     144
 i =        1, E =     -1029.2522464294
  N         4.8674792025        9.5815051802       -0.0162620210
  N        12.1982522705        3.5496883081       -0.0356844418
  N        13.1812146638        9.8773805105       -0.0235788338
  N         3.8622658039        3.1959533632       -0.0091570177
  N         5.7554443568        7.4245037483       -0.0160577375
  N        11.3020256758        5.6501480380       -0.0238563133
  N        14.0752463539       11.9770717747       -0.0291432110
  N         2.9751710193        1.0988314908       -0.0044120760
  N         0.1819910113       10.1113815979       -0.0115596379
  N        16.8779850617        2.9022230324       -0.0207981176
  N         8.5029054815        9.2892673774       -0.0139718897
  N         8.5552195429        3.7858894581       -0.0172802542
  N         2.5206818996        9.7980181459       -0.0136417520
  N        14.6572214794        3.2157040936       -0.0230311634
  N        10.8410488264        9.6030920420       -0.0147235601
  N         6.1928555104        3.4620892265       -0.0109026333
  N        15.5392243304        8.1918731187       -0.0141584838
  N         1.5236072142        4.8696555009       -0.0180193885
  N         7.2274703884       11.2066516539       -0.0003993790
  N         9.8176207353        1.8878305912       -0.0158002095
  N         1.1604784208        7.8934545612       -0.0135112175
  N        15.8963477698        5.1755793023       -0.0135859240
  N         9.4798689794       11.5043914205       -0.0078759505
  N         7.4277939393        1.5580370668       -0.0018282661
  N         3.9693897412       11.6410014398       -0.0124409944
  N        13.0891012299        1.4348522966       -0.0394934244
  N        12.2962941194        7.7619051698       -0.0203966431
  N         4.7593887078        5.3144795160       -0.0126596449
  N         3.4302580399        7.6187483342       -0.0144728239
  N        13.6284950661        5.4569120690       -0.0136765111
  N        11.7447888945       11.7842853408       -0.0177910299
  N         5.3007635291        1.2823549418        0.0025550419
  N         1.5807255104       11.9591392879       -0.0072345383
  N        15.5217584715        1.1154066078       -0.0283332535
  N         9.9128436482        7.4456485149       -0.0198792460
  N         7.1460403342        5.6257797079       -0.0159741638
  C        16.7270690375        8.7516279414       -0.0139071663
  C         0.3303538390        4.3121984369       -0.0173595070
  C         8.4232300370       10.6501774881       -0.0074902349
  C         8.6210270597        2.3367235576       -0.0114409797
  C         4.6181280862        8.2080961247       -0.0165516777
  C        12.4446841397        4.8724479926       -0.0251604043
  C        12.9334478058       11.2066968417       -0.0231770325
  C         4.1100049051        1.8683247784       -0.0032405807
  C         2.3591701823        8.4098652220       -0.0138437332
  C        14.6763351246        4.6166534334       -0.0159176351
  C        10.6751933624       10.9900734852       -0.0130297579
  C         6.3891606680        2.0258746049       -0.0017588867
  C         5.8726546218        6.0514455868       -0.0147058712
  C        11.1839581431        7.0248920699       -0.0209623604
  C        14.1944067026        0.7037920890       -0.0336654689
  C         2.8491370911       12.3785034904       -0.0077869282
  C         3.8113212037       10.3265070331       -0.0140167021
  C        13.2625638170        2.7568742739       -0.0326614675
  C        12.1222831556        9.0655723923       -0.0187098350
  C         4.9039603934        4.0011281410       -0.0099811249
  C         1.3768220825       10.6403456503       -0.0108619915
  C        15.4886006069        2.5460665403       -0.0276371217
  C         9.7194232770        8.7594389685       -0.0162732951
  C         7.3413024581        4.3163804017       -0.0146130618
  H         6.6495985305        7.9339509612       -0.0156506323
  H        10.4093015545        5.1357726173       -0.0263817354
  H        14.9764370015       11.4688043545       -0.0267217011
  H         2.0765026952        1.6055875077       -0.0072184737
  H         2.3755846879        4.2820654724       -0.0178613797
  H         1.5799721325        5.8937595975       -0.0165985507
  H        14.6908245543        8.7705997431       -0.0173019608
  H        15.4878933867        7.1697516177       -0.0158291461
  H         9.8702725572        0.8345611886       -0.0125372129
  H        10.6637958554        2.4386893285       -0.0234868703
  H         7.1828247194       12.2315400688       -0.0014404217
  H         6.3773350218       10.6207608882       -0.0061577807
  N         7.7576309682       11.0274758881        3.1690501759
  N        15.2322369550        5.0546494520        3.1544701700
  N        16.0712108981       11.3698653907        3.1488642831
  N         6.7683563458        4.6971082028        3.1593852419
  N         8.6478340000        8.9272856259        3.1571366104
  N        14.1807261327        7.1620113041        3.1527240140
  N        16.9722565437       13.4844962086        3.1436285202
  N         5.8712588532        2.6000681149        3.1660957899
  N         3.0708727651       11.8711193648        3.1635400473
  N        19.7701223236        4.4651184166        3.1510037769
  N        11.4030686722       10.8010335767        3.1515401430
  N        11.4467917088        5.2880803479        3.1471793252
  N         5.4458519326       11.3137803961        3.1584706348
  N        17.4319431695        4.7815192107        3.1508285344
  N        13.7658883182       11.1077813584        3.1453955053
  N         9.1071006628        4.9717081057        3.1480918347
  N        18.2770413242        9.6430128617        3.1554548000
  N         4.4093088764        6.3843680497        3.1522265399
  N        10.1354594503       12.7165010905        3.1479183333
  N        12.7241929181        3.3720244635        3.1334263673
  N         4.1687854986        9.2805127133        3.1480508864
  N        18.7886916104        6.6854662764        3.1499161633
  N        12.3828438003       13.0228449283        3.1364302550
  N        10.4789289592        3.0702497750        3.1407423451
  N         6.8695295013       13.1463400490        3.1737223485
  N        15.9794817249        2.9400954602        3.1514159266
  N        15.1567696038        9.3288492360        3.1516493735
  N         7.6542967711        6.8160357943        3.1563825335
  N         6.3192925136        9.1245718110        3.1484458384
  N        16.5180396245        6.9635237947        3.1505676739
  N        14.6471296878       13.2949188241        3.1338298179
  N         8.2065161003        2.7907101300        3.1517705130
  N         4.4814554592       13.4633845727        3.1673729226
  N        18.3677552422        2.6146192311        3.1461573843
  N        12.8149763421        8.9491087885        3.1518898361
  N        10.0385284900        7.1302191449        3.1528503452
  C        19.6208247850       10.2658657257        3.1556631719
  C         3.2212333248        5.8287077397        3.1510323054
  C        11.3208127418       12.1659215770        3.1454785550
  C        11.5285066038        3.9288832239        3.1409755231
  C         7.5065794215        9.7034098442        3.1582834484
  C        15.3371542242        6.3803066204        3.1528860440
  C        15.8344464858       12.7078718349        3.1424477059
  C         7.0183330375        3.3745742090        3.1587250050
  C         5.2555076411        9.9201465747        3.1521444705
  C        17.5906027183        6.1661075249        3.1505008343
  C        13.5899198935       12.4189307310        3.1373873789
  C         9.2731806902        3.5861498469        3.1471440306
  C         8.7683881067        7.5516786571        3.1551692452
  C        14.1309901832        8.5729482961        3.1516849530
  C        17.0832894215        2.1967739546        3.1466207871
  C         5.7565024240       13.8786586136        3.1694950659
  C         6.7008577439       11.8371697532        3.1675279338
  C        16.1566226875        4.2343972451        3.1525675378
  C        15.0019811449       10.4993770175        3.1477012898
  C         7.8267635542        5.5079494293        3.1542644818
  C         4.2946121161       12.1461687330        3.1624955209
  C        18.5583758455        3.9364939323        3.1495315732
  C        12.6170461524       10.2694037840        3.1493787903
  C        10.2314218376        5.8208386108        3.1494561730
  H         9.5406941857        9.4419864976        3.1591244329
  H        13.2995079316        6.6443498098        3.1512429140
  H        17.8694902364       12.9691094165        3.1477591684
  H         4.9793933733        3.1095236928        3.1646775753
  H         5.2598269604        5.8060902185        3.1563421360
  H         4.4618257191        7.4078336691        3.1533472175
  H        17.5682130202       10.2895510944        3.1570052018
  H        18.3708675571        8.6835312654        3.1538237527
  H        12.7692551011        2.3453633389        3.1351628810
  H        13.5736299177        3.9565748271        3.1398787683
  H        10.0789540201       13.7434858712        3.1452724415
  H         9.2816108069       12.1428367966        3.1559551484
