     208
 i =        1, E =     -2389.0701246358
  O         4.2295705400        8.4630588900        1.7408644300
  O         8.4754611200        4.2457194200       14.8471531500
  O         4.2354119700        4.2455362300        8.2856182500
  O         8.4630264900        8.4726487800       21.3898488500
  O         8.4727083000        8.4631294300       24.4572182800
  O         4.2249430200        4.2401388900       11.3591956100
  O         8.4503618600        4.2370606100       17.9151663500
  O         4.2406955700        8.4727858200        4.8069091800
  O         8.1276729244        2.4498221624       12.9863070199
  O         2.2952144900        4.3202200100        6.4194053900
  O        10.4057907600        8.3884554500       19.5329940700
  O         8.3889160400       10.4056296900        0.1171929400
  O         4.2352907600        2.2919480400       13.2129773400
  O        10.4029500500        4.3222813900       19.7918426400
  O         2.2961806400        8.3789014000        6.6513897600
  O         2.9581242400       10.7491073600        2.1068276100
  O         9.7447068100        1.9540274100       15.1984083400
  O         1.9509917904        2.9644139622        8.6428964599
  O        10.7490487700        9.7443760900       21.7569270500
  O         9.7446412600       10.7490205700       24.0903331600
  O         2.9451095325        2.0186798675       10.9137759445
  O        10.6656988100        2.9586474800       17.5561408800
  O         1.9540059000        9.7452698400        4.4388676300
  O         5.6566781600       10.6676023100        2.0929973000
  O         7.0421178300        2.0337170800       15.1996231100
  O         2.0249472100        5.6574224100        8.6492884200
  O        10.6677190800        7.0441980300       21.7423470800
  O         7.0458743000       10.6678021800       24.1050361000
  O         5.5816863900        2.0285814900       10.9920585800
  O        10.6666341900        5.6545592300       17.5594293900
  O         2.0343872100        7.0425002200        4.4533508200
  O         8.3858447800        6.1733378200       12.9333165900
  O         6.1762129800        4.3241378400        6.3729325500
  O         6.5271112500        8.3846232600       19.4835087300
  O         8.3849691100        6.5270334200        0.1656932900
  O         4.3165301800        6.1749746500       13.2647425500
  O         6.5241184000        4.3173362700       19.8170214900
  O         6.1757301700        8.3837312600        6.7136301700
  O         2.9686776700        6.1833043800        2.0891908900
  O         9.7352449600        6.5201459700       15.1901243500
  O         6.4403214400        2.9428561600        8.5697243100
  O         6.1833159000        9.7342750400       21.7389782900
  O         9.7338341600        6.1836245200       24.1084193600
  O         2.9659510600        6.5195130700       11.0070662700
  O         6.1797797000        2.9677697500       17.5575220200
  O         6.5194007200        9.7346125400        4.4591110700
  O         5.6752205700        6.2702483600        2.0196921200
  O         7.0263487300        6.4333366800       15.1191343900
  O         6.4345589200        5.6739535800        8.5698098900
  O         6.2699755000        7.0270757300       21.6690293600
  O         7.0271925000        6.2700412000       24.1781387100
  O         5.6738863900        6.4310950400       11.0790959100
  O         6.2666545300        5.6767204300       17.6280294100
  O         6.4326612700        7.0268935300        4.5288010300
  O         9.1402002300        8.4706183500        1.8298522400
  O         3.5674091100        4.2291862200       14.9333763800
  O         4.2347565400        9.1401171400        8.3776571600
  O         8.4687652200        3.5613689300       21.4810086900
  O         3.5621879400        8.4705903700       24.3681987900
  O         9.1464988765        4.2278666566       11.2697354296
  O         8.4706943100        9.1398335300       17.8190171800
  O         4.2318096800        3.5621555200        4.7181911800
  O        10.6034450900       10.6656667600        1.6459960400
  O         2.0857579710        2.1071159684       14.8404682776
  O         2.0350343500       10.5861393900        8.1156265800
  O        10.6658027300        2.0968990400       21.2965832300
  O         2.0988637500       10.6657388300       24.5527106100
  O        10.2696476268        1.7795531109       11.7071738499
  O        10.6659774800       10.6018824600       18.0028592600
  O         2.0358741700        2.1019731600        4.8994763700
  O         8.2149478600       10.7695174200        2.7171826500
  O         4.4922364900        1.8675174600       15.8115166700
  O         1.9462056000        8.2272614400        9.2556770000
  O        10.7754949800        4.4849789000       22.3763414500
  O         4.4874486300       10.7696872500       23.4808232900
  O         8.1220999063        1.9563783514       10.3146206830
  O        10.7693067000        8.2142055200       16.9322323400
  O         1.9292989600        4.4866761800        3.8263852500
  O        10.6039183300        6.2700424500        1.6526128200
  O         2.0940740000        6.4224485600       14.7524306000
  O         6.4383378100       10.5971814300        8.2027990700
  O         6.2697103900        2.0975236100       21.3015877500
  O         2.0984804300        6.2700395200       24.5455045100
  O        10.6346439851        6.4136146297       11.4436900652
  O         6.2697644200       10.6018108100       17.9964828300
  O         6.4329216300        2.1003953900        4.8950790600
  O         8.2240566000        6.1827143100        2.7843502100
  O         4.4774244600        6.5205015300       15.8826331100
  O         6.5200444700        8.2220245000        9.3347998100
  O         6.1820737500        4.4790168100       22.4342021900
  O         4.4785807800        6.1825922200       23.4136637200
  O         8.2230099900        6.5173428100       10.3143916900
  O         6.1823837600        8.2237147300       16.8639931400
  O         6.5204091100        4.4793989800        3.7615190300
  O        -0.0000811100       10.4968698200       -0.0000101600
  O        -0.0055776127        2.1072653035       13.1762088177
  O         2.2000085700        0.0054120400        6.5317484600
  O        10.4968808800       -0.0003231400       19.6489693000
  O        12.1164759500        8.4682696600        1.6535451100
  O         0.5046720511        4.2613481888       14.6647041146
  O         4.2502022200       12.1063349900        8.1167398400
  O         8.4681185100        0.5857988200       21.3025268200
  O         0.5859461300        8.4683694900       24.5445930600
  O        12.6943347208        4.4962087061       11.6092686885
  O         8.4680552500       12.1154525900       17.9959503800
  O         4.2357898100        0.5867474400        4.8943749500
  O         0.3392081300       10.7577293800        2.6188612900
  O        12.3524457330        2.0274048128       15.8126089075
  O         2.1127851782        0.2632328654        9.1655949033
  O        10.7578400400       12.3623177500       22.2682467800
  O        12.3629242100       10.7577384100       23.5790245000
  O         0.4221763819        1.5160062677       10.3962808079
  O        10.7532992500        0.3368438900       17.0300447100
  O         1.9442190800       12.3628778600        3.9262574100
  O         0.0000036300        6.4393722800       -0.0000602000
  O        -0.0087552752        6.5311178747       13.1683263225
  O         6.2727345900        0.0014434800        6.5405205500
  O         6.4392565100       -0.0002711600       19.6496620200
  O         0.3399161100        6.1796352800        2.6172760100
  O        12.3609863500        6.5213907400       15.7209215800
  O         6.5097066500        0.3306896100        9.1606721600
  O         6.1793846900       12.3613768200       22.2671296200
  O        12.3623869200        6.1801107000       23.5805909400
  O         0.3334303045        6.7789253903       10.4840743908
  O         6.1822763600        0.3355111200       17.0348710200
  O         6.5231611000       12.3615965000        3.9295164200
 Si         4.2883381800       10.0667807300        1.4686959700
 Si         8.4022365100        2.6461572800       14.5772457500
 Si         2.6383236200        4.3014082600        8.0060581000
 Si        10.0668380400        8.4135765800       21.1191197400
 Si         8.4144156700       10.0667847700       24.7293936000
 Si         4.2226296300        2.6365071800       11.6303295300
 Si        10.0472330000        4.3040274200       18.2061906700
 Si         2.6366178700        8.4123544500        5.0697185600
 Si         4.2883378100        6.8646312100        1.4248049500
 Si         8.4147375000        5.8411539100       14.5258438200
 Si         5.8213221800        4.3068798400        7.9532666800
 Si         6.8643534300        8.4143326100       21.0743806700
 Si         8.4141093100        6.8647139500       24.7733761000
 Si         4.2837693300        5.8387086800       11.6726970200
 Si         6.8547179000        4.2897965500       18.2261021600
 Si         5.8388050400        8.4143999400        5.1227592600
 Si         9.0898672800       10.0699506700        1.5532618900
 Si         3.6150153900        2.6240246700       14.6838045900
 Si         2.6403030400        9.0798500800        8.0796865400
 Si        10.0688228400        3.6093910600       21.2184830300
 Si         3.6124818600       10.0698877400       24.6451112200
 Si         8.9120560363        2.6156183766       11.5778513917
 Si        10.0699484000        9.0886068500       18.0966034500
 Si         2.6324150500        3.6137992800        4.9884177800
 Si         9.0894344500        6.8661342000        1.5963278700
 Si         3.6127133200        5.8344588900       14.6951869600
 Si         5.8386950700        9.0860399300        8.1446711300
 Si         6.8643031600        3.6123908700       21.2468168500
 Si         3.6130663700        6.8660541300       24.6019596200
 Si         9.0977204700        5.8439292800       11.5025516400
 Si         6.8661949800        9.0879048500       18.0526504800
 Si         5.8365347100        3.6136734600        4.9475131500
 Si        12.1198802100       10.0860568000        1.4663223000
 Si         0.5467010780        2.6169958966       14.5742558946
 Si         2.6421130300       12.0824174100        7.9591219300
 Si        10.0857313400        0.5807137800       21.1151706100
 Si         0.5822890600       10.0861122900       24.7322166600
 Sn        11.9780680856        2.6890151155       11.4045797462
 Si        10.0850134100       12.1169477100       18.1841030000
 Si         2.6180135400        0.5868203300        5.0716662300
 Si        12.1189366400        6.8517786000        1.4659966900
 Si         0.5704547100        5.8661253200       14.5504835700
 Si         5.8642362600       12.1085872700        7.9962792700
 Si         6.8514508200        0.5823016200       21.1157170400
 Si         0.5834115000        6.8518532900       24.7323550700
 Si        12.2270690414        6.0301418416       11.6946673887
 Si         6.8524940500       12.1153959200       18.1857836700
 Si         5.8529754000        0.5848021000        5.0798077500
 Si         1.8201930800       10.8826413700        3.2726085400
 Si        10.8510561300        1.8299545500       16.4047393400
 Si         1.8492811926        1.7482202373        9.7539114899
 Si        10.8822371000       10.8817062600       22.9238677600
 Si         6.7113372500       10.8742713500        3.3115902000
 Si         5.9930957500        1.8189876200       16.4182914000
 Si         1.8301162400        6.7341175000        9.8579602400
 Si        10.8748151900        5.9918067300       22.9630608200
 Si         5.9911220400       10.8737241500       22.8866186600
 Si         6.6138655000        1.8346190400        9.7480909300
 Si        10.8731472500        6.7094817500       16.3400099900
 Si         1.8275766600        5.9903571000        3.2340004500
 Si         6.6865966100        6.0168535300        3.2737766100
 Si         6.0147700000        6.6871733500       16.3729733300
 Si         6.6856632300        6.6854921700        9.8256179500
 Si         6.0159861900        6.0165422600       22.9239001600
  O         4.3137856200       10.4054859800       -0.1176776600
  O         4.3175021100        6.5269958300       -0.1659315100
  C         9.6930816231        7.2291346918        7.4565177094
  H         9.1090003769        7.7965661503        6.7218569077
  H        10.7499630898        7.5221355317        7.4290243309
  O         9.5410000000        5.7960000000        7.1770000000
  C        10.6360000000        4.6970000000        8.4060000000
  O        11.2510000000        3.2130000000        9.4940000000
  H        10.4187775351        5.3808894955        9.2179043683
  C        10.1840000000        3.2970000000        8.5330000000
  H         9.2235584708        3.1588574949        9.0350850356
  C        10.3325669801        2.4005539790        7.3208787333
  H        11.3037094763        2.5476697799        6.8358773464
  H         9.5224196305        2.5856069294        6.6000976802
  H        11.5429716709        4.8747410350        7.8340685730
 Cl        10.2267256936        0.6795231384        7.8152590708
  H         9.2818729400        7.3936081739        8.4580511709
  H         9.8643473467        5.6233441338        6.2723470632
