009481403       -3.2777397281
  O         5.4560450931       -1.3191638819       -3.2832425056
  O         3.2409325989        0.0780416304       -3.2811124466
  O        -3.1961316000        2.9097677184        3.2091223459
  O        -3.2118856445        5.5947506604        3.4341214952
  O        -0.9171381404        4.2253748603        3.2026231948
  O        -4.0252940868        4.0854391568        1.0591953479
  O        -1.6860416372        5.6606187753        1.1038180231
  O        -1.4566050666        2.7648126108        1.1075726054
  O        -0.7649280675        4.2408245856       -1.1162242015
  O        -3.1539874931        2.6889248606       -1.1194027406
  O        -3.3212602663        5.5561239632       -1.1235782836
  O        -1.6179052050        5.4452475306       -3.2770208041
  O        -1.7248324084        2.8278435426       -3.2842000142
  O        -3.9401357014        4.2261959549       -3.2802432408
  O         1.5701186420        2.9490860660        3.2051725224
  O         1.6385121588        5.5931736231        3.3516215994
  O         3.8787161278        4.2093006419        3.1850717697
  O         0.7568751478        4.0860421407        1.0553514035
  O         3.1043292326        5.6610640483        1.0593712022
  O         3.3275864204        2.7642738897        1.1063559071
  O         4.0280904404        4.2376632751       -1.1197441038
  O         1.6335218503        2.6881808298       -1.1189781048
  O         1.4572714693        5.5440772662       -1.1284767344
  O         3.1680912359        5.4465508698       -3.2771516033
  O         3.0627919089        2.8275874310       -3.2838021239
  O         0.8457791855        4.2234226822       -3.2815347288
  O        -2.4750074762        1.1079242262        5.5987088483
  O        -5.3815824421        5.6040393904        5.6074790769
  O        -0.0816050632        5.6615313674        5.6090346118
  O         2.3099781699        1.3776253133        5.6141686497
  O        -2.8405737738        2.8223620420        7.7582669593
  O        -1.2317768479        4.2217548787        8.3211112475
  H        -2.4859489571        1.7379455570        6.3488916301
  H        -0.2837337569        1.1551931057        4.1637949069
  H        -2.6818950738        5.2657157273        4.1916980237
  H        -5.5697171791        6.4746355655        5.9979529805
  H         2.1165949280        5.3628345683        4.1843906082
  H         0.0989240986        6.5304916459        6.0018046761
  H         4.5049947279        1.1466777943        4.1568826618
  H         2.3572426489        2.1799615512        6.1544405632
  H        -3.2593659745        5.8465502898        9.0141615877
  H        -4.4193208786        4.4806696072        8.9686139726
  H        -4.0102757718        5.3137947117        7.4750912877
  H        -1.0623378727        5.7674816602        9.7382910930
  H         0.2885131534        5.5387940128        8.5804698887
  H        -1.2226975386        6.3087863655        8.0250015171
  C        -3.5976372441        4.9787262630        8.4406344444
  C        -2.5459580132        3.9419057297        8.1546707362
  C        -0.7997110767        5.5493606900        8.6935164229