     144
 i =        2, E =      -939.8780974268
  N         4.8423873072        9.5394199899       -0.0139650025
  N        12.1290866900        3.5152360165       -0.0343329710
  N        13.0893768923        9.8164984474       -0.0229265196
  N         3.8283588713        3.1710719505       -0.0093787645
  N         5.6608008569        7.4554247311       -0.0158802173
  N        11.2306920733        5.6549048521       -0.0222605088
  N        13.9729502319       11.8716188402       -0.0276473393
  N         2.9625499741        1.0974793754       -0.0049254252
  N         0.1738048510       10.0216756755       -0.0105512399
  N        16.7795507154        2.8264673109       -0.0234145488
  N         8.4420257918        9.2010703933       -0.0133684282
  N         8.5039588911        3.7625966768       -0.0161937037
  N         2.5000947388        9.7128880537       -0.0133715489
  N        14.7205926522        3.1064003642       -0.0224396884
  N        10.7659001253        9.5146289985       -0.0141012404
  N         6.1312334384        3.4304322507       -0.0130317126
  N        15.4433575506        8.1202056180       -0.0135923508
  N         1.5018858175        4.8226569064       -0.0179643332
  N         7.1784785148       11.1012833890       -0.0007044287
  N         9.7283979776        1.8771206707       -0.0151318899
  N         1.1474158226        7.8255261043       -0.0131488811
  N        15.7905270377        5.1320643141       -0.0139164079
  N         9.4194336968       11.4010253938       -0.0082919074
  N         7.1761113935        1.4861662481       -0.0004272646
  N         3.9383018336       11.5306838395       -0.0124315389
  N        13.0150068857        1.4281909606       -0.0376440432
  N        12.2177666981        7.6932429772       -0.0198445863
  N         4.7192647555        5.2677656156       -0.0126825515
  N         3.4070110076        7.5614322450       -0.0146877678
  N        13.5422128037        5.4115945067       -0.0128348041
  N        11.6618363327       11.6710458574       -0.0173862115
  N         5.2636653267        1.2685300287        0.0023327593
  N         1.5553784760       11.8497803221       -0.0070270746
  N        15.4876322953        1.1065451958       -0.0254412782
  N         9.8435763809        7.3772285232       -0.0189856919
  N         7.1025022030        5.5756498885       -0.0156205798
  C        16.6175767468        8.6746602317       -0.0138809480
  C         0.3307066188        4.2699600509       -0.0164331809
  C         8.3632153349       10.5544125080       -0.0064570315
  C         8.6442308034        2.3240942658       -0.0117006037
  C         4.5623225060        8.1548270862       -0.0156105893
  C        12.3725355765        4.8233770759       -0.0245809112
  C        12.8480396580       11.0740991659       -0.0224365818
  C         4.0884850962        1.8482873789       -0.0024330700
  C         2.3387807506        8.3264698117       -0.0129639301
  C        14.5674946078        4.5352999620       -0.0152784020
  C        10.5983669473       10.8926989052       -0.0126352767
  C         6.3748255005        1.9549990663       -0.0017543105
  C         5.8299128342        5.9955669438       -0.0141065141
  C        11.1120718371        6.9652803994       -0.0201667170
  C        14.1113702611        0.7059732251       -0.0333649835
  C         2.8158922222       12.2547832203       -0.0075598046
  C         3.7990900787       10.2092555382       -0.0124147637
  C        13.1956973982        2.7495187512       -0.0305658341
  C        12.0424809050        8.9811122311       -0.0181071481
  C         4.8478306803        3.9604213360       -0.0090680486
  C         1.3431580805       10.5427246128       -0.0099236774
  C        15.2069653350        2.6577891320       -0.0272779052
  C         9.6536498203        8.6786415633       -0.0157165934
  C         7.2991750905        4.2867121338       -0.0152111078
  H         6.6028522020        7.8627244553       -0.0151192748
  H        10.3447501649        5.0871676657       -0.0254697855
  H        14.8780405217       11.3681671671       -0.0257693430
  H         2.0564756163        1.5891676803       -0.0068281028
  H         2.3562216337        4.2410146426       -0.0171179184
  H         1.5675100572        5.8411648709       -0.0164399004
  H        14.5931031064        8.6905564675       -0.0168280201
  H        15.3876535635        7.1036167049       -0.0150404806
  H         9.8113738570        0.8274822511       -0.0122204836
  H        10.5934226177        2.4216635007       -0.0226727584
  H         7.1286323080       12.1214069606       -0.0014212753
  H         6.3262178799       10.5207758483       -0.0060643889
  N         7.6972848410       10.9291832664        3.0634346485
  N        15.2685850479        5.0109177620        3.0491233245
  N        15.9540847377       11.2515283529        3.0440218530
  N         6.7057014668        4.6633977412        3.0541175004
  N         8.5832164177        8.8409839356        3.0526957639
  N        14.0745800943        7.0969125165        3.0483955965
  N        16.8276410756       13.3804915436        3.0454549500
  N         5.8286329378        2.5724262146        3.0610926908
  N         3.0342508672       12.0068949415        3.0607699600
  N        19.5674662312        4.4543239361        3.0457907377
  N        11.3238579316       10.7003415831        3.0474424768
  N        11.4097909061        5.2100270389        3.0427572453
  N         5.4250804344       11.2181038746        3.0539152710
  N        17.3767421619        4.7222425834        3.0457635275
  N        13.6931667738       10.9969371622        3.0415337196
  N         9.0583061295        4.7665115838        3.0435054595
  N        18.0149280756        9.4897997588        3.0506106988
  N         4.3741679240        6.3237644612        3.0485578113
  N        10.0686565732       12.5903258669        3.0435187940
  N        12.6399124738        3.3427081918        3.0298312614
  N         4.2588205959        9.0713448102        3.0422871635
  N        18.6597835341        6.6251112619        3.0466457667
  N        12.3005994335       12.9090023263        3.0324534737
  N        10.4190503335        3.0272390278        3.0368162152
  N         6.8163175147       13.0239009264        3.0683647095
  N        15.9171443652        2.8253084788        3.0489236485
  N        15.0235621707        9.3119857662        3.0469314974
  N         7.5812249038        6.7641033524        3.0517457070
  N         6.2691049382        9.0398815377        3.0442983751
  N        16.4062249385        6.9046818560        3.0476205422
  N        14.5446582091       13.1813347619        3.0286656147
  N         8.1538075343        2.7572668181        3.0475770985
  N         4.4323530916       13.3401796123        3.0620681383
  N        18.1650888692        2.7603620380        3.0446933646
  N        12.7397716242        8.8584289826        3.0476513071
  N         9.9541410050        7.1620615334        3.0487842336
  C        19.5287536627       10.1545303113        3.0521166286
  C         3.1700708982        5.7158721334        3.0439123809
  C        11.2406365905       12.0516561337        3.0415707874
  C        11.4544871188        3.8907350369        3.0365039618
  C         7.4420740830        9.6134841313        3.0535824114
  C        15.2607962012        6.3218552735        3.0488842110
  C        15.7243054944       12.6022087414        3.0407886898
  C         6.9709127902        3.3457731246        3.0543598825
  C         5.2084249867        9.8223564261        3.0482227785
  C        17.5040621125        6.0662075280        3.0419242639
  C        13.5087559682       12.2154228454        3.0326157696
  C         9.2133287704        3.5433958588        3.0433562471
  C         8.7066171115        7.4753171405        3.0503380987
  C        14.0901892153        8.5480853321        3.0469728372
  C        17.1032344545        2.2606271888        3.0369540916
  C         5.7082003992       13.7450525643        3.0644388530
  C         6.6460626486       11.7263105202        3.0628003469
  C        16.0628056972        4.1838815712        3.0491350312
  C        14.8749278404       10.3188150519        3.0429948927
  C         7.7704087210        5.4525100108        3.0505257076
  C         4.2489381739       12.0310209608        3.0585133916
  C        18.3825318853        3.6843091355        3.0478932743
  C        12.5305674690       10.1737594119        3.0448407742
  C        10.1629133931        5.7681343661        3.0448951175
  H         9.4746634531        9.3543878064        3.0543952631
  H        13.2088255875        6.5815274783        3.0468632899
  H        17.7501438905       12.8521104442        3.0416805511
  H         4.9453885241        3.0829012704        3.0599803845
  H         5.2097655332        5.7459366171        3.0516161139
  H         4.4260787790        7.3355778192        3.0488890408
  H        17.4454450323       10.1880538629        3.0521564023
  H        18.2517322163        8.6017512239        3.0492489443
  H        12.6902579699        2.3193051573        3.0313427279
  H        13.4905262793        3.9190589513        3.0360230415
  H        10.0013188991       13.6162943198        3.0411180899
  H         9.2107728820       12.0282601543        3.0514615539