     208
 i =        2, E =     -2389.0712744525
  O         4.2295705400        8.4630588900        1.7408644300
  O         8.4754611200        4.2457194200       14.8471531500
  O         4.2354119700        4.2455362300        8.2856182500
  O         8.4630264900        8.4726487800       21.3898488500
  O         8.4727083000        8.4631294300       24.4572182800
  O         4.2249430200        4.2401388900       11.3591956100
  O         8.4503618600        4.2370606100       17.9151663500
  O         4.2406955700        8.4727858200        4.8069091800
  O         8.1257236427        2.4511642927       12.9892130154
  O         2.2952144900        4.3202200100        6.4194053900
  O        10.4057907600        8.3884554500       19.5329940700
  O         8.3889160400       10.4056296900        0.1171929400
  O         4.2352907600        2.2919480400       13.2129773400
  O        10.4029500500        4.3222813900       19.7918426400
  O         2.2961806400        8.3789014000        6.6513897600
  O         2.9581242400       10.7491073600        2.1068276100
  O         9.7447068100        1.9540274100       15.1984083400
  O         1.9506488827        2.9639131369        8.6399440187
  O        10.7490487700        9.7443760900       21.7569270500
  O         9.7446412600       10.7490205700       24.0903331600
  O         2.9455945516        2.0201590486       10.9132278313
  O        10.6656988100        2.9586474800       17.5561408800
  O         1.9540059000        9.7452698400        4.4388676300
  O         5.6566781600       10.6676023100        2.0929973000
  O         7.0421178300        2.0337170800       15.1996231100
  O         2.0249472100        5.6574224100        8.6492884200
  O        10.6677190800        7.0441980300       21.7423470800
  O         7.0458743000       10.6678021800       24.1050361000
  O         5.5816863900        2.0285814900       10.9920585800
  O        10.6666341900        5.6545592300       17.5594293900
  O         2.0343872100        7.0425002200        4.4533508200
  O         8.3858447800        6.1733378200       12.9333165900
  O         6.1762129800        4.3241378400        6.3729325500
  O         6.5271112500        8.3846232600       19.4835087300
  O         8.3849691100        6.5270334200        0.1656932900
  O         4.3165301800        6.1749746500       13.2647425500
  O         6.5241184000        4.3173362700       19.8170214900
  O         6.1757301700        8.3837312600        6.7136301700
  O         2.9686776700        6.1833043800        2.0891908900
  O         9.7352449600        6.5201459700       15.1901243500
  O         6.4403214400        2.9428561600        8.5697243100
  O         6.1833159000        9.7342750400       21.7389782900
  O         9.7338341600        6.1836245200       24.1084193600
  O         2.9659510600        6.5195130700       11.0070662700
  O         6.1797797000        2.9677697500       17.5575220200
  O         6.5194007200        9.7346125400        4.4591110700
  O         5.6752205700        6.2702483600        2.0196921200
  O         7.0263487300        6.4333366800       15.1191343900
  O         6.4345589200        5.6739535800        8.5698098900
  O         6.2699755000        7.0270757300       21.6690293600
  O         7.0271925000        6.2700412000       24.1781387100
  O         5.6738863900        6.4310950400       11.0790959100
  O         6.2666545300        5.6767204300       17.6280294100
  O         6.4326612700        7.0268935300        4.5288010300
  O         9.1402002300        8.4706183500        1.8298522400
  O         3.5674091100        4.2291862200       14.9333763800
  O         4.2347565400        9.1401171400        8.3776571600
  O         8.4687652200        3.5613689300       21.4810086900
  O         3.5621879400        8.4705903700       24.3681987900
  O         9.1446469873        4.2273856555       11.2670569270
  O         8.4706943100        9.1398335300       17.8190171800
  O         4.2318096800        3.5621555200        4.7181911800
  O        10.6034450900       10.6656667600        1.6459960400
  O         2.0857061958        2.1075114275       14.8408474960
  O         2.0350343500       10.5861393900        8.1156265800
  O        10.6658027300        2.0968990400       21.2965832300
  O         2.0988637500       10.6657388300       24.5527106100
  O        10.2688028934        1.7854590530       11.7086023453
  O        10.6659774800       10.6018824600       18.0028592600
  O         2.0358741700        2.1019731600        4.8994763700
  O         8.2149478600       10.7695174200        2.7171826500
  O         4.4922364900        1.8675174600       15.8115166700
  O         1.9462056000        8.2272614400        9.2556770000
  O        10.7754949800        4.4849789000       22.3763414500
  O         4.4874486300       10.7696872500       23.4808232900
  O         8.1186550441        1.9609047046       10.3199551269
  O        10.7693067000        8.2142055200       16.9322323400
  O         1.9292989600        4.4866761800        3.8263852500
  O        10.6039183300        6.2700424500        1.6526128200
  O         2.0940740000        6.4224485600       14.7524306000
  O         6.4383378100       10.5971814300        8.2027990700
  O         6.2697103900        2.0975236100       21.3015877500
  O         2.0984804300        6.2700395200       24.5455045100
  O        10.6326228516        6.4106866546       11.4391262943
  O         6.2697644200       10.6018108100       17.9964828300
  O         6.4329216300        2.1003953900        4.8950790600
  O         8.2240566000        6.1827143100        2.7843502100
  O         4.4774244600        6.5205015300       15.8826331100
  O         6.5200444700        8.2220245000        9.3347998100
  O         6.1820737500        4.4790168100       22.4342021900
  O         4.4785807800        6.1825922200       23.4136637200
  O         8.2230099900        6.5173428100       10.3143916900
  O         6.1823837600        8.2237147300       16.8639931400
  O         6.5204091100        4.4793989800        3.7615190300
  O        -0.0000811100       10.4968698200       -0.0000101600
  O        -0.0045091262        2.1072877836       13.1788330863
  O         2.2000085700        0.0054120400        6.5317484600
  O        10.4968808800       -0.0003231400       19.6489693000
  O        12.1164759500        8.4682696600        1.6535451100
  O         0.5046333177        4.2610749461       14.6649097516
  O         4.2502022200       12.1063349900        8.1167398400
  O         8.4681185100        0.5857988200       21.3025268200
  O         0.5859461300        8.4683694900       24.5445930600
  O        12.6919543610        4.4915464527       11.6081489514
  O         8.4680552500       12.1154525900       17.9959503800
  O         4.2357898100        0.5867474400        4.8943749500
  O         0.3392081300       10.7577293800        2.6188612900
  O        12.3524846068        2.0278496734       15.8127921913
  O         2.1148019635        0.2666607306        9.1628865539
  O        10.7578400400       12.3623177500       22.2682467800
  O        12.3629242100       10.7577384100       23.5790245000
  O         0.4165746989        1.5202493068       10.3893644470
  O        10.7532992500        0.3368438900       17.0300447100
  O         1.9442190800       12.3628778600        3.9262574100
  O         0.0000036300        6.4393722800       -0.0000602000
  O        -0.0089005318        6.5304899124       13.1691352896
  O         6.2727345900        0.0014434800        6.5405205500
  O         6.4392565100       -0.0002711600       19.6496620200
  O         0.3399161100        6.1796352800        2.6172760100
  O        12.3609863500        6.5213907400       15.7209215800
  O         6.5097066500        0.3306896100        9.1606721600
  O         6.1793846900       12.3613768200       22.2671296200
  O        12.3623869200        6.1801107000       23.5805909400
  O         0.3323555010        6.7759317021       10.4813966104
  O         6.1822763600        0.3355111200       17.0348710200
  O         6.5231611000       12.3615965000        3.9295164200
 Si         4.2883381800       10.0667807300        1.4686959700
 Si         8.4022365100        2.6461572800       14.5772457500
 Si         2.6383236200        4.3014082600        8.0060581000
 Si        10.0668380400        8.4135765800       21.1191197400
 Si         8.4144156700       10.0667847700       24.7293936000
 Si         4.2226296300        2.6365071800       11.6303295300
 Si        10.0472330000        4.3040274200       18.2061906700
 Si         2.6366178700        8.4123544500        5.0697185600
 Si         4.2883378100        6.8646312100        1.4248049500
 Si         8.4147375000        5.8411539100       14.5258438200
 Si         5.8213221800        4.3068798400        7.9532666800
 Si         6.8643534300        8.4143326100       21.0743806700
 Si         8.4141093100        6.8647139500       24.7733761000
 Si         4.2837693300        5.8387086800       11.6726970200
 Si         6.8547179000        4.2897965500       18.2261021600
 Si         5.8388050400        8.4143999400        5.1227592600
 Si         9.0898672800       10.0699506700        1.5532618900
 Si         3.6150153900        2.6240246700       14.6838045900
 Si         2.6403030400        9.0798500800        8.0796865400
 Si        10.0688228400        3.6093910600       21.2184830300
 Si         3.6124818600       10.0698877400       24.6451112200
 Si         8.9091716958        2.6082603442       11.5866112360
 Si        10.0699484000        9.0886068500       18.0966034500
 Si         2.6324150500        3.6137992800        4.9884177800
 Si         9.0894344500        6.8661342000        1.5963278700
 Si         3.6127133200        5.8344588900       14.6951869600
 Si         5.8386950700        9.0860399300        8.1446711300
 Si         6.8643031600        3.6123908700       21.2468168500
 Si         3.6130663700        6.8660541300       24.6019596200
 Si         9.0977204700        5.8439292800       11.5025516400
 Si         6.8661949800        9.0879048500       18.0526504800
 Si         5.8365347100        3.6136734600        4.9475131500
 Si        12.1198802100       10.0860568000        1.4663223000
 Si         0.5472770452        2.6167327327       14.5750301490
 Si         2.6421130300       12.0824174100        7.9591219300
 Si        10.0857313400        0.5807137800       21.1151706100
 Si         0.5822890600       10.0861122900       24.7322166600
 Sn        11.9816725462        2.6694626103       11.4218331087
 Si        10.0850134100       12.1169477100       18.1841030000
 Si         2.6180135400        0.5868203300        5.0716662300
 Si        12.1189366400        6.8517786000        1.4659966900
 Si         0.5704547100        5.8661253200       14.5504835700
 Si         5.8642362600       12.1085872700        7.9962792700
 Si         6.8514508200        0.5823016200       21.1157170400
 Si         0.5834115000        6.8518532900       24.7323550700
 Si        12.2302839687        6.0302390172       11.6953478147
 Si         6.8524940500       12.1153959200       18.1857836700
 Si         5.8529754000        0.5848021000        5.0798077500
 Si         1.8201930800       10.8826413700        3.2726085400
 Si        10.8510561300        1.8299545500       16.4047393400
 Si         1.8472906753        1.7442758300        9.7568900759
 Si        10.8822371000       10.8817062600       22.9238677600
 Si         6.7113372500       10.8742713500        3.3115902000
 Si         5.9930957500        1.8189876200       16.4182914000
 Si         1.8301162400        6.7341175000        9.8579602400
 Si        10.8748151900        5.9918067300       22.9630608200
 Si         5.9911220400       10.8737241500       22.8866186600
 Si         6.6138655000        1.8346190400        9.7480909300
 Si        10.8731472500        6.7094817500       16.3400099900
 Si         1.8275766600        5.9903571000        3.2340004500
 Si         6.6865966100        6.0168535300        3.2737766100
 Si         6.0147700000        6.6871733500       16.3729733300
 Si         6.6856632300        6.6854921700        9.8256179500
 Si         6.0159861900        6.0165422600       22.9239001600
  O         4.3137856200       10.4054859800       -0.1176776600
  O         4.3175021100        6.5269958300       -0.1659315100
  C         9.6935688080        7.2290416171        7.4550358233
  H         9.1088537134        7.7956049972        6.7212396195
  H        10.7499655148        7.5225175324        7.4289797116
  O         9.5410000000        5.7960000000        7.1770000000
  C        10.6360000000        4.6970000000        8.4060000000
  O        11.2510000000        3.2130000000        9.4940000000
  H        10.4179644902        5.3809173137        9.2155242240
  C        10.1840000000        3.2970000000        8.5330000000
  H         9.2229507500        3.1635611448        9.0207917217
  C        10.3350626127        2.3981786064        7.3233067019
  H        11.3055642389        2.5466696749        6.8357869270
  H         9.5225180782        2.5868203003        6.6017266060
  H        11.5475792032        4.8739188922        7.8373219512
 Cl        10.2259997017        0.6800075104        7.8136582220
  H         9.2839587489        7.3926834154        8.4560399498
  H         9.8627756834        5.6241042076        6.2727274420
