     103
 i =      123, E =      -962.8960845500
 Al        -2.5347063218        1.4468180717        3.9206652469
 Al         2.3997043186       -1.2532452404        2.3533349953
 Al         0.0197248623        0.0023150148        1.9877516811
 Al        -2.4064112258        1.4025265852        0.2116229101
 Al         2.3825070186       -1.3779735107       -0.2450586698
 Al        -0.0279453767        0.0165787799       -2.1316790057
 Al        -2.4232627099        1.3993074093       -2.4092861973
 Al         2.3580193689       -1.3630072983       -3.3925648302
 Al         2.2616139781        1.4780003798        3.9007890699
 Al         7.1904739612       -1.2560167237        2.3389161811
 Al         4.8083121459       -0.0007092779        1.9765659765
 Al         2.3802708867        1.4040013240        0.2101671364
 Al         7.1681147683       -1.3793256835       -0.2508633681
 Al         4.7592841818        0.0164032295       -2.1325075790
 Al         2.3646059475        1.3986114182       -2.4096759315
 Al         7.1458055936       -1.3626461700       -3.3950688617
 Al        -4.9587369013        5.6320791451        3.9100906570
 Al         0.0139326584        2.8963914983        2.3575145483
 Al        -2.3671160580        4.1389831234        2.0002875040
 Al        -4.8006831181        5.5462511093        0.2133092311
 Al        -0.0105085075        2.7677521087       -0.2431868591
 Al        -2.4220676540        4.1622496969       -2.1315721972
 Al        -4.8169316840        5.5454240263       -2.4086330188
 Al        -0.0359600445        2.7826590832       -3.3930008545
 Al        -0.1475486288        5.6451837352        3.9070603675
 Al         4.8083154176        2.8891982592        2.3542538090
 Al         2.4211486394        4.1425478694        1.9996982351
 Al        -0.0159539372        5.5442512999        0.2106652089
 Al         4.7759315421        2.7663793725       -0.2451283774
 Al         2.3654121040        4.1622291333       -2.1321098483
 Al        -0.0290484505        5.5448770359       -2.4096971766
 Al         4.7518539284        2.7837507593       -3.3933942562
  O        -0.8219256314       -1.1927084650        3.1997149015
  O        -0.7585789806        1.4453828938        3.3565630570
  O         1.4772827415        0.0703132434        3.1951672815
  O        -1.6333182312       -0.0630751373        1.0440266599
  O         0.7134114446        1.5133579029        1.0577931610
  O         0.9349453217       -1.3828098418        1.1073708957
  O         1.6309587812        0.0892212524       -1.1217999186
  O        -0.7600649751       -1.4600162477       -1.1197110308
  O        -0.9334146887        1.4032612101       -1.1276822871
  O         0.7748009354        1.2995201090       -3.2777342099
  O         0.6687592287       -1.3194766332       -3.2843338429
  O        -1.5467722369        0.0780953090       -3.2821661853
  O         3.9630333079       -1.1908916881        3.2006459158
  O         4.0323953532        1.4422993150        3.3509115251
  O         6.2657695787        0.0738096878        3.1336106502
  O         3.1497725959       -0.0612923066        1.0491210365
  O         5.4992183448        1.5169066108        1.0491565628
  O         5.7171462283       -1.3869814650        1.0910807826
  O         6.4190463125        0.0903392966       -1.1234087470
  O         4.0262559736       -1.4600145091       -1.1198910666
  O         3.8513918336        1.4000299822       -1.1281288312
  O         5.5617826781        1.3002389775       -3.2778200132
  O         5.4564807714       -1.3194714645       -3.2845961142
  O         3.2406510130        0.0777467273       -3.2825400696
  O        -3.1944993756        2.9103926632        3.2063342482
  O        -3.1644741233        5.5871650102        3.3708934001
  O        -0.9114464649        4.2214240039        3.1930654597
  O        -4.0246075442        4.0841818457        1.0563767209
  O        -1.6826227843        5.6597547595        1.0648367940
  O        -1.4545739697        2.7633323313        1.1062789540
  O        -0.7621978215        4.2360061203       -1.1202959462
  O        -3.1536408169        2.6877417449       -1.1199555051
  O        -3.3285297297        5.5473017985       -1.1257318594
  O        -1.6194281155        5.4457199132       -3.2772975525
  O        -1.7251277289        2.8269257878       -3.2845312951
  O        -3.9408055413        4.2245277843       -3.2818577416
  O         1.5853072279        2.9273343071        3.1987775983
  O         1.6351395531        5.5914322140        3.3568123080
  O         3.8792537326        4.2118935325        3.1814553545
  O         0.7602844760        4.0842205632        1.0543466529
  O         3.1061596415        5.6603260780        1.0590542996
  O         3.3312785707        2.7624303755        1.1038591155
  O         4.0263847241        4.2355992507       -1.1206125045
  O         1.6334731985        2.6869633579       -1.1193305391
  O         1.4583276106        5.5441852277       -1.1286683499
  O         3.1682088893        5.4460736555       -3.2774484064
  O         3.0626153659        2.8269286080       -3.2842859746
  O         0.8464193027        4.2235264368       -3.2824611014
  O        -2.5577707403        1.1053129101        5.5897522157
  O        -5.1432157995        5.4630126169        5.6071559165
  O        -0.1609447510        5.5215534856        5.6091287774
  O         2.3090710746        1.3821736038        5.6153929611
  O        -0.8373288637        3.3856384968        8.9659838800
  O        -1.9581138879        1.4620349038        8.4796394246
  H        -2.2460398989        1.5892021192        6.3654966135
  H        -0.2608123228        1.1116401627        4.1344994744
  H        -2.6599934812        5.2860375343        4.1597721076
  H        -5.1249975218        6.2405993185        6.1845992943
  H         2.1192600089        5.3359935164        4.1758513910
  H        -0.0566782106        6.2885176281        6.1895994457
  H         4.5169765315        1.1293528102        4.1467822586
  H         2.4808159972        2.2026775263        6.1040672036
  H         0.2678878328        0.3495127677        8.8525161382
  H         1.2683592517        1.8437277081        8.9269525819
  H         0.6156072781        1.2685133456        7.3759867527
  H        -3.2526206223        3.0859117827        8.0952371255
  H        -3.9942205689        1.4802490063        8.4462865263
  H        -3.2718349905        2.4688231919        9.7731899971
  C         0.4070250393        1.3614337849        8.4532034309
  C        -0.8155972368        2.2054522216        8.6751049364
  C        -3.1996737373        2.1822181502        8.7163603892