     144
 i =        3, E =     -1102.8669726829
  N         4.8158851285        9.4952203972       -0.0117774087
  N        12.0580577361        3.4798104311       -0.0329770625
  N        12.9927916658        9.7580405010       -0.0221694881
  N         3.7914982202        3.1463841377       -0.0096072213
  N         5.5659729256        7.4823129587       -0.0156721829
  N        11.1577229708        5.6571010361       -0.0207118201
  N        13.8682779549       11.7625511964       -0.0261667193
  N         2.9494054465        1.0957014242       -0.0053885568
  N         0.1658785980        9.9294622366       -0.0095813819
  N        16.6787595973        2.7510557814       -0.0257843893
  N         8.3810463358        9.1103516311       -0.0127892663
  N         8.4515413332        3.7381753879       -0.0151376346
  N         2.4793650798        9.6253042356       -0.0130801162
  N        14.7810859550        2.9972967845       -0.0218168329
  N        10.6893448375        9.4271192749       -0.0134592765
  N         6.0693044279        3.3949970168       -0.0149922763
  N        15.3447340911        8.0468688285       -0.0130248931
  N         1.4845852758        4.7698357181       -0.0178669999
  N         7.1287000815       10.9926069541       -0.0010062275
  N         9.6378995297        1.8656765929       -0.0144511776
  N         1.1343441882        7.7555682506       -0.0127805296
  N        15.6831835723        5.0872943945       -0.0142039531
  N         9.3580819978       11.2970211020       -0.0087362486
  N         6.9255377506        1.4155707969        0.0008745483
  N         3.9070057225       11.4175310169       -0.0123910659
  N        12.9388707637        1.4206552516       -0.0358034069
  N        12.1375699982        7.6223698655       -0.0192655899
  N         4.6786633686        5.2197762780       -0.0126666933
  N         3.3833153059        7.5021017474       -0.0148393714
  N        13.4541255636        5.3648692620       -0.0120084981
  N        11.5670336856       11.5544852990       -0.0169562190
  N         5.2259155146        1.2542420856        0.0021260278
  N         1.5302011515       11.7374823030       -0.0068170245
  N        15.4505353712        1.0968388923       -0.0226743885
  N         9.7728933082        7.3069756768       -0.0181012825
  N         7.0580553839        5.5241225065       -0.0152501589
  C        16.5059087032        8.5954718284       -0.0138166088
  C         0.3311741063        4.2269570238       -0.0155245980
  C         8.3033299612       10.4572294271       -0.0054004245
  C         8.6651130931        2.3103952802       -0.0119097244
  C         4.5066514245        8.0992927058       -0.0147007386
  C        12.2987394255        4.7732447985       -0.0239675775
  C        12.7697422234       10.9294275134       -0.0217197387
  C         4.0666224726        1.8278471434       -0.0016778009
  C         2.3185490611        8.2410201372       -0.0120975302
  C        14.4570622074        4.4537645541       -0.0146585664
  C        10.5266265635       10.7919549231       -0.0122784144
  C         6.3600438389        1.8842610565       -0.0017446383
  C         5.7865097340        5.9381814335       -0.0135086784
  C        11.0388189802        6.9036934567       -0.0193636845
  C        14.0269269336        0.7085187415       -0.0329876823
  C         2.7827080930       12.1281806232       -0.0073256658
  C         3.7865138165       10.0898729490       -0.0108877628
  C        13.1268227229        2.7412821850       -0.0285197793
  C        11.9608485974        8.8939827763       -0.0175064939
  C         4.7910294087        3.9189965390       -0.0082044797
  C         1.3098125609       10.4423932794       -0.0090220526
  C        14.9242556567        2.7668796799       -0.0268796424
  C         9.5865765967        8.5962038683       -0.0151150739
  C         7.2559962438        4.2557763652       -0.0157244024
  H         6.5553601256        7.7895260057       -0.0145816397
  H        10.2788000457        5.0373349311       -0.0245491406
  H        14.7777712019       11.2646712049       -0.0248090446
  H         2.0362410016        1.5724140271       -0.0064434749
  H         2.3344114961        4.2023225278       -0.0163349203
  H         1.5546572039        5.7870011409       -0.0162503364
  H        14.4933013066        8.6085717907       -0.0163691520
  H        15.2853932918        7.0356839189       -0.0142622125
  H         9.7518112476        0.8199504161       -0.0119377623
  H        10.5215728730        2.4039613538       -0.0218477112
  H         7.0737017936       12.0084540685       -0.0013922294
  H         6.2745298224       10.4180641737       -0.0059546183
  N         7.6358204948       10.8276761076        2.9564458180
  N        15.3029078446        4.9680596254        2.9424588194
  N        15.8351239188       11.1304957309        2.9378302407
  N         6.6424172584        4.6282296748        2.9474954011
  N         8.5176444320        8.7527572677        2.9468471849
  N        13.9666059700        7.0298127678        2.9426547452
  N        16.6813112799       13.2726050080        2.9454356105
  N         5.7852831693        2.5441273196        2.9547060084
  N         2.9972324957       12.1350219624        2.9564613543
  N        19.3631110036        4.4416849705        2.9392649557
  N        11.2423439085       10.5980072264        2.9420043411
  N        11.3707549037        5.1312625322        2.9369607847
  N         5.4035381481       11.1193799747        2.9479617986
  N        17.3178685212        4.6624799618        2.9393597698
  N        13.6185980431       10.8830277856        2.9362695536
  N         9.0084802727        4.5633971602        2.9375531732
  N        17.7527013786        9.3353322961        2.9444071923
  N         4.3385760676        6.2614951362        2.9434439877
  N        10.0025061938       12.4595251434        2.9377100378
  N        12.5538969035        3.3125335153        2.9248509187
  N         4.3472718989        8.8622000205        2.9352408261
  N        18.5284515569        6.5629562411        2.9418988505
  N        12.2170684868       12.7926676568        2.9270617862
  N        10.3576676651        2.9836255643        2.9315008246
  N         6.7623939274       12.8981193625        2.9616207553
  N        15.8519872686        2.7117114896        2.9449117407
  N        14.8885206712        9.2920174147        2.9408442601
  N         7.5075001449        6.7101391773        2.9457255944
  N         6.2183169350        8.9529951649        2.9387594341
  N        16.2915397676        6.8424658561        2.9431949431
  N        14.4398026125       13.0641699325        2.9222091934
  N         8.0999399497        2.7232190152        2.9419797250
  N         4.3831008434       13.2135600474        2.9553987721
  N        17.9608169835        2.9024407189        2.9416110859
  N        12.6631315763        8.7660244542        2.9420377872
  N         9.8684689247        7.1898936955        2.9432948959
  C        19.4327550842       10.0418869592        2.9471080632
  C         3.1188414296        5.6027614173        2.9355877280
  C        11.1554334057       11.9320512552        2.9362777889
  C        11.3788566387        3.8515583657        2.9306708842
  C         7.3767171976        9.5216062329        2.9474991918
  C        15.1839137580        6.2598278256        2.9434857869
  C        15.6121461649       12.4932025371        2.9375725912
  C         6.9226077320        3.3159930867        2.9485845149
  C         5.1626708281        9.7239893936        2.9428978308
  C        17.4132932604        5.9660825742        2.9322836902
  C        13.4267333830       12.0096451448        2.9265736293
  C         9.1521957339        3.4999076293        2.9381484057
  C         8.6388519265        7.3942779278        2.9441294782
  C        14.0457325995        8.5171022804        2.9408819663
  C        17.1187381471        2.3221964428        2.9263764556
  C         5.6644907033       13.6113652323        2.9579896109
  C         6.5906782643       11.6125905031        2.9566706062
  C        15.9657447178        4.1330247744        2.9441827249
  C        14.7469080555       10.1378055927        2.9369159285
  C         7.7128330487        5.3953269720        2.9453437210
  C         4.2029203888       11.9135715167        2.9530737874
  C        18.2050042675        3.4349639180        2.9446609571
  C        12.4432829571       10.0776583109        2.9388307642
  C        10.0935351313        5.7132217824        2.9389634175
  H         9.4074982195        9.2643458566        2.9482868384
  H        13.1165404411        6.5169381558        2.9410866901
  H        17.6285472134       12.7317654346        2.9343490798
  H         4.9107015369        3.0553673752        2.9538721135
  H         5.1592847353        5.6843742869        2.9455124492
  H         4.3898374147        7.2614944364        2.9430358485
  H        17.3203904456       10.0838637453        2.9459331745
  H        18.1296951242        8.5176985329        2.9432846137
  H        12.6094298070        2.2925648188        2.9261373358
  H        13.4056519823        3.8804576479        2.9307687847
  H         9.9226666784       13.4859046555        2.9355703943
  H         9.1395092553       11.9109373843        2.9455998017