     208
 i =        3, E =     -2389.0720067780
  O         4.2295705400        8.4630588900        1.7408644300
  O         8.4754611200        4.2457194200       14.8471531500
  O         4.2354119700        4.2455362300        8.2856182500
  O         8.4630264900        8.4726487800       21.3898488500
  O         8.4727083000        8.4631294300       24.4572182800
  O         4.2249430200        4.2401388900       11.3591956100
  O         8.4503618600        4.2370606100       17.9151663500
  O         4.2406955700        8.4727858200        4.8069091800
  O         8.1215543701        2.4509828057       12.9962328023
  O         2.2952144900        4.3202200100        6.4194053900
  O        10.4057907600        8.3884554500       19.5329940700
  O         8.3889160400       10.4056296900        0.1171929400
  O         4.2352907600        2.2919480400       13.2129773400
  O        10.4029500500        4.3222813900       19.7918426400
  O         2.2961806400        8.3789014000        6.6513897600
  O         2.9581242400       10.7491073600        2.1068276100
  O         9.7447068100        1.9540274100       15.1984083400
  O         1.9500207915        2.9590432744        8.6416478025
  O        10.7490487700        9.7443760900       21.7569270500
  O         9.7446412600       10.7490205700       24.0903331600
  O         2.9440712604        2.0209006170       10.9124067310
  O        10.6656988100        2.9586474800       17.5561408800
  O         1.9540059000        9.7452698400        4.4388676300
  O         5.6566781600       10.6676023100        2.0929973000
  O         7.0421178300        2.0337170800       15.1996231100
  O         2.0249472100        5.6574224100        8.6492884200
  O        10.6677190800        7.0441980300       21.7423470800
  O         7.0458743000       10.6678021800       24.1050361000
  O         5.5816863900        2.0285814900       10.9920585800
  O        10.6666341900        5.6545592300       17.5594293900
  O         2.0343872100        7.0425002200        4.4533508200
  O         8.3858447800        6.1733378200       12.9333165900
  O         6.1762129800        4.3241378400        6.3729325500
  O         6.5271112500        8.3846232600       19.4835087300
  O         8.3849691100        6.5270334200        0.1656932900
  O         4.3165301800        6.1749746500       13.2647425500
  O         6.5241184000        4.3173362700       19.8170214900
  O         6.1757301700        8.3837312600        6.7136301700
  O         2.9686776700        6.1833043800        2.0891908900
  O         9.7352449600        6.5201459700       15.1901243500
  O         6.4403214400        2.9428561600        8.5697243100
  O         6.1833159000        9.7342750400       21.7389782900
  O         9.7338341600        6.1836245200       24.1084193600
  O         2.9659510600        6.5195130700       11.0070662700
  O         6.1797797000        2.9677697500       17.5575220200
  O         6.5194007200        9.7346125400        4.4591110700
  O         5.6752205700        6.2702483600        2.0196921200
  O         7.0263487300        6.4333366800       15.1191343900
  O         6.4345589200        5.6739535800        8.5698098900
  O         6.2699755000        7.0270757300       21.6690293600
  O         7.0271925000        6.2700412000       24.1781387100
  O         5.6738863900        6.4310950400       11.0790959100
  O         6.2666545300        5.6767204300       17.6280294100
  O         6.4326612700        7.0268935300        4.5288010300
  O         9.1402002300        8.4706183500        1.8298522400
  O         3.5674091100        4.2291862200       14.9333763800
  O         4.2347565400        9.1401171400        8.3776571600
  O         8.4687652200        3.5613689300       21.4810086900
  O         3.5621879400        8.4705903700       24.3681987900
  O         9.1414503775        4.2209651709       11.2675237608
  O         8.4706943100        9.1398335300       17.8190171800
  O         4.2318096800        3.5621555200        4.7181911800
  O        10.6034450900       10.6656667600        1.6459960400
  O         2.0850815542        2.1076127086       14.8409989816
  O         2.0350343500       10.5861393900        8.1156265800
  O        10.6658027300        2.0968990400       21.2965832300
  O         2.0988637500       10.6657388300       24.5527106100
  O        10.2681447016        1.7848818381       11.7130145888
  O        10.6659774800       10.6018824600       18.0028592600
  O         2.0358741700        2.1019731600        4.8994763700
  O         8.2149478600       10.7695174200        2.7171826500
  O         4.4922364900        1.8675174600       15.8115166700
  O         1.9462056000        8.2272614400        9.2556770000
  O        10.7754949800        4.4849789000       22.3763414500
  O         4.4874486300       10.7696872500       23.4808232900
  O         8.1144947706        1.9650476279       10.3270180933
  O        10.7693067000        8.2142055200       16.9322323400
  O         1.9292989600        4.4866761800        3.8263852500
  O        10.6039183300        6.2700424500        1.6526128200
  O         2.0940740000        6.4224485600       14.7524306000
  O         6.4383378100       10.5971814300        8.2027990700
  O         6.2697103900        2.0975236100       21.3015877500
  O         2.0984804300        6.2700395200       24.5455045100
  O        10.6347624522        6.4070572394       11.4349999698
  O         6.2697644200       10.6018108100       17.9964828300
  O         6.4329216300        2.1003953900        4.8950790600
  O         8.2240566000        6.1827143100        2.7843502100
  O         4.4774244600        6.5205015300       15.8826331100
  O         6.5200444700        8.2220245000        9.3347998100
  O         6.1820737500        4.4790168100       22.4342021900
  O         4.4785807800        6.1825922200       23.4136637200
  O         8.2230099900        6.5173428100       10.3143916900
  O         6.1823837600        8.2237147300       16.8639931400
  O         6.5204091100        4.4793989800        3.7615190300
  O        -0.0000811100       10.4968698200       -0.0000101600
  O        -0.0016748084        2.1034237687       13.1857721951
  O         2.2000085700        0.0054120400        6.5317484600
  O        10.4968808800       -0.0003231400       19.6489693000
  O        12.1164759500        8.4682696600        1.6535451100
  O         0.5044893743        4.2594115138       14.6648776792
  O         4.2502022200       12.1063349900        8.1167398400
  O         8.4681185100        0.5857988200       21.3025268200
  O         0.5859461300        8.4683694900       24.5445930600
  O        12.6876326726        4.4848180154       11.6079250328
  O         8.4680552500       12.1154525900       17.9959503800
  O         4.2357898100        0.5867474400        4.8943749500
  O         0.3392081300       10.7577293800        2.6188612900
  O        12.3527957700        2.0281777212       15.8122490194
  O         2.1160690135        0.2682602958        9.1605829925
  O        10.7578400400       12.3623177500       22.2682467800
  O        12.3629242100       10.7577384100       23.5790245000
  O         0.4117863312        1.5207258085       10.3825642960
  O        10.7532992500        0.3368438900       17.0300447100
  O         1.9442190800       12.3628778600        3.9262574100
  O         0.0000036300        6.4393722800       -0.0000602000
  O        -0.0086481998        6.5304443321       13.1706902529
  O         6.2727345900        0.0014434800        6.5405205500
  O         6.4392565100       -0.0002711600       19.6496620200
  O         0.3399161100        6.1796352800        2.6172760100
  O        12.3609863500        6.5213907400       15.7209215800
  O         6.5097066500        0.3306896100        9.1606721600
  O         6.1793846900       12.3613768200       22.2671296200
  O        12.3623869200        6.1801107000       23.5805909400
  O         0.3322190687        6.7738976940       10.4790972337
  O         6.1822763600        0.3355111200       17.0348710200
  O         6.5231611000       12.3615965000        3.9295164200
 Si         4.2883381800       10.0667807300        1.4686959700
 Si         8.4022365100        2.6461572800       14.5772457500
 Si         2.6383236200        4.3014082600        8.0060581000
 Si        10.0668380400        8.4135765800       21.1191197400
 Si         8.4144156700       10.0667847700       24.7293936000
 Si         4.2226296300        2.6365071800       11.6303295300
 Si        10.0472330000        4.3040274200       18.2061906700
 Si         2.6366178700        8.4123544500        5.0697185600
 Si         4.2883378100        6.8646312100        1.4248049500
 Si         8.4147375000        5.8411539100       14.5258438200
 Si         5.8213221800        4.3068798400        7.9532666800
 Si         6.8643534300        8.4143326100       21.0743806700
 Si         8.4141093100        6.8647139500       24.7733761000
 Si         4.2837693300        5.8387086800       11.6726970200
 Si         6.8547179000        4.2897965500       18.2261021600
 Si         5.8388050400        8.4143999400        5.1227592600
 Si         9.0898672800       10.0699506700        1.5532618900
 Si         3.6150153900        2.6240246700       14.6838045900
 Si         2.6403030400        9.0798500800        8.0796865400
 Si        10.0688228400        3.6093910600       21.2184830300
 Si         3.6124818600       10.0698877400       24.6451112200
 Si         8.9040050443        2.6111892335       11.5903883283
 Si        10.0699484000        9.0886068500       18.0966034500
 Si         2.6324150500        3.6137992800        4.9884177800
 Si         9.0894344500        6.8661342000        1.5963278700
 Si         3.6127133200        5.8344588900       14.6951869600
 Si         5.8386950700        9.0860399300        8.1446711300
 Si         6.8643031600        3.6123908700       21.2468168500
 Si         3.6130663700        6.8660541300       24.6019596200
 Si         9.0977204700        5.8439292800       11.5025516400
 Si         6.8661949800        9.0879048500       18.0526504800
 Si         5.8365347100        3.6136734600        4.9475131500
 Si        12.1198802100       10.0860568000        1.4663223000
 Si         0.5497438936        2.6186230877       14.5808202344
 Si         2.6421130300       12.0824174100        7.9591219300
 Si        10.0857313400        0.5807137800       21.1151706100
 Si         0.5822890600       10.0861122900       24.7322166600
 Sn        11.9854282916        2.6554749292       11.4380943574
 Si        10.0850134100       12.1169477100       18.1841030000
 Si         2.6180135400        0.5868203300        5.0716662300
 Si        12.1189366400        6.8517786000        1.4659966900
 Si         0.5704547100        5.8661253200       14.5504835700
 Si         5.8642362600       12.1085872700        7.9962792700
 Si         6.8514508200        0.5823016200       21.1157170400
 Si         0.5834115000        6.8518532900       24.7323550700
 Si        12.2298197858        6.0244537571       11.6934930533
 Si         6.8524940500       12.1153959200       18.1857836700
 Si         5.8529754000        0.5848021000        5.0798077500
 Si         1.8201930800       10.8826413700        3.2726085400
 Si        10.8510561300        1.8299545500       16.4047393400
 Si         1.8471510616        1.7470905175        9.7561100408
 Si        10.8822371000       10.8817062600       22.9238677600
 Si         6.7113372500       10.8742713500        3.3115902000
 Si         5.9930957500        1.8189876200       16.4182914000
 Si         1.8301162400        6.7341175000        9.8579602400
 Si        10.8748151900        5.9918067300       22.9630608200
 Si         5.9911220400       10.8737241500       22.8866186600
 Si         6.6138655000        1.8346190400        9.7480909300
 Si        10.8731472500        6.7094817500       16.3400099900
 Si         1.8275766600        5.9903571000        3.2340004500
 Si         6.6865966100        6.0168535300        3.2737766100
 Si         6.0147700000        6.6871733500       16.3729733300
 Si         6.6856632300        6.6854921700        9.8256179500
 Si         6.0159861900        6.0165422600       22.9239001600
  O         4.3137856200       10.4054859800       -0.1176776600
  O         4.3175021100        6.5269958300       -0.1659315100
  C         9.6945289776        7.2280935063        7.4526482594
  H         9.1084018220        7.7945658711        6.7198292286
  H        10.7503807618        7.5231243892        7.4285295592
  O         9.5410000000        5.7960000000        7.1770000000
  C        10.6360000000        4.6970000000        8.4060000000
  O        11.2510000000        3.2130000000        9.4940000000
  H        10.4161731090        5.3817706103        9.2132159179
  C        10.1840000000        3.2970000000        8.5330000000
  H         9.2168259689        3.1699124289        9.0032652549
  C        10.3368707405        2.3976502562        7.3228471566
  H        11.3079956567        2.5448542085        6.8362099122
  H         9.5249837374        2.5879897202        6.6058237363
  H        11.5528049167        4.8724276498        7.8432024872
 Cl        10.2248370802        0.6789032719        7.8119737227
  H         9.2866003193        7.3916035286        8.4540038654
  H         9.8607497219        5.6248031980        6.2720801392
     208
 i =        4, E =     -2389.0725526624
  O         4.2295705400        8.4630588900        1.7408644300
  O         8.4754611200        4.2457194200       14.8471531500
  O         4.2354119700        4.2455362300        8.2856182500
  O         8.4630264900        8.4726487800       21.3898488500
  O         8.4727083000        8.4631294300       24.4572182800
  O         4.2249430200        4.2401388900       11.3591956100
  O         8.4503618600        4.2370606100       17.9151663500
  O         4.2406955700        8.4727858200        4.8069091800
  O         8.1186855669        2.4494132559       12.9983060167
  O         2.2952144900        4.3202200100        6.4194053900
  O        10.4057907600        8.3884554500       19.5329940700
  O         8.3889160400       10.4056296900        0.1171929400
  O         4.2352907600        2.2919480400       13.2129773400
  O        10.4029500500        4.3222813900       19.7918426400
  O         2.2961806400        8.3789014000        6.6513897600
  O         2.9581242400       10.7491073600        2.1068276100
  O         9.7447068100        1.9540274100       15.1984083400
  O         1.9520065740        2.9617089165        8.6401795186
  O        10.7490487700        9.7443760900       21.7569270500
  O         9.7446412600       10.7490205700       24.0903331600
  O         2.9427475534        2.0214937864       10.9140532348
  O        10.6656988100        2.9586474800       17.5561408800
  O         1.9540059000        9.7452698400        4.4388676300
  O         5.6566781600       10.6676023100        2.0929973000
  O         7.0421178300        2.0337170800       15.1996231100
  O         2.0249472100        5.6574224100        8.6492884200
  O        10.6677190800        7.0441980300       21.7423470800
  O         7.0458743000       10.6678021800       24.1050361000
  O         5.5816863900        2.0285814900       10.9920585800
  O        10.6666341900        5.6545592300       17.5594293900
  O         2.0343872100        7.0425002200        4.4533508200
  O         8.3858447800        6.1733378200       12.9333165900
  O         6.1762129800        4.3241378400        6.3729325500
  O         6.5271112500        8.3846232600       19.4835087300
  O         8.3849691100        6.5270334200        0.1656932900
  O         4.3165301800        6.1749746500       13.2647425500
  O         6.5241184000        4.3173362700       19.8170214900
  O         6.1757301700        8.3837312600        6.7136301700
  O         2.9686776700        6.1833043800        2.0891908900
  O         9.7352449600        6.5201459700       15.1901243500
  O         6.4403214400        2.9428561600        8.5697243100
  O         6.1833159000        9.7342750400       21.7389782900
  O         9.7338341600        6.1836245200       24.1084193600
  O         2.9659510600        6.5195130700       11.0070662700
  O         6.1797797000        2.9677697500       17.5575220200
  O         6.5194007200        9.7346125400        4.4591110700
  O         5.6752205700        6.2702483600        2.0196921200
  O         7.0263487300        6.4333366800       15.1191343900
  O         6.4345589200        5.6739535800        8.5698098900
  O         6.2699755000        7.0270757300       21.6690293600
  O         7.0271925000        6.2700412000       24.1781387100
  O         5.6738863900        6.4310950400       11.0790959100
  O         6.2666545300        5.6767204300       17.6280294100
  O         6.4326612700        7.0268935300        4.5288010300
  O         9.1402002300        8.4706183500        1.8298522400
  O         3.5674091100        4.2291862200       14.9333763800
  O         4.2347565400        9.1401171400        8.3776571600
  O         8.4687652200        3.5613689300       21.4810086900
  O         3.5621879400        8.4705903700       24.3681987900
  O         9.1388848888        4.2233763140       11.2710502484
  O         8.4706943100        9.1398335300       17.8190171800
  O         4.2318096800        3.5621555200        4.7181911800
  O        10.6034450900       10.6656667600        1.6459960400
  O         2.0868990101        2.1070655155       14.8417118391
  O         2.0350343500       10.5861393900        8.1156265800
  O        10.6658027300        2.0968990400       21.2965832300
  O         2.0988637500       10.6657388300       24.5527106100
  O        10.2608946758        1.7812552433       11.7189723487
  O        10.6659774800       10.6018824600       18.0028592600
  O         2.0358741700        2.1019731600        4.8994763700
  O         8.2149478600       10.7695174200        2.7171826500
  O         4.4922364900        1.8675174600       15.8115166700
  O         1.9462056000        8.2272614400        9.2556770000
  O        10.7754949800        4.4849789000       22.3763414500
  O         4.4874486300       10.7696872500       23.4808232900
  O         8.1082640348        1.9676932732       10.3335653910
  O        10.7693067000        8.2142055200       16.9322323400
  O         1.9292989600        4.4866761800        3.8263852500
  O        10.6039183300        6.2700424500        1.6526128200
  O         2.0940740000        6.4224485600       14.7524306000
  O         6.4383378100       10.5971814300        8.2027990700
  O         6.2697103900        2.0975236100       21.3015877500
  O         2.0984804300        6.2700395200       24.5455045100
  O        10.6377699598        6.4012516213       11.4322349461
  O         6.2697644200       10.6018108100       17.9964828300
  O         6.4329216300        2.1003953900        4.8950790600
  O         8.2240566000        6.1827143100        2.7843502100
  O         4.4774244600        6.5205015300       15.8826331100
  O         6.5200444700        8.2220245000        9.3347998100
  O         6.1820737500        4.4790168100       22.4342021900
  O         4.4785807800        6.1825922200       23.4136637200
  O         8.2230099900        6.5173428100       10.3143916900
  O         6.1823837600        8.2237147300       16.8639931400
  O         6.5204091100        4.4793989800        3.7615190300
  O        -0.0000811100       10.4968698200       -0.0000101600
  O         0.0029942926        2.0954952635       13.1972067035
  O         2.2000085700        0.0054120400        6.5317484600
  O        10.4968808800       -0.0003231400       19.6489693000
  O        12.1164759500        8.4682696600        1.6535451100
  O         0.5044704832        4.2598480952       14.6649726599
  O         4.2502022200       12.1063349900        8.1167398400
  O         8.4681185100        0.5857988200       21.3025268200
  O         0.5859461300        8.4683694900       24.5445930600
  O        12.6828905645        4.4793074813       11.6090050141
  O         8.4680552500       12.1154525900       17.9959503800
  O         4.2357898100        0.5867474400        4.8943749500
  O         0.3392081300       10.7577293800        2.6188612900
  O        12.3516722364        2.0275098165       15.8139606045
  O         2.1152250162        0.2705220289        9.1614341380
  O        10.7578400400       12.3623177500       22.2682467800
  O        12.3629242100       10.7577384100       23.5790245000
  O         0.4117146254        1.5169182795       10.3781570881
  O        10.7532992500        0.3368438900       17.0300447100
  O         1.9442190800       12.3628778600        3.9262574100
  O         0.0000036300        6.4393722800       -0.0000602000
  O        -0.0096538980        6.5288763714       13.1675296372
  O         6.2727345900        0.0014434800        6.5405205500
  O         6.4392565100       -0.0002711600       19.6496620200
  O         0.3399161100        6.1796352800        2.6172760100
  O        12.3609863500        6.5213907400       15.7209215800
  O         6.5097066500        0.3306896100        9.1606721600
  O         6.1793846900       12.3613768200       22.2671296200
  O        12.3623869200        6.1801107000       23.5805909400
  O         0.3316245710        6.7721830638       10.4805369161
  O         6.1822763600        0.3355111200       17.0348710200
  O         6.5231611000       12.3615965000        3.9295164200
 Si         4.2883381800       10.0667807300        1.4686959700
 Si         8.4022365100        2.6461572800       14.5772457500
 Si         2.6383236200        4.3014082600        8.0060581000
 Si        10.0668380400        8.4135765800       21.1191197400
 Si         8.4144156700       10.0667847700       24.7293936000
 Si         4.2226296300        2.6365071800       11.6303295300
 Si        10.0472330000        4.3040274200       18.2061906700
 Si         2.6366178700        8.4123544500        5.0697185600
 Si         4.2883378100        6.8646312100        1.4248049500
 Si         8.4147375000        5.8411539100       14.5258438200
 Si         5.8213221800        4.3068798400        7.9532666800
 Si         6.8643534300        8.4143326100       21.0743806700
 Si         8.4141093100        6.8647139500       24.7733761000
 Si         4.2837693300        5.8387086800       11.6726970200
 Si         6.8547179000        4.2897965500       18.2261021600
 Si         5.8388050400        8.4143999400        5.1227592600
 Si         9.0898672800       10.0699506700        1.5532618900
 Si         3.6150153900        2.6240246700       14.6838045900
 Si         2.6403030400        9.0798500800        8.0796865400
 Si        10.0688228400        3.6093910600       21.2184830300
 Si         3.6124818600       10.0698877400       24.6451112200
 Si         8.9024844210        2.6159985155       11.5945299662
 Si        10.0699484000        9.0886068500       18.0966034500
 Si         2.6324150500        3.6137992800        4.9884177800
 Si         9.0894344500        6.8661342000        1.5963278700
 Si         3.6127133200        5.8344588900       14.6951869600
 Si         5.8386950700        9.0860399300        8.1446711300
 Si         6.8643031600        3.6123908700       21.2468168500
 Si         3.6130663700        6.8660541300       24.6019596200
 Si         9.0977204700        5.8439292800       11.5025516400
 Si         6.8661949800        9.0879048500       18.0526504800
 Si         5.8365347100        3.6136734600        4.9475131500
 Si        12.1198802100       10.0860568000        1.4663223000
 Si         0.5529393179        2.6209211137       14.5893552588
 Si         2.6421130300       12.0824174100        7.9591219300
 Si        10.0857313400        0.5807137800       21.1151706100
 Si         0.5822890600       10.0861122900       24.7322166600
 Sn        11.9873426884        2.6480398162       11.4482351882
 Si        10.0850134100       12.1169477100       18.1841030000
 Si         2.6180135400        0.5868203300        5.0716662300
 Si        12.1189366400        6.8517786000        1.4659966900
 Si         0.5704547100        5.8661253200       14.5504835700
 Si         5.8642362600       12.1085872700        7.9962792700
 Si         6.8514508200        0.5823016200       21.1157170400
 Si         0.5834115000        6.8518532900       24.7323550700
 Si        12.2298132452        6.0142419264       11.6915983956
 Si         6.8524940500       12.1153959200       18.1857836700
 Si         5.8529754000        0.5848021000        5.0798077500
 Si         1.8201930800       10.8826413700        3.2726085400
 Si        10.8510561300        1.8299545500       16.4047393400
 Si         1.8450676646        1.7491744820        9.7538719195
 Si        10.8822371000       10.8817062600       22.9238677600
 Si         6.7113372500       10.8742713500        3.3115902000
 Si         5.9930957500        1.8189876200       16.4182914000
 Si         1.8301162400        6.7341175000        9.8579602400
 Si        10.8748151900        5.9918067300       22.9630608200
 Si         5.9911220400       10.8737241500       22.8866186600
 Si         6.6138655000        1.8346190400        9.7480909300
 Si        10.8731472500        6.7094817500       16.3400099900
 Si         1.8275766600        5.9903571000        3.2340004500
 Si         6.6865966100        6.0168535300        3.2737766100
 Si         6.0147700000        6.6871733500       16.3729733300
 Si         6.6856632300        6.6854921700        9.8256179500
 Si         6.0159861900        6.0165422600       22.9239001600
  O         4.3137856200       10.4054859800       -0.1176776600
  O         4.3175021100        6.5269958300       -0.1659315100
  C         9.6955189650        7.2269390735        7.4499379889
  H         9.1078548151        7.7933634303        6.7176054525
  H        10.7514944915        7.5238155617        7.4271188070
  O         9.5410000000        5.7960000000        7.1770000000
  C        10.6360000000        4.6970000000        8.4060000000
  O        11.2510000000        3.2130000000        9.4940000000
  H        10.4129894681        5.3837585087        9.2113431025
  C        10.1840000000        3.2970000000        8.5330000000
  H         9.2034261901        3.1774731717        8.9846133291
  C        10.3405844922        2.3986157088        7.3225901248
  H        11.3111118747        2.5420979922        6.8370557016
  H         9.5275893104        2.5895615465        6.6096561792
  H        11.5579460824        4.8703627049        7.8521565900
 Cl        10.2230690450        0.6765338161        7.8100063196
  H         9.2897504917        7.3905677098        8.4518561981
  H         9.8580800580        5.6250982450        6.2703272493