     144
 i =        4, E =      -867.0324822695
  N         4.7906296849        9.4520458852       -0.0096183383
  N        11.9875411441        3.4445430918       -0.0315294825
  N        12.8984441592        9.6934653813       -0.0213712859
  N         3.7567101834        3.1213182616       -0.0097129676
  N         5.4580871738        7.4865266679       -0.0153445323
  N        11.0857120581        5.6496947281       -0.0193262814
  N        13.7664220226       11.6526421564       -0.0247111213
  N         2.9365791184        1.0922686947       -0.0058838954
  N         0.1628225792        9.8362520086       -0.0085634539
  N        16.5762263577        2.6754919495       -0.0273088755
  N         8.3161283878        9.0159046898       -0.0117878300
  N         8.3990242390        3.7121907823       -0.0141205781
  N         2.4618429682        9.5360415302       -0.0126253512
  N        14.7821952123        3.0660259059       -0.0174923029
  N        10.6151601741        9.3381980859       -0.0128545358
  N         6.0082072567        3.3570115710       -0.0166374072
  N        15.2483276346        7.9728402873       -0.0124812385
  N         1.4680391519        4.7166432948       -0.0175997585
  N         7.0971561523       10.8637804578       -0.0018351389
  N         9.5458750029        1.8604524687       -0.0138105364
  N         1.1247591305        7.6846491350       -0.0123363252
  N        15.5764317491        5.0414412617       -0.0143387848
  N         9.2995470794       11.1897770792       -0.0090946341
  N         6.6593764056        1.3766364050        0.0018090471
  N         3.8835325132       11.3037039856       -0.0122446976
  N        12.8619529113        1.4117864968       -0.0339270133
  N        12.0593903171        7.5507525074       -0.0185934312
  N         4.6399354112        5.1710974581       -0.0124892891
  N         3.3615597191        7.4402729170       -0.0148046340
  N        13.3671796250        5.3173977112       -0.0112530325
  N        11.4750576005       11.4363670545       -0.0164885061
  N         5.1885623735        1.2392264250        0.0019465923
  N         1.5090482675       11.6236308427       -0.0066487439
  N        15.4112182191        1.0874591357       -0.0202155482
  N         9.7038452652        7.2366522001       -0.0170982249
  N         7.0153981388        5.4727654541       -0.0148447674
  C        16.3957820037        8.5156374233       -0.0137128012
  C         0.3325782828        4.1843039425       -0.0146428357
  C         8.2322819333       10.3742470845       -0.0041720670
  C         8.6759455387        2.2801061108       -0.0119394730
  C         4.4568725576        8.0400999405       -0.0137945967
  C        12.2252091166        4.7219158179       -0.0231708742
  C        12.6940937531       10.7889188375       -0.0209051707
  C         4.0453368933        1.8074863283       -0.0010804114
  C         2.3005967368        8.1552209787       -0.0113277105
  C        14.3466744871        4.3697650627       -0.0141160069
  C        10.4560046609       10.6903988678       -0.0119031331
  C         6.3718875512        1.7940147865       -0.0015090048
  C         5.7445769743        5.8778806864       -0.0129267952
  C        10.9666214655        6.8406068707       -0.0184684437
  C        13.9411695043        0.7103489283       -0.0323733879
  C         2.7541473980       12.0003835094       -0.0070101629
  C         3.7779345287        9.9718618089       -0.0095725590
  C        13.0577981203        2.7332194172       -0.0264505742
  C        11.8809321649        8.8056922553       -0.0169388895
  C         4.7351346869        3.8775450305       -0.0074734572
  C         1.2792634532       10.3410925062       -0.0081706180
  C        14.7665263548        2.6754474251       -0.0304155993
  C         9.5217918068        8.5156309331       -0.0145366799
  C         7.2136942202        4.2245839464       -0.0160318172
  H         6.5386868364        7.7216508671       -0.0140809163
  H        10.2127256422        4.9871125678       -0.0235842323
  H        14.6812085802       11.1594212191       -0.0237963166
  H         2.0162598197        1.5554088461       -0.0060558342
  H         2.3141047002        4.1631199177       -0.0155356935
  H         1.5435499409        5.7318884855       -0.0159443811
  H        14.3953550638        8.5257696111       -0.0158479446
  H        15.1842019290        6.9668340534       -0.0134367625
  H         9.6915921682        0.8116263333       -0.0115635876
  H        10.4498283731        2.3860218731       -0.0209756621
  H         7.0231691237       11.8928390144       -0.0013641081
  H         6.2265476629       10.3152874331       -0.0058022771
  N         7.5745040038       10.7251580137        2.8425755529
  N        15.3453602864        4.9156714717        2.8291342007
  N        15.7123500910       11.0042658147        2.8248435392
  N         6.5837023156        4.5904922443        2.8340805067
  N         8.4553578821        8.6686734061        2.8339241965
  N        13.8602099709        6.9627315295        2.8300609976
  N        16.5410573388       13.1599843213        2.8366014109
  N         5.7431281483        2.5155473064        2.8414456189
  N         2.9668488672       12.2571328879        2.8451221116
  N        19.1692863373        4.4250128553        2.8261869974
  N        11.1638879246       10.4932533992        2.8296031101
  N        11.3262319167        5.0585369463        2.8243863104
  N         5.3866349817       11.0192178073        2.8351045420
  N        17.2501395158        4.6049234564        2.8262843124
  N        13.5479302864       10.7736255906        2.8240029942
  N         8.9583109865        4.3799962162        2.8248142138
  N        17.4939314365        9.1820861332        2.8313406721
  N         4.3036366951        6.1982841467        2.8312561509
  N         9.9405805175       12.3271114633        2.8250759616
  N        12.4670584032        3.2824011598        2.8130998913
  N         4.4389859806        8.6576121383        2.8216875275
  N        18.3971933392        6.4994757172        2.8299143310
  N        12.1378009321       12.6754886259        2.8147719851
  N        10.2948925667        2.9413127693        2.8194302516
  N         6.7139735454       12.7667552130        2.8477515282
  N        15.7786663849        2.6150833097        2.8336512393
  N        14.7450608310        9.2958136582        2.8277174042
  N         7.4389445826        6.6531926413        2.8329155342
  N         6.1714796574        8.8678300106        2.8264933776
  N        16.1777447690        6.7786591512        2.8315474894
  N        14.3377002528       12.9438873106        2.8091913603
  N         8.0472512877        2.6896250110        2.8295503445
  N         4.3378710157       13.0850478986        2.8418308135
  N        17.7609145743        3.0116006519        2.8303048198
  N        12.5862476833        8.6730818919        2.8295284552
  N         9.7800643118        7.1960304252        2.8306135947
  C        19.3330765738        9.9313020867        2.8350554398
  C         3.0727669027        5.4946822817        2.8211065615
  C        11.0734902449       11.8107841157        2.8241367994
  C        11.3038108926        3.8132114282        2.8179716033
  C         7.3133062050        9.4300723556        2.8343800289
  C        15.1059667999        6.1965433812        2.8310437610
  C        15.4876008316       12.4326198751        2.8269611576
  C         6.8759187802        3.2860940376        2.8358517287
  C         5.1183399967        9.6211347128        2.8306917930
  C        17.3202993475        5.8726939975        2.8170708883
  C        13.3489525911       11.7989463784        2.8139814794
  C         9.0898695787        3.4663140526        2.8259989627
  C         8.5812208581        7.3129439163        2.8312808487
  C        14.0092028814        8.4889896149        2.8279826981
  C        17.1168921453        2.3745132928        2.8116339814
  C         5.6262230534       13.4763308842        2.8447246623
  C         6.5412091823       11.4970070333        2.8437584110
  C        15.8600608003        4.0888928076        2.8318437204
  C        14.5805312458        9.9005325670        2.8245454949
  C         7.6563555769        5.3371508229        2.8331506158
  C         4.1588693309       11.7947520343        2.8406605439
  C        18.0423454543        3.2206676839        2.8336368363
  C        12.3591000468        9.9810617922        2.8261066483
  C        10.0239069829        5.6604608270        2.8262845735
  H         9.3433894852        9.1729189875        2.8353104181
  H        13.0255003145        6.4510777399        2.8284530316
  H        17.5099633718       12.6089352124        2.8207999412
  H         4.8764308967        3.0265858212        2.8408483663
  H         5.1130228638        5.6228855656        2.8326074865
  H         4.3562097660        7.1875161920        2.8302363971
  H        17.1985784029        9.9769459229        2.8328647552
  H        18.0081952529        8.4341607720        2.8304989637
  H        12.5282246411        2.2654533073        2.8141183542
  H        13.3211064167        3.8415408060        2.8186505778
  H         9.8480880655       13.3541734767        2.8231781718
  H         9.0719967223       11.7908694255        2.8328839401