     208
 i =        5, E =     -2389.0727885315
  O         4.2295705400        8.4630588900        1.7408644300
  O         8.4754611200        4.2457194200       14.8471531500
  O         4.2354119700        4.2455362300        8.2856182500
  O         8.4630264900        8.4726487800       21.3898488500
  O         8.4727083000        8.4631294300       24.4572182800
  O         4.2249430200        4.2401388900       11.3591956100
  O         8.4503618600        4.2370606100       17.9151663500
  O         4.2406955700        8.4727858200        4.8069091800
  O         8.1181370028        2.4487990453       12.9965738513
  O         2.2952144900        4.3202200100        6.4194053900
  O        10.4057907600        8.3884554500       19.5329940700
  O         8.3889160400       10.4056296900        0.1171929400
  O         4.2352907600        2.2919480400       13.2129773400
  O        10.4029500500        4.3222813900       19.7918426400
  O         2.2961806400        8.3789014000        6.6513897600
  O         2.9581242400       10.7491073600        2.1068276100
  O         9.7447068100        1.9540274100       15.1984083400
  O         1.9522444979        2.9637143618        8.6397334096
  O        10.7490487700        9.7443760900       21.7569270500
  O         9.7446412600       10.7490205700       24.0903331600
  O         2.9402756094        2.0215563885       10.9142892012
  O        10.6656988100        2.9586474800       17.5561408800
  O         1.9540059000        9.7452698400        4.4388676300
  O         5.6566781600       10.6676023100        2.0929973000
  O         7.0421178300        2.0337170800       15.1996231100
  O         2.0249472100        5.6574224100        8.6492884200
  O        10.6677190800        7.0441980300       21.7423470800
  O         7.0458743000       10.6678021800       24.1050361000
  O         5.5816863900        2.0285814900       10.9920585800
  O        10.6666341900        5.6545592300       17.5594293900
  O         2.0343872100        7.0425002200        4.4533508200
  O         8.3858447800        6.1733378200       12.9333165900
  O         6.1762129800        4.3241378400        6.3729325500
  O         6.5271112500        8.3846232600       19.4835087300
  O         8.3849691100        6.5270334200        0.1656932900
  O         4.3165301800        6.1749746500       13.2647425500
  O         6.5241184000        4.3173362700       19.8170214900
  O         6.1757301700        8.3837312600        6.7136301700
  O         2.9686776700        6.1833043800        2.0891908900
  O         9.7352449600        6.5201459700       15.1901243500
  O         6.4403214400        2.9428561600        8.5697243100
  O         6.1833159000        9.7342750400       21.7389782900
  O         9.7338341600        6.1836245200       24.1084193600
  O         2.9659510600        6.5195130700       11.0070662700
  O         6.1797797000        2.9677697500       17.5575220200
  O         6.5194007200        9.7346125400        4.4591110700
  O         5.6752205700        6.2702483600        2.0196921200
  O         7.0263487300        6.4333366800       15.1191343900
  O         6.4345589200        5.6739535800        8.5698098900
  O         6.2699755000        7.0270757300       21.6690293600
  O         7.0271925000        6.2700412000       24.1781387100
  O         5.6738863900        6.4310950400       11.0790959100
  O         6.2666545300        5.6767204300       17.6280294100
  O         6.4326612700        7.0268935300        4.5288010300
  O         9.1402002300        8.4706183500        1.8298522400
  O         3.5674091100        4.2291862200       14.9333763800
  O         4.2347565400        9.1401171400        8.3776571600
  O         8.4687652200        3.5613689300       21.4810086900
  O         3.5621879400        8.4705903700       24.3681987900
  O         9.1387797029        4.2266830716       11.2727070556
  O         8.4706943100        9.1398335300       17.8190171800
  O         4.2318096800        3.5621555200        4.7181911800
  O        10.6034450900       10.6656667600        1.6459960400
  O         2.0893937995        2.1065070100       14.8432936489
  O         2.0350343500       10.5861393900        8.1156265800
  O        10.6658027300        2.0968990400       21.2965832300
  O         2.0988637500       10.6657388300       24.5527106100
  O        10.2575516522        1.7796728719       11.7213211179
  O        10.6659774800       10.6018824600       18.0028592600
  O         2.0358741700        2.1019731600        4.8994763700
  O         8.2149478600       10.7695174200        2.7171826500
  O         4.4922364900        1.8675174600       15.8115166700
  O         1.9462056000        8.2272614400        9.2556770000
  O        10.7754949800        4.4849789000       22.3763414500
  O         4.4874486300       10.7696872500       23.4808232900
  O         8.1057466443        1.9703657076       10.3392014404
  O        10.7693067000        8.2142055200       16.9322323400
  O         1.9292989600        4.4866761800        3.8263852500
  O        10.6039183300        6.2700424500        1.6526128200
  O         2.0940740000        6.4224485600       14.7524306000
  O         6.4383378100       10.5971814300        8.2027990700
  O         6.2697103900        2.0975236100       21.3015877500
  O         2.0984804300        6.2700395200       24.5455045100
  O        10.6383384524        6.3946405678       11.4314152314
  O         6.2697644200       10.6018108100       17.9964828300
  O         6.4329216300        2.1003953900        4.8950790600
  O         8.2240566000        6.1827143100        2.7843502100
  O         4.4774244600        6.5205015300       15.8826331100
  O         6.5200444700        8.2220245000        9.3347998100
  O         6.1820737500        4.4790168100       22.4342021900
  O         4.4785807800        6.1825922200       23.4136637200
  O         8.2230099900        6.5173428100       10.3143916900
  O         6.1823837600        8.2237147300       16.8639931400
  O         6.5204091100        4.4793989800        3.7615190300
  O        -0.0000811100       10.4968698200       -0.0000101600
  O         0.0041296492        2.0885514579       13.2010521017
  O         2.2000085700        0.0054120400        6.5317484600
  O        10.4968808800       -0.0003231400       19.6489693000
  O        12.1164759500        8.4682696600        1.6535451100
  O         0.5045772832        4.2611241331       14.6653851663
  O         4.2502022200       12.1063349900        8.1167398400
  O         8.4681185100        0.5857988200       21.3025268200
  O         0.5859461300        8.4683694900       24.5445930600
  O        12.6816005819        4.4736644465       11.6095386015
  O         8.4680552500       12.1154525900       17.9959503800
  O         4.2357898100        0.5867474400        4.8943749500
  O         0.3392081300       10.7577293800        2.6188612900
  O        12.3514755888        2.0270980695       15.8165102070
  O         2.1151838233        0.2700229303        9.1608289700
  O        10.7578400400       12.3623177500       22.2682467800
  O        12.3629242100       10.7577384100       23.5790245000
  O         0.4095699511        1.5152206219       10.3799871813
  O        10.7532992500        0.3368438900       17.0300447100
  O         1.9442190800       12.3628778600        3.9262574100
  O         0.0000036300        6.4393722800       -0.0000602000
  O        -0.0100213866        6.5260670294       13.1649901785
  O         6.2727345900        0.0014434800        6.5405205500
  O         6.4392565100       -0.0002711600       19.6496620200
  O         0.3399161100        6.1796352800        2.6172760100
  O        12.3609863500        6.5213907400       15.7209215800
  O         6.5097066500        0.3306896100        9.1606721600
  O         6.1793846900       12.3613768200       22.2671296200
  O        12.3623869200        6.1801107000       23.5805909400
  O         0.3320589201        6.7708787157       10.4824043533
  O         6.1822763600        0.3355111200       17.0348710200
  O         6.5231611000       12.3615965000        3.9295164200
 Si         4.2883381800       10.0667807300        1.4686959700
 Si         8.4022365100        2.6461572800       14.5772457500
 Si         2.6383236200        4.3014082600        8.0060581000
 Si        10.0668380400        8.4135765800       21.1191197400
 Si         8.4144156700       10.0667847700       24.7293936000
 Si         4.2226296300        2.6365071800       11.6303295300
 Si        10.0472330000        4.3040274200       18.2061906700
 Si         2.6366178700        8.4123544500        5.0697185600
 Si         4.2883378100        6.8646312100        1.4248049500
 Si         8.4147375000        5.8411539100       14.5258438200
 Si         5.8213221800        4.3068798400        7.9532666800
 Si         6.8643534300        8.4143326100       21.0743806700
 Si         8.4141093100        6.8647139500       24.7733761000
 Si         4.2837693300        5.8387086800       11.6726970200
 Si         6.8547179000        4.2897965500       18.2261021600
 Si         5.8388050400        8.4143999400        5.1227592600
 Si         9.0898672800       10.0699506700        1.5532618900
 Si         3.6150153900        2.6240246700       14.6838045900
 Si         2.6403030400        9.0798500800        8.0796865400
 Si        10.0688228400        3.6093910600       21.2184830300
 Si         3.6124818600       10.0698877400       24.6451112200
 Si         8.9014193336        2.6183722506       11.5957545095
 Si        10.0699484000        9.0886068500       18.0966034500
 Si         2.6324150500        3.6137992800        4.9884177800
 Si         9.0894344500        6.8661342000        1.5963278700
 Si         3.6127133200        5.8344588900       14.6951869600
 Si         5.8386950700        9.0860399300        8.1446711300
 Si         6.8643031600        3.6123908700       21.2468168500
 Si         3.6130663700        6.8660541300       24.6019596200
 Si         9.0977204700        5.8439292800       11.5025516400
 Si         6.8661949800        9.0879048500       18.0526504800
 Si         5.8365347100        3.6136734600        4.9475131500
 Si        12.1198802100       10.0860568000        1.4663223000
 Si         0.5550310747        2.6213295953       14.5953502218
 Si         2.6421130300       12.0824174100        7.9591219300
 Si        10.0857313400        0.5807137800       21.1151706100
 Si         0.5822890600       10.0861122900       24.7322166600
 Sn        11.9863558587        2.6426246916       11.4511825897
 Si        10.0850134100       12.1169477100       18.1841030000
 Si         2.6180135400        0.5868203300        5.0716662300
 Si        12.1189366400        6.8517786000        1.4659966900
 Si         0.5704547100        5.8661253200       14.5504835700
 Si         5.8642362600       12.1085872700        7.9962792700
 Si         6.8514508200        0.5823016200       21.1157170400
 Si         0.5834115000        6.8518532900       24.7323550700
 Si        12.2299611947        6.0111553136       11.6908399605
 Si         6.8524940500       12.1153959200       18.1857836700
 Si         5.8529754000        0.5848021000        5.0798077500
 Si         1.8201930800       10.8826413700        3.2726085400
 Si        10.8510561300        1.8299545500       16.4047393400
 Si         1.8462928720        1.7509336817        9.7526766029
 Si        10.8822371000       10.8817062600       22.9238677600
 Si         6.7113372500       10.8742713500        3.3115902000
 Si         5.9930957500        1.8189876200       16.4182914000
 Si         1.8301162400        6.7341175000        9.8579602400
 Si        10.8748151900        5.9918067300       22.9630608200
 Si         5.9911220400       10.8737241500       22.8866186600
 Si         6.6138655000        1.8346190400        9.7480909300
 Si        10.8731472500        6.7094817500       16.3400099900
 Si         1.8275766600        5.9903571000        3.2340004500
 Si         6.6865966100        6.0168535300        3.2737766100
 Si         6.0147700000        6.6871733500       16.3729733300
 Si         6.6856632300        6.6854921700        9.8256179500
 Si         6.0159861900        6.0165422600       22.9239001600
  O         4.3137856200       10.4054859800       -0.1176776600
  O         4.3175021100        6.5269958300       -0.1659315100
  C         9.6964010423        7.2270681526        7.4483183224
  H         9.1077067257        7.7922873311        6.7159222123
  H        10.7522729749        7.5240299899        7.4252663608
  O         9.5410000000        5.7960000000        7.1770000000
  C        10.6360000000        4.6970000000        8.4060000000
  O        11.2510000000        3.2130000000        9.4940000000
  H        10.4100812888        5.3851926425        9.2100960482
  C        10.1840000000        3.2970000000        8.5330000000
  H         9.1938196531        3.1828186528        8.9723315096
  C        10.3432511658        2.3985016172        7.3241037828
  H        11.3145445541        2.5399882993        6.8374143882
  H         9.5289222136        2.5909962810        6.6108358241
  H        11.5616070156        4.8691128061        7.8590550634
 Cl        10.2216714005        0.6754322570        7.8083236658
  H         9.2919022187        7.3901287338        8.4504680980
  H         9.8556264269        5.6249270575        6.2693239814