     144
 i =        5, E =      -460.4775470132
  N         4.7667545882        9.4090473690       -0.0075812421
  N        11.9188287756        3.4097534432       -0.0300835652
  N        12.7966291969        9.6344970537       -0.0205296940
  N         3.7231349053        3.0965186603       -0.0097738505
  N         5.3537163670        7.4900982532       -0.0149857805
  N        11.0156472398        5.6421839821       -0.0180044162
  N        13.6675560656       11.5439815685       -0.0232829212
  N         2.9246382278        1.0890731032       -0.0063281718
  N         0.1609261531        9.7437921232       -0.0076012531
  N        16.4759630767        2.6011080042       -0.0285785085
  N         8.2539454048        8.9227840489       -0.0108593521
  N         8.3478563171        3.6864993657       -0.0131377414
  N         2.4457510539        9.4474731986       -0.0121436814
  N        14.7877216833        3.1371916464       -0.0132638484
  N        10.5431937228        9.2501056192       -0.0122534241
  N         5.9479610668        3.3198864901       -0.0181162184
  N        15.1548409353        7.8996681296       -0.0119374205
  N         1.4517860219        4.6643259858       -0.0172855188
  N         7.0667110457       10.7379441440       -0.0025515312
  N         9.4541103059        1.8561911837       -0.0131702626
  N         1.1163136537        7.6145960645       -0.0118737232
  N        15.4722865969        4.9959264024       -0.0144037367
  N         9.2435538524       11.0840299176       -0.0093986014
  N         6.4015267659        1.3337238524        0.0027019688
  N         3.8616787601       11.1912751306       -0.0120666216
  N        12.7867488041        1.4029694982       -0.0320804938
  N        11.9836653473        7.4801932716       -0.0179007056
  N         4.6024937608        5.1228637988       -0.0122764558
  N         3.3409331408        7.3791424788       -0.0147119954
  N        13.2902289028        5.2660264141       -0.0104527538
  N        11.3864524405       11.3195597964       -0.0159980473
  N         5.1453166384        1.2247155709        0.0019069764
  N         1.4958001364       11.5080872935       -0.0061226474
  N        15.3731190856        1.0784324034       -0.0179078618
  N         9.6368400851        7.1672031945       -0.0161381008
  N         6.9741711383        5.4217337784       -0.0144177765
  C        16.2886617684        8.4367361647       -0.0135650726
  C         0.3344528641        4.1422290344       -0.0137739104
  C         8.1644415541       10.2906167026       -0.0030411779
  C         8.6884065867        2.2488886734       -0.0119233898
  C         4.4093546144        7.9809264249       -0.0128960256
  C        12.1536721111        4.6708764199       -0.0223450532
  C        12.6265530255       10.6584488738       -0.0200856850
  C         4.0246557449        1.7873042667       -0.0005289782
  C         2.2837219851        8.0704141586       -0.0105975016
  C        14.2389463231        4.2868644829       -0.0135846483
  C        10.3864917577       10.5904745144       -0.0115365911
  C         6.3801548882        1.7103322561       -0.0013216725
  C         5.7040920838        5.8183349263       -0.0123419123
  C        10.8967395882        6.7777638943       -0.0175505007
  C        13.8573622264        0.7122111733       -0.0316706493
  C         2.7267620369       11.8739341483       -0.0066829935
  C         3.7711986277        9.8551509962       -0.0083560672
  C        12.9905745948        2.7252683585       -0.0244349877
  C        11.7988592945        8.7095968238       -0.0163559986
  C         4.6803853650        3.8366178902       -0.0067734590
  C         1.2499418224       10.2408902138       -0.0073432437
  C        14.6036982722        2.5830287495       -0.0337418056
  C         9.4591045929        8.4354657409       -0.0139113189
  C         7.1727877825        4.1939624131       -0.0162521238
  H         6.5214436191        7.6541214890       -0.0135642524
  H        10.1484053759        4.9374667640       -0.0226112486
  H        14.5878254484       11.0553147364       -0.0227772705
  H         1.9967298441        1.5386591844       -0.0056845173
  H         2.2947043440        4.1241451847       -0.0147436235
  H         1.5332639032        5.6774106278       -0.0156019935
  H        14.3001597425        8.4439586862       -0.0153097096
  H        15.0857458840        6.8987436360       -0.0126272741
  H         9.6326892527        0.8033966780       -0.0111804052
  H        10.3797775728        2.3682994403       -0.0200988073
  H         6.9749033220       11.7785373764       -0.0013370783
  H         6.1805624561       10.2136701064       -0.0056439625
  N         7.5156258406       10.6237125419        2.7275270990
  N        15.3904589685        4.8606180569        2.7146527668
  N        15.5935517109       10.8801687600        2.7106671206
  N         6.5265087827        4.5527514794        2.7194782594
  N         8.3952384606        8.5857660605        2.7197879275
  N        13.7565004825        6.8961571361        2.7162411311
  N        16.4043826433       13.0484593979        2.7261150912
  N         5.7020460995        2.4871864763        2.7269531111
  N         2.9380482953       12.3758742498        2.7323787819
  N        18.9799909139        4.4090397884        2.7118927399
  N        11.0880104629       10.3893447746        2.7159193614
  N        11.2831707918        4.9865731096        2.7105876897
  N         5.3715215906       10.9202027138        2.7210081883
  N        17.1841939813        4.5480210690        2.7120182090
  N        13.4799934970       10.6683161463        2.7104314152
  N         8.9104393456        4.1961883261        2.7108885345
  N        17.2402312683        9.0312614287        2.7170685684
  N         4.2638112753        6.1389137376        2.7174055046
  N         9.8812561444       12.1960964286        2.7112236932
  N        12.3819540325        3.2526614447        2.7001147558
  N         4.5310856876        8.4569205924        2.7070474777
  N        18.2763518893        6.4365832307        2.7164662895
  N        12.0615821993       12.5595300893        2.7012490886
  N        10.2294246814        2.9006730161        2.7062209568
  N         6.6677114407       12.6369863895        2.7326833774
  N        15.7076615916        2.5206956799        2.7210144206
  N        14.5968724430        9.3030737468        2.7132946771
  N         7.3757998267        6.5947978088        2.7187673420
  N         6.1261380966        8.7834748329        2.7129581739
  N        16.0658861878        6.7154945555        2.7185318318
  N        14.2390055179       12.8248445863        2.6950404488
  N         7.9960859655        2.6563212460        2.7158648059
  N         4.2945801176       12.9577714112        2.7270529225
  N        17.5443673343        3.1012114721        2.7174176449
  N        12.5112782951        8.5814031388        2.7157495715
  N         9.6943687808        7.2012227178        2.7167116969
  C        19.2366244530        9.8220717115        2.7216957852
  C         3.0320122106        5.3851548352        2.7056051041
  C        10.9945574329       11.6909311689        2.7107194524
  C        11.2307385103        3.7754951864        2.7040549773
  C         7.2519626944        9.3394612930        2.7200403660
  C        15.0255133524        6.1354259692        2.7173290173
  C        15.3672248866       12.3686667747        2.7149421816
  C         6.8304960912        3.2564160579        2.7218599161
  C         5.0752284887        9.5186766909        2.7171868530
  C        17.2157533357        5.7543878050        2.6993906264
  C        13.2742524188       11.5891127759        2.7002779571
  C         9.0284357888        3.4378518879        2.7125668912
  C         8.5258676565        7.2324967076        2.7171818701
  C        13.9755523005        8.4613448202        2.7138804411
  C        17.1360518943        2.4604408970        2.6975203583
  C         5.5995144398       13.3409175075        2.7301938778
  C         6.4935300566       11.3825969068        2.7295590752
  C        15.7498397707        4.0418024111        2.7182128867
  C        14.4206117805        9.6676450628        2.7109178410
  C         7.6014619766        5.2796415654        2.7196620712
  C         4.1171930840       11.6742146023        2.7269179119
  C        17.9026608704        3.0250402947        2.7213640003
  C        12.2774532011        9.8851773327        2.7122197439
  C         9.9561071432        5.6080234677        2.7123654933
  H         9.2814488400        9.0825716129        2.7210993559
  H        12.9367593228        6.3859244010        2.7145776384
  H        17.3950367180       12.4874956444        2.7061406799
  H         4.8430484788        2.9980261700        2.7265725073
  H         5.0682713279        5.5620886342        2.7184740711
  H         4.3239531174        7.1144277886        2.7161854211
  H        17.0803001167        9.8708429859        2.7185710554
  H        17.8898181870        8.3516855854        2.7164788167
  H        12.4488552942        2.2385528960        2.7008690139
  H        13.2387711766        3.8029412197        2.7052916139
  H         9.7762006200       13.2238983076        2.7095500742
  H         9.0068855260       11.6721796767        2.7189164756