     208
 i =        6, E =     -2389.0731138207
  O         4.2295705400        8.4630588900        1.7408644300
  O         8.4754611200        4.2457194200       14.8471531500
  O         4.2354119700        4.2455362300        8.2856182500
  O         8.4630264900        8.4726487800       21.3898488500
  O         8.4727083000        8.4631294300       24.4572182800
  O         4.2249430200        4.2401388900       11.3591956100
  O         8.4503618600        4.2370606100       17.9151663500
  O         4.2406955700        8.4727858200        4.8069091800
  O         8.1176037922        2.4495250314       12.9966193648
  O         2.2952144900        4.3202200100        6.4194053900
  O        10.4057907600        8.3884554500       19.5329940700
  O         8.3889160400       10.4056296900        0.1171929400
  O         4.2352907600        2.2919480400       13.2129773400
  O        10.4029500500        4.3222813900       19.7918426400
  O         2.2961806400        8.3789014000        6.6513897600
  O         2.9581242400       10.7491073600        2.1068276100
  O         9.7447068100        1.9540274100       15.1984083400
  O         1.9494719027        2.9630947874        8.6414254226
  O        10.7490487700        9.7443760900       21.7569270500
  O         9.7446412600       10.7490205700       24.0903331600
  O         2.9373907716        2.0224787202       10.9157740294
  O        10.6656988100        2.9586474800       17.5561408800
  O         1.9540059000        9.7452698400        4.4388676300
  O         5.6566781600       10.6676023100        2.0929973000
  O         7.0421178300        2.0337170800       15.1996231100
  O         2.0249472100        5.6574224100        8.6492884200
  O        10.6677190800        7.0441980300       21.7423470800
  O         7.0458743000       10.6678021800       24.1050361000
  O         5.5816863900        2.0285814900       10.9920585800
  O        10.6666341900        5.6545592300       17.5594293900
  O         2.0343872100        7.0425002200        4.4533508200
  O         8.3858447800        6.1733378200       12.9333165900
  O         6.1762129800        4.3241378400        6.3729325500
  O         6.5271112500        8.3846232600       19.4835087300
  O         8.3849691100        6.5270334200        0.1656932900
  O         4.3165301800        6.1749746500       13.2647425500
  O         6.5241184000        4.3173362700       19.8170214900
  O         6.1757301700        8.3837312600        6.7136301700
  O         2.9686776700        6.1833043800        2.0891908900
  O         9.7352449600        6.5201459700       15.1901243500
  O         6.4403214400        2.9428561600        8.5697243100
  O         6.1833159000        9.7342750400       21.7389782900
  O         9.7338341600        6.1836245200       24.1084193600
  O         2.9659510600        6.5195130700       11.0070662700
  O         6.1797797000        2.9677697500       17.5575220200
  O         6.5194007200        9.7346125400        4.4591110700
  O         5.6752205700        6.2702483600        2.0196921200
  O         7.0263487300        6.4333366800       15.1191343900
  O         6.4345589200        5.6739535800        8.5698098900
  O         6.2699755000        7.0270757300       21.6690293600
  O         7.0271925000        6.2700412000       24.1781387100
  O         5.6738863900        6.4310950400       11.0790959100
  O         6.2666545300        5.6767204300       17.6280294100
  O         6.4326612700        7.0268935300        4.5288010300
  O         9.1402002300        8.4706183500        1.8298522400
  O         3.5674091100        4.2291862200       14.9333763800
  O         4.2347565400        9.1401171400        8.3776571600
  O         8.4687652200        3.5613689300       21.4810086900
  O         3.5621879400        8.4705903700       24.3681987900
  O         9.1408481150        4.2264044551       11.2721434814
  O         8.4706943100        9.1398335300       17.8190171800
  O         4.2318096800        3.5621555200        4.7181911800
  O        10.6034450900       10.6656667600        1.6459960400
  O         2.0931317443        2.1054827332       14.8479096104
  O         2.0350343500       10.5861393900        8.1156265800
  O        10.6658027300        2.0968990400       21.2965832300
  O         2.0988637500       10.6657388300       24.5527106100
  O        10.2565289652        1.7800021466       11.7212245672
  O        10.6659774800       10.6018824600       18.0028592600
  O         2.0358741700        2.1019731600        4.8994763700
  O         8.2149478600       10.7695174200        2.7171826500
  O         4.4922364900        1.8675174600       15.8115166700
  O         1.9462056000        8.2272614400        9.2556770000
  O        10.7754949800        4.4849789000       22.3763414500
  O         4.4874486300       10.7696872500       23.4808232900
  O         8.1007879374        1.9762145117       10.3480089536
  O        10.7693067000        8.2142055200       16.9322323400
  O         1.9292989600        4.4866761800        3.8263852500
  O        10.6039183300        6.2700424500        1.6526128200
  O         2.0940740000        6.4224485600       14.7524306000
  O         6.4383378100       10.5971814300        8.2027990700
  O         6.2697103900        2.0975236100       21.3015877500
  O         2.0984804300        6.2700395200       24.5455045100
  O        10.6378805712        6.3771642648       11.4315037034
  O         6.2697644200       10.6018108100       17.9964828300
  O         6.4329216300        2.1003953900        4.8950790600
  O         8.2240566000        6.1827143100        2.7843502100
  O         4.4774244600        6.5205015300       15.8826331100
  O         6.5200444700        8.2220245000        9.3347998100
  O         6.1820737500        4.4790168100       22.4342021900
  O         4.4785807800        6.1825922200       23.4136637200
  O         8.2230099900        6.5173428100       10.3143916900
  O         6.1823837600        8.2237147300       16.8639931400
  O         6.5204091100        4.4793989800        3.7615190300
  O        -0.0000811100       10.4968698200       -0.0000101600
  O         0.0047967519        2.0744456971       13.2073347071
  O         2.2000085700        0.0054120400        6.5317484600
  O        10.4968808800       -0.0003231400       19.6489693000
  O        12.1164759500        8.4682696600        1.6535451100
  O         0.5050102304        4.2610030494       14.6668373836
  O         4.2502022200       12.1063349900        8.1167398400
  O         8.4681185100        0.5857988200       21.3025268200
  O         0.5859461300        8.4683694900       24.5445930600
  O        12.6817592946        4.4668867182       11.6095396970
  O         8.4680552500       12.1154525900       17.9959503800
  O         4.2357898100        0.5867474400        4.8943749500
  O         0.3392081300       10.7577293800        2.6188612900
  O        12.3535562474        2.0270312066       15.8221986115
  O         2.1149928407        0.2696537074        9.1601560822
  O        10.7578400400       12.3623177500       22.2682467800
  O        12.3629242100       10.7577384100       23.5790245000
  O         0.4124102865        1.5142355410       10.3839854027
  O        10.7532992500        0.3368438900       17.0300447100
  O         1.9442190800       12.3628778600        3.9262574100
  O         0.0000036300        6.4393722800       -0.0000602000
  O        -0.0086631062        6.5205131905       13.1646971698
  O         6.2727345900        0.0014434800        6.5405205500
  O         6.4392565100       -0.0002711600       19.6496620200
  O         0.3399161100        6.1796352800        2.6172760100
  O        12.3609863500        6.5213907400       15.7209215800
  O         6.5097066500        0.3306896100        9.1606721600
  O         6.1793846900       12.3613768200       22.2671296200
  O        12.3623869200        6.1801107000       23.5805909400
  O         0.3346800193        6.7697391102       10.4837196603
  O         6.1822763600        0.3355111200       17.0348710200
  O         6.5231611000       12.3615965000        3.9295164200
 Si         4.2883381800       10.0667807300        1.4686959700
 Si         8.4022365100        2.6461572800       14.5772457500
 Si         2.6383236200        4.3014082600        8.0060581000
 Si        10.0668380400        8.4135765800       21.1191197400
 Si         8.4144156700       10.0667847700       24.7293936000
 Si         4.2226296300        2.6365071800       11.6303295300
 Si        10.0472330000        4.3040274200       18.2061906700
 Si         2.6366178700        8.4123544500        5.0697185600
 Si         4.2883378100        6.8646312100        1.4248049500
 Si         8.4147375000        5.8411539100       14.5258438200
 Si         5.8213221800        4.3068798400        7.9532666800
 Si         6.8643534300        8.4143326100       21.0743806700
 Si         8.4141093100        6.8647139500       24.7733761000
 Si         4.2837693300        5.8387086800       11.6726970200
 Si         6.8547179000        4.2897965500       18.2261021600
 Si         5.8388050400        8.4143999400        5.1227592600
 Si         9.0898672800       10.0699506700        1.5532618900
 Si         3.6150153900        2.6240246700       14.6838045900
 Si         2.6403030400        9.0798500800        8.0796865400
 Si        10.0688228400        3.6093910600       21.2184830300
 Si         3.6124818600       10.0698877400       24.6451112200
 Si         8.9025943268        2.6231670631       11.5945646642
 Si        10.0699484000        9.0886068500       18.0966034500
 Si         2.6324150500        3.6137992800        4.9884177800
 Si         9.0894344500        6.8661342000        1.5963278700
 Si         3.6127133200        5.8344588900       14.6951869600
 Si         5.8386950700        9.0860399300        8.1446711300
 Si         6.8643031600        3.6123908700       21.2468168500
 Si         3.6130663700        6.8660541300       24.6019596200
 Si         9.0977204700        5.8439292800       11.5025516400
 Si         6.8661949800        9.0879048500       18.0526504800
 Si         5.8365347100        3.6136734600        4.9475131500
 Si        12.1198802100       10.0860568000        1.4663223000
 Si         0.5556029783        2.6179927643       14.5965710745
 Si         2.6421130300       12.0824174100        7.9591219300
 Si        10.0857313400        0.5807137800       21.1151706100
 Si         0.5822890600       10.0861122900       24.7322166600
 Sn        11.9804132350        2.6329322498       11.4529831738
 Si        10.0850134100       12.1169477100       18.1841030000
 Si         2.6180135400        0.5868203300        5.0716662300
 Si        12.1189366400        6.8517786000        1.4659966900
 Si         0.5704547100        5.8661253200       14.5504835700
 Si         5.8642362600       12.1085872700        7.9962792700
 Si         6.8514508200        0.5823016200       21.1157170400
 Si         0.5834115000        6.8518532900       24.7323550700
 Si        12.2307195410        6.0063220002       11.6895024037
 Si         6.8524940500       12.1153959200       18.1857836700
 Si         5.8529754000        0.5848021000        5.0798077500
 Si         1.8201930800       10.8826413700        3.2726085400
 Si        10.8510561300        1.8299545500       16.4047393400
 Si         1.8431452697        1.7503808189        9.7533136256
 Si        10.8822371000       10.8817062600       22.9238677600
 Si         6.7113372500       10.8742713500        3.3115902000
 Si         5.9930957500        1.8189876200       16.4182914000
 Si         1.8301162400        6.7341175000        9.8579602400
 Si        10.8748151900        5.9918067300       22.9630608200
 Si         5.9911220400       10.8737241500       22.8866186600
 Si         6.6138655000        1.8346190400        9.7480909300
 Si        10.8731472500        6.7094817500       16.3400099900
 Si         1.8275766600        5.9903571000        3.2340004500
 Si         6.6865966100        6.0168535300        3.2737766100
 Si         6.0147700000        6.6871733500       16.3729733300
 Si         6.6856632300        6.6854921700        9.8256179500
 Si         6.0159861900        6.0165422600       22.9239001600
  O         4.3137856200       10.4054859800       -0.1176776600
  O         4.3175021100        6.5269958300       -0.1659315100
  C         9.6981947457        7.2282779450        7.4457411169
  H         9.1078840157        7.7901654680        6.7127348964
  H        10.7538679838        7.5239794205        7.4201505283
  O         9.5410000000        5.7960000000        7.1770000000
  C        10.6360000000        4.6970000000        8.4060000000
  O        11.2510000000        3.2130000000        9.4940000000
  H        10.4037394946        5.3868435588        9.2074079088
  C        10.1840000000        3.2970000000        8.5330000000
  H         9.1813533487        3.1923705648        8.9518602266
  C        10.3470061706        2.3970093524        7.3254746192
  H        11.3215158822        2.5358203747        6.8387557326
  H         9.5328012939        2.5937244767        6.6117461866
  H        11.5689146132        4.8677470539        7.8714611570
 Cl        10.2188759457        0.6745727940        7.8051101941
  H         9.2954684580        7.3902754433        8.4485073876
  H         9.8500603640        5.6238325209        6.2681741076