     144
 i =        6, E =     -1025.6544495939
  N         4.7318481391        9.3629275427       -0.0106184123
  N        11.8849979155        3.3887891844       -0.0294194635
  N        12.7681018705        9.5671500498       -0.0202727732
  N         3.6421687909        2.9439087215       -0.0094089079
  N         5.1737794447        7.6243368361       -0.0135422489
  N        10.9858693075        5.6096005835       -0.0178670838
  N        13.6233495809       11.4724383417       -0.0228138839
  N         2.9778465945        1.1702380913       -0.0062533668
  N         0.1726813114        9.6919016524       -0.0071836261
  N        16.4629414546        2.6112045347       -0.0277418955
  N         8.2244051040        8.8673335241       -0.0106745449
  N         8.3176305274        3.6607239361       -0.0123444702
  N         2.4405205567        9.3782727229       -0.0115908366
  N        14.7509136765        3.1535633275       -0.0134079994
  N        10.5084910608        9.1910743221       -0.0120425904
  N         5.9324514276        3.3156560434       -0.0164711344
  N        15.1101018115        7.8495987153       -0.0117482475
  N         1.4380926784        4.6448331912       -0.0163613753
  N         7.0420073521       10.6730500890       -0.0027034556
  N         9.4261518839        1.8459916184       -0.0129778619
  N         1.1063243667        7.5661900287       -0.0116487551
  N        15.4173145201        4.9456305913       -0.0159891973
  N         9.2088504598       11.0141726159       -0.0091813488
  N         6.3790760028        1.2956027712        0.0019699162
  N         3.8445783271       11.1216023023       -0.0117787099
  N        12.7510499468        1.3952235311       -0.0313839346
  N        11.9473418626        7.4333987585       -0.0175113452
  N         4.5875572125        5.0905907761       -0.0116764439
  N         3.3191753979        7.3305161636       -0.0160659864
  N        13.2517292042        5.2354336819       -0.0105775128
  N        11.3549808297       11.2501915490       -0.0157226313
  N         5.1272941237        1.2285855810        0.0033459831
  N         1.4781921707       11.4379143126       -0.0062969191
  N        15.4690703648        0.8332412369       -0.0193160868
  N         9.6061784357        7.1226125491       -0.0158329097
  N         6.9504992989        5.3854281915       -0.0141812652
  C        16.2401302630        8.3841882433       -0.0133367000
  C         0.3251422743        4.1166613806       -0.0141835863
  C         8.1321053416       10.2264877591       -0.0028828107
  C         8.6648423756        2.2340191850       -0.0116781625
  C         4.4062286119        7.9630054903       -0.0083159621
  C        12.1208251029        4.6430105147       -0.0213358231
  C        12.5736935697       10.5908084826       -0.0196581081
  C         4.0258568731        1.7585198746       -0.0009286377
  C         2.2688819248        8.0215188199       -0.0106110091
  C        14.2179629403        4.2556467133       -0.0122335411
  C        10.3480496771       10.5256093249       -0.0113052651
  C         6.3707228854        1.6877986179       -0.0014145116
  C         5.6834749924        5.7853665588       -0.0124814327
  C        10.8629856974        6.7353602839       -0.0172382765
  C        13.8206051393        0.7074275395       -0.0311271878
  C         2.7114887636       11.8043280250       -0.0069310232
  C         3.7556552178        9.7964379715       -0.0086635420
  C        12.9580599507        2.7107469279       -0.0239959618
  C        11.7660660028        8.6642463032       -0.0160731304
  C         4.6643483729        3.8023978572       -0.0064845022
  C         1.2384428973       10.1784648740       -0.0068721388
  C        14.5662092661        2.5927588261       -0.0329643291
  C         9.4278349623        8.3832555815       -0.0137290022
  C         7.1541624295        4.1638777324       -0.0178196004
  H         6.4971903558        7.6068601352       -0.0133083151
  H        10.1142727795        4.9041989793       -0.0220935350
  H        14.5412589367       10.9873233319       -0.0223802319
  H         1.9898774775        1.5300400374       -0.0055624483
  H         2.2897089057        4.1015620222       -0.0148975802
  H         1.5237797439        5.6424540053       -0.0153492263
  H        14.2567608024        8.3916269716       -0.0150228303
  H        15.0406290481        6.8552721708       -0.0124032520
  H         9.6069570679        0.7986214444       -0.0109351531
  H        10.3509130498        2.3543533599       -0.0199063124
  H         6.9484231928       11.7071011882       -0.0012318085
  H         6.1542605602       10.1513575091       -0.0052972988
  N         7.4854850951       10.5613730818        2.6786768646
  N        15.3538358407        4.8625149159        2.6678443874
  N        15.5422670715       10.8131722884        2.6618240425
  N         6.5258481501        4.4440730823        2.6692168282
  N         8.3254183110        8.5580921057        2.6710344385
  N        13.7196205458        6.8515878106        2.6673292673
  N        16.3487053127       12.9687428546        2.6731510551
  N         5.6799047425        2.4528145828        2.6771471103
  N         2.9184506864       12.3000872010        2.6830911770
  N        18.9283375717        4.3821269892        2.6619717354
  N        11.0502008098       10.3229262653        2.6669826471
  N        11.2502939430        4.9542358005        2.6619170543
  N         5.3452552503       10.8443408485        2.6712075992
  N        17.1206851630        4.5130655256        2.6623815116
  N        13.4345633853       10.6035856222        2.6615839078
  N         8.8827757862        4.1630127216        2.6621672653
  N        17.1866637438        8.9731809764        2.6681471847
  N         4.2362611691        6.0853606075        2.6670305285
  N         9.8451435610       12.1213743933        2.6624230376
  N        12.3555086176        3.2351293030        2.6523845717
  N         4.5199404374        8.4082042283        2.6581834690
  N        18.2188413794        6.3972926896        2.6671480266
  N        12.0188667908       12.4798770430        2.6526243260
  N        10.2052905407        2.8808403177        2.6578002307
  N         6.5523005772       12.6024965635        2.6810499397
  N        15.6828504763        2.5650769175        2.6737266261
  N        14.5647887234        9.2200703099        2.6646243065
  N         7.3459536691        6.5549015990        2.6698398083
  N         6.1000833369        8.7264968632        2.6638900236
  N        16.0232514861        6.6628911112        2.6680221058
  N        14.1931415684       12.7460812505        2.6468564584
  N         7.9562797364        2.6432939146        2.6673431053
  N         4.2677254076       12.8962321503        2.6780145017
  N        17.4951206325        3.0934220182        2.6646921018
  N        12.4725283005        8.5269677785        2.6668788177
  N         9.6764084347        7.1509837179        2.6681724733
  C        19.1812174909        9.7594051670        2.6730606722
  C         3.0042076256        5.3496676632        2.6576561947
  C        10.9570006100       11.6186455005        2.6619124612
  C        11.2094780010        3.7605481956        2.6548034372
  C         7.2239938438        9.2795605170        2.6711205817
  C        14.9855172823        6.0690103814        2.6674945541
  C        15.3158668869       12.2914081978        2.6666104647
  C         6.7943212092        3.3097482877        2.6731081299
  C         5.0489895169        9.4502568066        2.6694687372
  C        17.1699231115        5.7233734328        2.6563474051
  C        13.2296221058       11.5129580536        2.6514939678
  C         8.9780475126        3.4205830640        2.6637107023
  C         8.5220524930        7.1936302026        2.6683333792
  C        13.9358474327        8.4066303620        2.6650579021
  C        17.0441829034        2.4302773517        2.6600155268
  C         5.6566003307       13.2183307634        2.6826897153
  C         6.4702912933       11.3043321486        2.6808900607
  C        15.7104378556        3.9912969189        2.6639455016
  C        14.3677671670        9.6241665095        2.6619727393
  C         7.5743088084        5.2202856051        2.6707963733
  C         4.0952866611       11.6052869233        2.6779833898
  C        17.8593764400        2.9800887083        2.6688152523
  C        12.2369412085        9.8213493661        2.6634292196
  C         9.9239846514        5.5709539148        2.6634669830
  H         9.2489416417        9.0248461280        2.6720883425
  H        12.8973107782        6.3451913907        2.6657180304
  H        17.3388635020       12.4116665416        2.6577182486
  H         4.8269230296        2.9794161733        2.6774842697
  H         5.0498873411        5.5232608053        2.6703774787
  H         4.3023703224        7.0691851197        2.6677246560
  H        17.0271238792        9.8084490002        2.6696521125
  H        17.8360762557        8.2977770382        2.6675165906
  H        12.4136571279        2.2237358825        2.6521829445
  H        13.2041335385        3.7826625364        2.6564875626
  H         9.7338931570       13.1408418593        2.6608327497
  H         8.9724593112       11.5979091454        2.6699364631