     208
 i =        7, E =     39371.8739128439
  O         4.2295705400        8.4630588900        1.7408644300
  O         8.4754611200        4.2457194200       14.8471531500
  O         4.2354119700        4.2455362300        8.2856182500
  O         8.4630264900        8.4726487800       21.3898488500
  O         8.4727083000        8.4631294300       24.4572182800
  O         4.2249430200        4.2401388900       11.3591956100
  O         8.4503618600        4.2370606100       17.9151663500
  O         4.2406955700        8.4727858200        4.8069091800
  O        22.1945623308       26.8284389309     -160.0338414759
  O         2.2952144900        4.3202200100        6.4194053900
  O        10.4057907600        8.3884554500       19.5329940700
  O         8.3889160400       10.4056296900        0.1171929400
  O         4.2352907600        2.2919480400       13.2129773400
  O        10.4029500500        4.3222813900       19.7918426400
  O         2.2961806400        8.3789014000        6.6513897600
  O         2.9581242400       10.7491073600        2.1068276100
  O         9.7447068100        1.9540274100       15.1984083400
  O       158.4479801581      -12.1852674681      169.5277172745
  O        10.7490487700        9.7443760900       21.7569270500
  O         9.7446412600       10.7490205700       24.0903331600
  O        38.5878435556       81.3929792744     -150.0666990049
  O        10.6656988100        2.9586474800       17.5561408800
  O         1.9540059000        9.7452698400        4.4388676300
  O         5.6566781600       10.6676023100        2.0929973000
  O         7.0421178300        2.0337170800       15.1996231100
  O         2.0249472100        5.6574224100        8.6492884200
  O        10.6677190800        7.0441980300       21.7423470800
  O         7.0458743000       10.6678021800       24.1050361000
  O         5.5816863900        2.0285814900       10.9920585800
  O        10.6666341900        5.6545592300       17.5594293900
  O         2.0343872100        7.0425002200        4.4533508200
  O         8.3858447800        6.1733378200       12.9333165900
  O         6.1762129800        4.3241378400        6.3729325500
  O         6.5271112500        8.3846232600       19.4835087300
  O         8.3849691100        6.5270334200        0.1656932900
  O         4.3165301800        6.1749746500       13.2647425500
  O         6.5241184000        4.3173362700       19.8170214900
  O         6.1757301700        8.3837312600        6.7136301700
  O         2.9686776700        6.1833043800        2.0891908900
  O         9.7352449600        6.5201459700       15.1901243500
  O         6.4403214400        2.9428561600        8.5697243100
  O         6.1833159000        9.7342750400       21.7389782900
  O         9.7338341600        6.1836245200       24.1084193600
  O         2.9659510600        6.5195130700       11.0070662700
  O         6.1797797000        2.9677697500       17.5575220200
  O         6.5194007200        9.7346125400        4.4591110700
  O         5.6752205700        6.2702483600        2.0196921200
  O         7.0263487300        6.4333366800       15.1191343900
  O         6.4345589200        5.6739535800        8.5698098900
  O         6.2699755000        7.0270757300       21.6690293600
  O         7.0271925000        6.2700412000       24.1781387100
  O         5.6738863900        6.4310950400       11.0790959100
  O         6.2666545300        5.6767204300       17.6280294100
  O         6.4326612700        7.0268935300        4.5288010300
  O         9.1402002300        8.4706183500        1.8298522400
  O         3.5674091100        4.2291862200       14.9333763800
  O         4.2347565400        9.1401171400        8.3776571600
  O         8.4687652200        3.5613689300       21.4810086900
  O         3.5621879400        8.4705903700       24.3681987900
  O       -58.1080563771       14.1488906798      161.2018979550
  O         8.4706943100        9.1398335300       17.8190171800
  O         4.2318096800        3.5621555200        4.7181911800
  O        10.6034450900       10.6656667600        1.6459960400
  O         2.4653190776        0.8862199954       -6.0724990910
  O         2.0350343500       10.5861393900        8.1156265800
  O        10.6658027300        2.0968990400       21.2965832300
  O         2.0988637500       10.6657388300       24.5527106100
  O       -81.3715529331      191.5555224138      -61.1165295011
  O        10.6659774800       10.6018824600       18.0028592600
  O         2.0358741700        2.1019731600        4.8994763700
  O         8.2149478600       10.7695174200        2.7171826500
  O         4.4922364900        1.8675174600       15.8115166700
  O         1.9462056000        8.2272614400        9.2556770000
  O        10.7754949800        4.4849789000       22.3763414500
  O         4.4874486300       10.7696872500       23.4808232900
  O      -208.3379172136      159.4959870470      142.0158200318
  O        10.7693067000        8.2142055200       16.9322323400
  O         1.9292989600        4.4866761800        3.8263852500
  O        10.6039183300        6.2700424500        1.6526128200
  O         2.0940740000        6.4224485600       14.7524306000
  O         6.4383378100       10.5971814300        8.2027990700
  O         6.2697103900        2.0975236100       21.3015877500
  O         2.0984804300        6.2700395200       24.5455045100
  O       -13.9608466560     -178.7285112742       85.2131892892
  O         6.2697644200       10.6018108100       17.9964828300
  O         6.4329216300        2.1003953900        4.8950790600
  O         8.2240566000        6.1827143100        2.7843502100
  O         4.4774244600        6.5205015300       15.8826331100
  O         6.5200444700        8.2220245000        9.3347998100
  O         6.1820737500        4.4790168100       22.4342021900
  O         4.4785807800        6.1825922200       23.4136637200
  O         8.2230099900        6.5173428100       10.3143916900
  O         6.1823837600        8.2237147300       16.8639931400
  O         6.5204091100        4.4793989800        3.7615190300
  O        -0.0000811100       10.4968698200       -0.0000101600
  O        15.2514955617        7.1085753312      -56.6498710455
  O         2.2000085700        0.0054120400        6.5317484600
  O        10.4968808800       -0.0003231400       19.6489693000
  O        12.1164759500        8.4682696600        1.6535451100
  O         0.4704337945        4.2435629105      -10.9173856674
  O         4.2502022200       12.1063349900        8.1167398400
  O         8.4681185100        0.5857988200       21.3025268200
  O         0.5859461300        8.4683694900       24.5445930600
  O      -118.7691512686      108.7037756236      -11.5641594759
  O         8.4680552500       12.1154525900       17.9959503800
  O         4.2357898100        0.5867474400        4.8943749500
  O         0.3392081300       10.7577293800        2.6188612900
  O        14.6182207706        1.4737680209       -2.8544368145
  O        56.2791790109      218.9370638770      -90.2023465007
  O        10.7578400400       12.3623177500       22.2682467800
  O        12.3629242100       10.7577384100       23.5790245000
  O       272.2602419147      220.6009105872      -49.1006089770
  O        10.7532992500        0.3368438900       17.0300447100
  O         1.9442190800       12.3628778600        3.9262574100
  O         0.0000036300        6.4393722800       -0.0000602000
  O        27.3615625655       16.5952881050      -59.0016747249
  O         6.2727345900        0.0014434800        6.5405205500
  O         6.4392565100       -0.0002711600       19.6496620200
  O         0.3399161100        6.1796352800        2.6172760100
  O        12.3609863500        6.5213907400       15.7209215800
  O         6.5097066500        0.3306896100        9.1606721600
  O         6.1793846900       12.3613768200       22.2671296200
  O        12.3623869200        6.1801107000       23.5805909400
  O       222.1360833641     -196.4594557504      116.4517464514
  O         6.1822763600        0.3355111200       17.0348710200
  O         6.5231611000       12.3615965000        3.9295164200
 Si         4.2883381800       10.0667807300        1.4686959700
 Si         8.4022365100        2.6461572800       14.5772457500
 Si         2.6383236200        4.3014082600        8.0060581000
 Si        10.0668380400        8.4135765800       21.1191197400
 Si         8.4144156700       10.0667847700       24.7293936000
 Si         4.2226296300        2.6365071800       11.6303295300
 Si        10.0472330000        4.3040274200       18.2061906700
 Si         2.6366178700        8.4123544500        5.0697185600
 Si         4.2883378100        6.8646312100        1.4248049500
 Si         8.4147375000        5.8411539100       14.5258438200
 Si         5.8213221800        4.3068798400        7.9532666800
 Si         6.8643534300        8.4143326100       21.0743806700
 Si         8.4141093100        6.8647139500       24.7733761000
 Si         4.2837693300        5.8387086800       11.6726970200
 Si         6.8547179000        4.2897965500       18.2261021600
 Si         5.8388050400        8.4143999400        5.1227592600
 Si         9.0898672800       10.0699506700        1.5532618900
 Si         3.6150153900        2.6240246700       14.6838045900
 Si         2.6403030400        9.0798500800        8.0796865400
 Si        10.0688228400        3.6093910600       21.2184830300
 Si         3.6124818600       10.0698877400       24.6451112200
 Si        88.9544712318       46.1544693686     -270.7195907701
 Si        10.0699484000        9.0886068500       18.0966034500
 Si         2.6324150500        3.6137992800        4.9884177800
 Si         9.0894344500        6.8661342000        1.5963278700
 Si         3.6127133200        5.8344588900       14.6951869600
 Si         5.8386950700        9.0860399300        8.1446711300
 Si         6.8643031600        3.6123908700       21.2468168500
 Si         3.6130663700        6.8660541300       24.6019596200
 Si         9.0977204700        5.8439292800       11.5025516400
 Si         6.8661949800        9.0879048500       18.0526504800
 Si         5.8365347100        3.6136734600        4.9475131500
 Si        12.1198802100       10.0860568000        1.4663223000
 Si         3.7777633403        3.4123561268       -9.9321839501
 Si         2.6421130300       12.0824174100        7.9591219300
 Si        10.0857313400        0.5807137800       21.1151706100
 Si         0.5822890600       10.0861122900       24.7322166600
 Sn       -15.8571536888       45.1800433973     -174.4842344648
 Si        10.0850134100       12.1169477100       18.1841030000
 Si         2.6180135400        0.5868203300        5.0716662300
 Si        12.1189366400        6.8517786000        1.4659966900
 Si         0.5704547100        5.8661253200       14.5504835700
 Si         5.8642362600       12.1085872700        7.9962792700
 Si         6.8514508200        0.5823016200       21.1157170400
 Si         0.5834115000        6.8518532900       24.7323550700
 Si       -41.5360162679      -21.0634734102     -269.8944265560
 Si         6.8524940500       12.1153959200       18.1857836700
 Si         5.8529754000        0.5848021000        5.0798077500
 Si         1.8201930800       10.8826413700        3.2726085400
 Si        10.8510561300        1.8299545500       16.4047393400
 Si       -26.8905033916      -38.8113948453      100.7842183024
 Si        10.8822371000       10.8817062600       22.9238677600
 Si         6.7113372500       10.8742713500        3.3115902000
 Si         5.9930957500        1.8189876200       16.4182914000
 Si         1.8301162400        6.7341175000        9.8579602400
 Si        10.8748151900        5.9918067300       22.9630608200
 Si         5.9911220400       10.8737241500       22.8866186600
 Si         6.6138655000        1.8346190400        9.7480909300
 Si        10.8731472500        6.7094817500       16.3400099900
 Si         1.8275766600        5.9903571000        3.2340004500
 Si         6.6865966100        6.0168535300        3.2737766100
 Si         6.0147700000        6.6871733500       16.3729733300
 Si         6.6856632300        6.6854921700        9.8256179500
 Si         6.0159861900        6.0165422600       22.9239001600
  O         4.3137856200       10.4054859800       -0.1176776600
  O         4.3175021100        6.5269958300       -0.1659315100
  C         8.1159839390      -12.5454064499       31.7047668548
  H         7.8353320945        8.8261980589        9.9411334238
  H        12.8033033513        6.3285725783       12.0833469782
  O         9.5410000000        5.7960000000        7.1770000000
  C        10.6360000000        4.6970000000        8.4060000000
  O        11.2510000000        3.2130000000        9.4940000000
  H        75.0952022408     -215.5266892171     -200.6850025773
  C        10.1840000000        3.2970000000        8.5330000000
  H       323.5016309018       -6.7584870855      -58.9763397648
  C        -3.4722761853      109.7257622493      194.1002503946
  H        10.7579767742        3.4175935163       19.7170399316
  H         5.5182547401        4.7468216805       16.3022717439
  H       -35.7430621008      -23.1089662154      121.2595689590
 Cl         8.4448002798       44.9018376935       11.9250763246
  H       -12.1926803283      -15.1292074027       29.2513899419
  H         9.9601719090        4.6294299906        8.8027562526