     144
 i =        7, E =       -61.7920484341
  N         4.6951078633        9.2941010345       -0.0129802976
  N        11.8523759865        3.3626420526       -0.0287264987
  N        12.7440343131        9.4778682090       -0.0199849339
  N         3.5401617148        2.7094815100       -0.0088080812
  N         4.9996544632        7.7353223173       -0.0119430749
  N        10.9546875136        5.5678415497       -0.0175759037
  N        13.5224782431       11.4327032950       -0.0239062726
  N         3.0675307688        1.2894889932       -0.0063422359
  N         0.1835742981        9.6233467631       -0.0067631887
  N        16.4525025157        2.6219521984       -0.0272616499
  N         8.1866705902        8.7979600188       -0.0107236217
  N         8.2877570880        3.6318284703       -0.0120444282
  N         2.4350415996        9.2937284208       -0.0109751402
  N        14.7017676563        3.1572504280       -0.0139469862
  N        10.4757608208        9.1159541123       -0.0119748205
  N         5.9269828140        3.3144771568       -0.0140133312
  N        15.0675030005        7.7858019400       -0.0115267460
  N         1.4216285435        4.6208063584       -0.0149772013
  N         7.0132531849       10.5964292769       -0.0026561542
  N         9.4025069237        1.8321179025       -0.0127875250
  N         1.0962294552        7.5047799585       -0.0113121416
  N        15.3648493249        4.8868442468       -0.0173412135
  N         9.1752405550       10.9248479985       -0.0089748113
  N         6.3884360480        1.2581756001        0.0009114234
  N         3.8267767365       11.0323607523       -0.0111727808
  N        12.7171418003        1.3844975373       -0.0305571791
  N        11.9107664003        7.3731589259       -0.0171271985
  N         4.5834334271        5.0538409028       -0.0105559477
  N         3.2978952757        7.2692249769       -0.0169739684
  N        13.2155005572        5.1957727458       -0.0109687321
  N        11.3335561584       11.1631220377       -0.0153662119
  N         5.0980292435        1.2330247418        0.0043423419
  N         1.4616495623       11.3489801881       -0.0063047726
  N        15.5605147105        0.5900094985       -0.0206323616
  N         9.5719965314        7.0648731004       -0.0159547768
  N         6.9350065348        5.3446530594       -0.0144004114
  C        16.1937751604        8.3175293811       -0.0130107142
  C         0.3156027470        4.0838408292       -0.0143690449
  C         8.1045442360       10.1378564240       -0.0026472808
  C         8.6349448462        2.2149146364       -0.0113646156
  C         4.4066949854        7.9284489861       -0.0050707931
  C        12.0954016316        4.6074374837       -0.0200995266
  C        12.5152045924       10.5178587210       -0.0191817554
  C         4.0222731126        1.7393543412       -0.0000540827
  C         2.2468059543        7.9612159453       -0.0107085631
  C        14.2025344795        4.2198909672       -0.0115056212
  C        10.3051299212       10.4425129084       -0.0109765294
  C         6.3534470190        1.6702169928       -0.0013095640
  C         5.6721137960        5.7458763356       -0.0128688472
  C        10.8355808739        6.6798393977       -0.0169971345
  C        13.7865100379        0.6984932483       -0.0303814432
  C         2.6929095496       11.7200767304       -0.0076495522
  C         3.7372463423        9.7213579836       -0.0084841670
  C        12.9271202509        2.6915690395       -0.0231957189
  C        11.7277014952        8.6012647526       -0.0156917327
  C         4.6616224521        3.7606646060       -0.0078059065
  C         1.2272243128       10.0998207661       -0.0064184961
  C        14.5429220620        2.5987822636       -0.0313071766
  C         9.4082124072        8.3140374543       -0.0131858730
  C         7.1161958353        4.1048831839       -0.0180652837
  H         6.4713193995        7.5457110283       -0.0130129028
  H        10.0809754293        4.8631903566       -0.0214934004
  H        14.4941940584       10.9011347618       -0.0219503877
  H         1.9836437906        1.5176247294       -0.0053463943
  H         2.2871948136        4.0694964338       -0.0152183623
  H         1.5139074721        5.5980655372       -0.0150589475
  H        14.2154535021        8.3251399376       -0.0146760401
  H        14.9976595668        6.8004692803       -0.0121766978
  H         9.5822302237        0.7927126096       -0.0106056577
  H        10.3239960888        2.3361472827       -0.0197195509
  H         6.9217456668       11.6153618461       -0.0010358358
  H         6.1281193198       10.0723696888       -0.0048601276
  N         7.4538612452       10.4795758190        2.6226345819
  N        15.3041223089        4.8507946014        2.6134778747
  N        15.4968528278       10.7335057992        2.6056563955
  N         6.5168286677        4.3060228050        2.6117698522
  N         8.2783566183        8.4819476691        2.6135712309
  N        13.6883941629        6.7970286233        2.6109585063
  N        16.2973155353       12.8722242281        2.6109034583
  N         5.6693443249        2.4287942758        2.6198253871
  N         2.8940345628       12.1806320681        2.6262305002
  N        18.8869195574        4.3452971430        2.6051992470
  N        11.0163332786       10.2397729116        2.6105386136
  N        11.2140485927        4.9371190936        2.6059447905
  N         5.3166284742       10.7479711920        2.6147090744
  N        17.0549251963        4.4691179001        2.6034026766
  N        13.3807105852       10.5268673470        2.6051809664
  N         8.8562910430        4.1395806891        2.6065107231
  N        17.1558825198        8.9097026888        2.6117841874
  N         4.2098879530        6.0312544793        2.6088325764
  N         9.8102701875       12.0307576815        2.6064199189
  N        12.3395201659        3.2170182948        2.5971816575
  N         4.4845082699        8.3556425381        2.6012519917
  N        18.1684893077        6.3484265459        2.6102571887
  N        11.9791115721       12.3791938937        2.5966627277
  N        10.1977653240        2.8730855266        2.6021018940
  N         6.4388805718       12.5555733779        2.6219367444
  N        15.6651760378        2.6098076986        2.6172099282
  N        14.5434346357        9.1056302676        2.6084779620
  N         7.3595812877        6.5745092065        2.6138850994
  N         6.0787119197        8.6532964283        2.6082786139
  N        15.9792158928        6.6014059775        2.6100196623
  N        14.1518026887       12.6457290972        2.5913565208
  N         7.9179992305        2.6228466960        2.6110837390
  N         4.2442731684       12.8130447732        2.6216184929
  N        17.4833971459        3.0689576993        2.6100230190
  N        12.4358076352        8.4610150388        2.6105183820
  N         9.6548944591        7.0669597385        2.6124173733
  C        19.1190114948        9.6794598478        2.6170947344
  C         2.9859281705        5.3103639596        2.6025372491
  C        10.9254052869       11.5316595726        2.6054818392
  C        11.1545052899        3.7201667216        2.5982618934
  C         7.2024769241        9.1891671282        2.6157752410
  C        14.9450870444        5.9975250014        2.6103198766
  C        15.3418138743       12.1540358109        2.6125857620
  C         6.7447377114        3.3806520271        2.6175651002
  C         5.0566583769        9.3809715562        2.6126927043
  C        17.1281162438        5.6824708225        2.6058436818
  C        13.1767583831       11.4293061793        2.5956613923
  C         8.9226653479        3.3979432374        2.6065444765
  C         8.4786561851        7.1412635402        2.6130961616
  C        13.8945368731        8.3364213831        2.6088020789
  C        16.8824927511        2.4039316314        2.5540718826
  C         5.7114195896       13.0814856789        2.6275086499
  C         6.4596283335       11.1961841317        2.6246089929
  C        15.6804951077        3.9479986362        2.6065236029
  C        14.3255398716        9.5816047476        2.6057212827
  C         7.5803944652        5.1749517413        2.6128261888
  C         4.0817747003       11.5173373750        2.6209206845
  C        17.8593206734        2.9222657133        2.6645229721
  C        12.2059863888        9.7376992840        2.6074118168
  C         9.8988428419        5.5242288262        2.6074486627
  H         9.2178220567        8.9563578551        2.6156574040
  H        12.8626900913        6.2953747461        2.6093898894
  H        17.2872431481       12.3175368119        2.6021201045
  H         4.8119675112        2.9546468113        2.6210773211
  H         5.0357788697        5.4624702502        2.6141445555
  H         4.2783315721        7.0143056517        2.6127916953
  H        16.9792963742        9.7324350720        2.6133032916
  H        17.7873835263        8.2316487519        2.6111507773
  H        12.3826355690        2.2067915540        2.5959903008
  H        13.1721238583        3.7568633785        2.6004225748
  H         9.6928464273       13.0372520592        2.6046799240
  H         8.9418892333       11.5055289230        2.6133933502