     208
 i =        8, E =     38963.6616999922
  O         4.2295705400        8.4630588900        1.7408644300
  O         8.4754611200        4.2457194200       14.8471531500
  O         4.2354119700        4.2455362300        8.2856182500
  O         8.4630264900        8.4726487800       21.3898488500
  O         8.4727083000        8.4631294300       24.4572182800
  O         4.2249430200        4.2401388900       11.3591956100
  O         8.4503618600        4.2370606100       17.9151663500
  O         4.2406955700        8.4727858200        4.8069091800
  O         7.3307154340        0.0086507275       27.2578340927
  O         2.2952144900        4.3202200100        6.4194053900
  O        10.4057907600        8.3884554500       19.5329940700
  O         8.3889160400       10.4056296900        0.1171929400
  O         4.2352907600        2.2919480400       13.2129773400
  O        10.4029500500        4.3222813900       19.7918426400
  O         2.2961806400        8.3789014000        6.6513897600
  O         2.9581242400       10.7491073600        2.1068276100
  O         9.7447068100        1.9540274100       15.1984083400
  O         5.6456883393        1.4497000110       21.3046976404
  O        10.7490487700        9.7443760900       21.7569270500
  O         9.7446412600       10.7490205700       24.0903331600
  O         3.9307190399        2.2427360421       20.4398838961
  O        10.6656988100        2.9586474800       17.5561408800
  O         1.9540059000        9.7452698400        4.4388676300
  O         5.6566781600       10.6676023100        2.0929973000
  O         7.0421178300        2.0337170800       15.1996231100
  O         2.0249472100        5.6574224100        8.6492884200
  O        10.6677190800        7.0441980300       21.7423470800
  O         7.0458743000       10.6678021800       24.1050361000
  O         5.5816863900        2.0285814900       10.9920585800
  O        10.6666341900        5.6545592300       17.5594293900
  O         2.0343872100        7.0425002200        4.4533508200
  O         8.3858447800        6.1733378200       12.9333165900
  O         6.1762129800        4.3241378400        6.3729325500
  O         6.5271112500        8.3846232600       19.4835087300
  O         8.3849691100        6.5270334200        0.1656932900
  O         4.3165301800        6.1749746500       13.2647425500
  O         6.5241184000        4.3173362700       19.8170214900
  O         6.1757301700        8.3837312600        6.7136301700
  O         2.9686776700        6.1833043800        2.0891908900
  O         9.7352449600        6.5201459700       15.1901243500
  O         6.4403214400        2.9428561600        8.5697243100
  O         6.1833159000        9.7342750400       21.7389782900
  O         9.7338341600        6.1836245200       24.1084193600
  O         2.9659510600        6.5195130700       11.0070662700
  O         6.1797797000        2.9677697500       17.5575220200
  O         6.5194007200        9.7346125400        4.4591110700
  O         5.6752205700        6.2702483600        2.0196921200
  O         7.0263487300        6.4333366800       15.1191343900
  O         6.4345589200        5.6739535800        8.5698098900
  O         6.2699755000        7.0270757300       21.6690293600
  O         7.0271925000        6.2700412000       24.1781387100
  O         5.6738863900        6.4310950400       11.0790959100
  O         6.2666545300        5.6767204300       17.6280294100
  O         6.4326612700        7.0268935300        4.5288010300
  O         9.1402002300        8.4706183500        1.8298522400
  O         3.5674091100        4.2291862200       14.9333763800
  O         4.2347565400        9.1401171400        8.3776571600
  O         8.4687652200        3.5613689300       21.4810086900
  O         3.5621879400        8.4705903700       24.3681987900
  O         6.6005494493        4.6765876626       33.3952657430
  O         8.4706943100        9.1398335300       17.8190171800
  O         4.2318096800        3.5621555200        4.7181911800
  O        10.6034450900       10.6656667600        1.6459960400
  O         1.8220452634       -1.3634095493       34.7220357618
  O         2.0350343500       10.5861393900        8.1156265800
  O        10.6658027300        2.0968990400       21.2965832300
  O         2.0988637500       10.6657388300       24.5527106100
  O         6.9501120294        4.0021744935       27.6127676925
  O        10.6659774800       10.6018824600       18.0028592600
  O         2.0358741700        2.1019731600        4.8994763700
  O         8.2149478600       10.7695174200        2.7171826500
  O         4.4922364900        1.8675174600       15.8115166700
  O         1.9462056000        8.2272614400        9.2556770000
  O        10.7754949800        4.4849789000       22.3763414500
  O         4.4874486300       10.7696872500       23.4808232900
  O         1.5622758665        4.6139507828       28.7095879161
  O        10.7693067000        8.2142055200       16.9322323400
  O         1.9292989600        4.4866761800        3.8263852500
  O        10.6039183300        6.2700424500        1.6526128200
  O         2.0940740000        6.4224485600       14.7524306000
  O         6.4383378100       10.5971814300        8.2027990700
  O         6.2697103900        2.0975236100       21.3015877500
  O         2.0984804300        6.2700395200       24.5455045100
  O         8.8848138918        3.5168755625       30.8153619370
  O         6.2697644200       10.6018108100       17.9964828300
  O         6.4329216300        2.1003953900        4.8950790600
  O         8.2240566000        6.1827143100        2.7843502100
  O         4.4774244600        6.5205015300       15.8826331100
  O         6.5200444700        8.2220245000        9.3347998100
  O         6.1820737500        4.4790168100       22.4342021900
  O         4.4785807800        6.1825922200       23.4136637200
  O         8.2230099900        6.5173428100       10.3143916900
  O         6.1823837600        8.2237147300       16.8639931400
  O         6.5204091100        4.4793989800        3.7615190300
  O        -0.0000811100       10.4968698200       -0.0000101600
  O        -2.4779880662       -1.6316163500       30.3131385780
  O         2.2000085700        0.0054120400        6.5317484600
  O        10.4968808800       -0.0003231400       19.6489693000
  O        12.1164759500        8.4682696600        1.6535451100
  O        -4.2337944665        4.2030171583       36.3358249804
  O         4.2502022200       12.1063349900        8.1167398400
  O         8.4681185100        0.5857988200       21.3025268200
  O         0.5859461300        8.4683694900       24.5445930600
  O         7.2605447063        7.5755323630       26.9266526694
  O         8.4680552500       12.1154525900       17.9959503800
  O         4.2357898100        0.5867474400        4.8943749500
  O         0.3392081300       10.7577293800        2.6188612900
  O       -52.9305509303      -16.7942612575      108.9145525093
  O         2.2701185987        5.8860290869       16.4694964523
  O        10.7578400400       12.3623177500       22.2682467800
  O        12.3629242100       10.7577384100       23.5790245000
  O         7.8113924766        5.9538261876       21.5452208904
  O        10.7532992500        0.3368438900       17.0300447100
  O         1.9442190800       12.3628778600        3.9262574100
  O         0.0000036300        6.4393722800       -0.0000602000
  O        -1.9989482742       11.1995398533       30.9508144764
  O         6.2727345900        0.0014434800        6.5405205500
  O         6.4392565100       -0.0002711600       19.6496620200
  O         0.3399161100        6.1796352800        2.6172760100
  O        12.3609863500        6.5213907400       15.7209215800
  O         6.5097066500        0.3306896100        9.1606721600
  O         6.1793846900       12.3613768200       22.2671296200
  O        12.3623869200        6.1801107000       23.5805909400
  O         6.1471865858        2.8172667355       26.9041998197
  O         6.1822763600        0.3355111200       17.0348710200
  O         6.5231611000       12.3615965000        3.9295164200
 Si         4.2883381800       10.0667807300        1.4686959700
 Si         8.4022365100        2.6461572800       14.5772457500
 Si         2.6383236200        4.3014082600        8.0060581000
 Si        10.0668380400        8.4135765800       21.1191197400
 Si         8.4144156700       10.0667847700       24.7293936000
 Si         4.2226296300        2.6365071800       11.6303295300
 Si        10.0472330000        4.3040274200       18.2061906700
 Si         2.6366178700        8.4123544500        5.0697185600
 Si         4.2883378100        6.8646312100        1.4248049500
 Si         8.4147375000        5.8411539100       14.5258438200
 Si         5.8213221800        4.3068798400        7.9532666800
 Si         6.8643534300        8.4143326100       21.0743806700
 Si         8.4141093100        6.8647139500       24.7733761000
 Si         4.2837693300        5.8387086800       11.6726970200
 Si         6.8547179000        4.2897965500       18.2261021600
 Si         5.8388050400        8.4143999400        5.1227592600
 Si         9.0898672800       10.0699506700        1.5532618900
 Si         3.6150153900        2.6240246700       14.6838045900
 Si         2.6403030400        9.0798500800        8.0796865400
 Si        10.0688228400        3.6093910600       21.2184830300
 Si         3.6124818600       10.0698877400       24.6451112200
 Si        11.9926564680        2.5797182310       12.6156579410
 Si        10.0699484000        9.0886068500       18.0966034500
 Si         2.6324150500        3.6137992800        4.9884177800
 Si         9.0894344500        6.8661342000        1.5963278700
 Si         3.6127133200        5.8344588900       14.6951869600
 Si         5.8386950700        9.0860399300        8.1446711300
 Si         6.8643031600        3.6123908700       21.2468168500
 Si         3.6130663700        6.8660541300       24.6019596200
 Si         9.0977204700        5.8439292800       11.5025516400
 Si         6.8661949800        9.0879048500       18.0526504800
 Si         5.8365347100        3.6136734600        4.9475131500
 Si        12.1198802100       10.0860568000        1.4663223000
 Si        -3.3718546412        3.3469604496       26.9928775430
 Si         2.6421130300       12.0824174100        7.9591219300
 Si        10.0857313400        0.5807137800       21.1151706100
 Si         0.5822890600       10.0861122900       24.7322166600
 Sn        10.0703114001        2.6144198804       15.9098720456
 Si        10.0850134100       12.1169477100       18.1841030000
 Si         2.6180135400        0.5868203300        5.0716662300
 Si        12.1189366400        6.8517786000        1.4659966900
 Si         0.5704547100        5.8661253200       14.5504835700
 Si         5.8642362600       12.1085872700        7.9962792700
 Si         6.8514508200        0.5823016200       21.1157170400
 Si         0.5834115000        6.8518532900       24.7323550700
 Si         8.9973361658        6.7329529299       12.5866433713
 Si         6.8524940500       12.1153959200       18.1857836700
 Si         5.8529754000        0.5848021000        5.0798077500
 Si         1.8201930800       10.8826413700        3.2726085400
 Si        10.8510561300        1.8299545500       16.4047393400
 Si         0.0387474789       -0.8782906800       20.4778119639
 Si        10.8822371000       10.8817062600       22.9238677600
 Si         6.7113372500       10.8742713500        3.3115902000
 Si         5.9930957500        1.8189876200       16.4182914000
 Si         1.8301162400        6.7341175000        9.8579602400
 Si        10.8748151900        5.9918067300       22.9630608200
 Si         5.9911220400       10.8737241500       22.8866186600
 Si         6.6138655000        1.8346190400        9.7480909300
 Si        10.8731472500        6.7094817500       16.3400099900
 Si         1.8275766600        5.9903571000        3.2340004500
 Si         6.6865966100        6.0168535300        3.2737766100
 Si         6.0147700000        6.6871733500       16.3729733300
 Si         6.6856632300        6.6854921700        9.8256179500
 Si         6.0159861900        6.0165422600       22.9239001600
  O         4.3137856200       10.4054859800       -0.1176776600
  O         4.3175021100        6.5269958300       -0.1659315100
  C        10.6439917263        8.8536495903       11.0942637596
  H         9.1246486132        8.4384989432        6.8320649674
  H        11.4304778878        8.0463885987        8.2329633812
  O         9.5410000000        5.7960000000        7.1770000000
  C        10.6360000000        4.6970000000        8.4060000000
  O        11.2510000000        3.2130000000        9.4940000000
  H        12.7541404666       -2.0565478400        3.3164938227
  C        10.1840000000        3.2970000000        8.5330000000
  H        20.1886780125        2.6501464912        7.8165222077
  C        10.1231675867        5.3392395900       14.7007840693
  H        11.7447602541        2.4320327381        7.0360181546
  H         9.1728282531        2.5872447704        6.4853093776
  H        10.3517946783        4.0818983823       12.3977516548
 Cl        10.6118658648       -1.5773453164       13.5107498661
  H         8.6146168285        7.2000105837       10.9009328547
  H        10.2956023895        5.3798825430        5.3469786109