     144
 i =        8, E =      -939.5135406680
  N         4.5378997773        9.1265107789       -0.0026885377
  N        11.7687358570        3.3161749808       -0.0274943184
  N        12.6372318865        9.3423062102       -0.0237933426
  N         3.4268708471        2.4652226115       -0.0081267828
  N         4.7822565334        7.7968030075       -0.0085349985
  N        10.8732579800        5.5212577846       -0.0179868250
  N        13.3564288374       11.3150667569       -0.0259974883
  N         3.1615623037        1.3616725332       -0.0077939724
  N         0.1818102485        9.4998648102       -0.0063405454
  N        16.3733143044        2.6112268342       -0.0256485098
  N         8.0981987083        8.6807651347       -0.0102761418
  N         8.2193568154        3.5828718957       -0.0115100607
  N         2.4090647712        9.1437897516       -0.0031220128
  N        14.5917397634        3.1577329178       -0.0138803981
  N        10.3960605164        8.9579602327       -0.0123976394
  N         5.9015537753        3.3074818657       -0.0116883111
  N        14.9555641713        7.6757397345       -0.0109416028
  N         1.3867023657        4.5831222419       -0.0139163851
  N         6.9604227220       10.4591889683       -0.0022906890
  N         9.3359646582        1.8137386663       -0.0123502034
  N         1.0679215167        7.3919499995       -0.0116748260
  N        15.2456336643        4.7986843251       -0.0184718075
  N         9.0887068062       10.7684722443       -0.0086938534
  N         6.3573255233        1.2068448646       -0.0037140082
  N         3.7714697520       10.9164670644       -0.0004917733
  N        12.6311523918        1.3669557378       -0.0291680831
  N        11.8150241985        7.2729304169       -0.0164571609
  N         4.5438207693        4.9880587192       -0.0106673214
  N         3.2491660567        7.1777206914       -0.0178684976
  N        13.1203418518        5.1247240533       -0.0109716924
  N        11.2667232507       11.0071173600       -0.0149877048
  N         4.9536580775        1.2723936875        0.0053416278
  N         1.4097172415       11.1989750112       -0.0054436487
  N        15.5952767345        0.3484470151       -0.0215949027
  N         9.4917452610        6.9680544498       -0.0157339080
  N         6.8824716891        5.2721773863       -0.0142385309
  C        16.0710723884        8.2030333061       -0.0124900180
  C         0.3003082864        4.0280500046       -0.0137660159
  C         8.0318690027        9.9908365578       -0.0024128684
  C         8.5620264279        2.1651637717       -0.0108365102
  C         4.3858741366        7.8457483078       -0.0020067277
  C        12.0156152752        4.5435122468       -0.0186473515
  C        12.3492599015       10.3370621270       -0.0125007978
  C         3.9926786519        1.6981498427       -0.0010093257
  C         2.2192103268        7.8694854012       -0.0046775187
  C        14.1225597308        4.1541923820       -0.0107186868
  C        10.1989653104       10.2977430805       -0.0099993626
  C         6.3375211897        1.6411848138       -0.0004209467
  C         5.6279331505        5.6747552853       -0.0132098685
  C        10.7564943512        6.5873357380       -0.0160191671
  C        13.7002428097        0.6857391951       -0.0290785965
  C         2.6630287081       11.5597785654       -0.0118256689
  C         3.7597030074        9.5793978584       -0.0333755087
  C        12.8431199956        2.6580912814       -0.0220005310
  C        11.6070692572        8.4850409429       -0.0157390989
  C         4.6387407976        3.7115226845       -0.0076516218
  C         1.2048350115        9.9550022026       -0.0067110669
  C        14.4604014000        2.5746052660       -0.0293071942
  C         9.3525991723        8.1968615754       -0.0126879423
  C         7.0762829220        4.0292654147       -0.0184609982
  H         6.4127053856        7.4396320938       -0.0128308520
  H         9.9982941437        4.7911094098       -0.0204223175
  H        14.3757552076       10.7489738696       -0.0211460801
  H         1.9672338680        1.4984121802       -0.0045258688
  H         2.2749586970        4.0078043343       -0.0154290135
  H         1.4919347463        5.5155251770       -0.0143055373
  H        14.1066013286        8.2095330116       -0.0141497517
  H        14.8857659532        6.7048002789       -0.0116588975
  H         9.5182056599        0.7819308425       -0.0102074451
  H        10.2528435154        2.3041453489       -0.0191599793
  H         6.8444965027       11.4542422735       -0.0004122649
  H         6.0275971618        9.9055701471       -0.0068915723
  N         7.3745554030       10.3380045701        2.5181527854
  N        15.2046038600        4.7986095910        2.5123558173
  N        15.3733116214       10.5919414362        2.5029973132
  N         6.4790002400        4.1253546216        2.5079709853
  N         8.1856334133        8.3602168270        2.5097389009
  N        13.5920584403        6.6929767825        2.5076206008
  N        16.1661825805       12.6930722324        2.5002104846
  N         5.6020189824        2.3518652490        2.5173357457
  N         2.8616003750       12.0057561273        2.5215981973
  N        18.7749613904        4.2746321570        2.5027248252
  N        10.9237703705       10.0957017399        2.5078839137
  N        11.1357204924        4.8681572621        2.5037018906
  N         5.1873771712       10.5729917342        2.5154940341
  N        16.8921168929        4.3734511754        2.5009032605
  N        13.2670980666       10.3893420559        2.5020602557
  N         8.7832071452        4.0895882896        2.5042659257
  N        17.0336942188        8.7841542422        2.5090286342
  N         4.1561815128        5.9366475982        2.5057408986
  N         9.7158813891       11.8631758099        2.5037702799
  N        12.2703616180        3.1753022832        2.4954285993
  N         4.4244357972        8.2444460824        2.5035730071
  N        18.0382740255        6.2560222909        2.5066753244
  N        11.8747744499       12.1997497808        2.4944137466
  N        10.1316934914        2.8604126310        2.4996469082
  N         6.3727206275       12.5424796937        2.5176479130
  N        15.5801103928        2.6517782565        2.5137125188
  N        14.4670076317        8.9584589987        2.5057123460
  N         7.3502663592        6.5602548426        2.5086382673
  N         6.0151250568        8.5318520275        2.5061104891
  N        15.8632161125        6.4967639984        2.5053933301
  N        14.0363497717       12.4625386178        2.4892438596
  N         7.8353075804        2.5641116770        2.5092763770
  N         4.2448972616       12.4679791447        2.5229367689
  N        17.3875430056        3.0036205319        2.5023268918
  N        12.3256343572        8.3304926310        2.5078815014
  N         9.5882695541        6.9285692809        2.5099052991
  C        18.9931825596        9.5618803687        2.5182584477
  C         2.9497203278        5.2391752160        2.5014470935
  C        10.8402956103       11.3701975451        2.5020735495
  C        11.0525710942        3.6555414278        2.4953364423
  C         7.1379905241        9.0445954401        2.5138087390
  C        14.8334309442        5.8849962461        2.5063971216
  C        15.2825190031       11.9471174289        2.5118001952
  C         6.6624275955        3.4302644599        2.5147880811
  C         5.0256559649        9.2468466241        2.5106940080
  C        17.0082849242        5.6027006802        2.5085996651
  C        13.0530900058       11.2648354937        2.4939577951
  C         8.8252646027        3.3613572226        2.5027897943
  C         8.4026870539        7.0447891491        2.5112515202
  C        13.8183090701        8.0321781266        2.5084843689
  C        16.6466286764        2.3560519589        2.4201785767
  C         5.5651397642       12.8238595281        2.5212797839
  C         6.3894876546       10.9749489736        2.5213922863
  C        15.5756426398        3.8680317580        2.5011021955
  C        14.2955725941        9.5985273463        2.5021310434
  C         7.5460476363        5.0930660723        2.5084500325
  C         4.1290071405       11.5460141373        2.5018894825
  C        17.8075384337        2.8599688351        2.6030607840
  C        12.0906856259        9.5980646083        2.5062317600
  C         9.8219821062        5.4390888750        2.5046875734
  H         9.1377289483        8.8294959727        2.5124756835
  H        12.7680615812        6.2027337666        2.5064100390
  H        17.1530781910       12.1440102529        2.5003677269
  H         4.7720845791        2.9056172427        2.5177066195
  H         4.9947050326        5.3658454594        2.5112857868
  H         4.2276471213        6.9145444575        2.5061336947
  H        16.8505632839        9.5929618031        2.5104514278
  H        17.6562696784        8.1117837906        2.5081960717
  H        12.2994533702        2.1720611262        2.4935016443
  H        13.0828070052        3.7041421285        2.4979261110
  H         9.5950601121       12.8504745958        2.5020249072
  H         8.8579592341       11.3383570014        2.5105383107
