      81
 i =        1, E =     -1861.3757126706
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0541422735        2.0907187430        4.5700483842
  C         1.1809875201        2.5146463703        5.0783438561
  H         1.2367913344        3.6073385420        5.0063380694
  H         1.3610832292        2.8325717764        7.2109543759
  H         1.5671158051        1.1494948405        6.7389709272
  C         0.9930181898        2.0580481591        6.5288085290
  H         0.4565463939        3.0844804997        2.4977024717
  H         1.2949585281       -1.6503299816        2.9507623417
  H         0.8674614607        0.8512586538        2.8988396263
  H         1.3165764291       -0.3089383270        5.0900897910
  C         0.4866558161       -1.7324909070        3.6930296306
  C        -0.3710549616        3.0865523134        3.2206411780
  C         0.0719248556        0.7264882254        3.6483645161
  C         0.3745004255       -0.4631697090        4.5451333520
  N        -0.0743615281        2.0991625697        4.3142749783
  H        -0.4815984746        4.0840295012        3.6528143541
  H         0.7043795280       -2.5989413453        4.3275861731
  C        -0.5268465152        1.8022495208        6.7114496481
  H        -0.4474010392       -1.9397459363        3.1512145761
  H        -0.8709612931        0.5651840667        3.1059375460
  H        -0.4209023429       -0.5984162288        5.2914375151
  H        -1.2977128350        2.7950089998        2.7101613506
  C        -1.1812664695        2.1248138710        5.3645904599
  H        -0.7122206023        0.7643180627        7.0066038685
  H        -0.9562423090        2.4385835908        7.4930009573
  H        -1.5928334789        3.1410749024        5.3519001377
  H        -1.9703496626        1.4298314545        5.0550357996
      81
 i =        2, E =     -1861.3757459837
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0533461422        2.0908782663        4.5687352312
  C         1.1807580558        2.5144298095        5.0784815529
  H         1.2363656150        3.6066190318        5.0055417922
  H         1.3607854449        2.8326592430        7.2111467186
  H         1.5668470303        1.1493321934        6.7388831909
  C         0.9931334389        2.0580150177        6.5288422534
  H         0.4533198032        3.0842365773        2.5001439313
  H         1.2932178793       -1.6500340989        2.9498075087
  H         0.8654484806        0.8514850785        2.8968373925
  H         1.3164669258       -0.3092281747        5.0898936632
  C         0.4867976811       -1.7323402333        3.6927000643
  C        -0.3705513121        3.0847349559        3.2235008883
  C         0.0719786898        0.7270082792        3.6478209695
  C         0.3743633318       -0.4627158927        4.5462941707
  N        -0.0742244598        2.0983003416        4.3172227962
  H        -0.4817162992        4.0867474787        3.6543278944
  H         0.7048134078       -2.6001420992        4.3282456069
  C        -0.5269506592        1.8022662876        6.7117252068
  H        -0.4461841071       -1.9388637290        3.1493941555
  H        -0.8692621017        0.5660786626        3.1034423361
  H        -0.4207669889       -0.5986046769        5.2917967044
  H        -1.2947272444        2.7949795126        2.7098215922
  C        -1.1810028195        2.1244952630        5.3651245954
  H        -0.7120843022        0.7642354944        7.0067184963
  H        -0.9562154165        2.4386879938        7.4934676938
  H        -1.5922755270        3.1405992833        5.3514536715
  H        -1.9694840769        1.4301774584        5.0545240952
      81
 i =        3, E =     -1861.3757677567
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0522566051        2.0909749647        4.5672526110
  C         1.1814212520        2.5139849283        5.0796976220
  H         1.2357771264        3.6059694485        5.0046543661
  H         1.3604867629        2.8326572222        7.2113023092
  H         1.5665728945        1.1491749976        6.7388306696
  C         0.9933020534        2.0580270447        6.5293592940
  H         0.4509309094        3.0836734956        2.5031436976
  H         1.2915946356       -1.6495437791        2.9488716956
  H         0.8635492133        0.8521054550        2.8949449086
  H         1.3166300491       -0.3093667897        5.0899501368
  C         0.4869247707       -1.7330822344        3.6928845879
  C        -0.3712025186        3.0867456329        3.2263990003
  C         0.0720980019        0.7267194547        3.6479916968
  C         0.3742829258       -0.4628373213        4.5458440719
  N        -0.0742243311        2.0976488198        4.3167523532
  H        -0.4816402353        4.0869753676        3.6556024333
  H         0.7049743274       -2.6003660578        4.3279906931
  C        -0.5268754776        1.8021997167        6.7125719349
  H        -0.4448917542       -1.9378426773        3.1476299644
  H        -0.8677556566        0.5672723129        3.1009144366
  H        -0.4208908192       -0.5987033168        5.2924936348
  H        -1.2916873010        2.7945698828        2.7102897016
  C        -1.1813549246        2.1240880781        5.3669810265
  H        -0.7119342763        0.7641947152        7.0069359309
  H        -0.9561530270        2.4387097762        7.4939663062
  H        -1.5915638307        3.1400725555        5.3510049526
  H        -1.9686730211        1.4302950315        5.0538972799
      81
 i =        4, E =     -1861.3757774348
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0518199700        2.0906230857        4.5661222933
  C         1.1811342682        2.5133889490        5.0796299160
  H         1.2352950395        3.6056639220        5.0042185024
  H         1.3605701112        2.8328874380        7.2119528547
  H         1.5665467299        1.1488301721        6.7391996933
  C         0.9932207896        2.0576092485        6.5302719148
  H         0.4519679377        3.0837470846        2.5052532681
  H         1.2913494688       -1.6489672718        2.9479479021
  H         0.8627248228        0.8529357259        2.8938738546
  H         1.3165074769       -0.3093704109        5.0898267081
  C         0.4865478640       -1.7328872091        3.6927832370
  C        -0.3717053264        3.0876128407        3.2273337913
  C         0.0718097462        0.7269383989        3.6467103449
  C         0.3741965004       -0.4643196090        4.5452466924
  N        -0.0746433236        2.0985650560        4.3169084971
  H        -0.4819942252        4.0875859549        3.6586100753
  H         0.7049113900       -2.6002921435        4.3270292216
  C        -0.5264560419        1.8020071640        6.7138725956
  H        -0.4444784225       -1.9372364385        3.1463241268
  H        -0.8672915596        0.5682441911        3.0991104253
  H        -0.4204416969       -0.5984921981        5.2924811494
  H        -1.2915368683        2.7939534037        2.7112781296
  C        -1.1805688001        2.1233401790        5.3673556547
  H        -0.7117444591        0.7639092282        7.0076539028
  H        -0.9560699198        2.4387080003        7.4949390508
  H        -1.5911759035        3.1401693452        5.3511132917
  H        -1.9688517358        1.4295125802        5.0537062507
      81
 i =        5, E =     -1861.3757905458
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0509094603        2.0898755836        4.5645483050
  C         1.1806678767        2.5129972208        5.0794056162
  H         1.2346661683        3.6047841276        5.0038623335
  H         1.3608034184        2.8329305299        7.2129695419
  H         1.5667562048        1.1480083348        6.7402125559
  C         0.9936194468        2.0575034839        6.5313144358
  H         0.4543440907        3.0846218578        2.5090284422
  H         1.2908042495       -1.6479509986        2.9470054287
  H         0.8622708839        0.8545945549        2.8918871166
  H         1.3157877730       -0.3095933236        5.0890442834
  C         0.4867769931       -1.7329426608        3.6904713682
  C        -0.3716192290        3.0893244564        3.2287803712
  C         0.0714882261        0.7271290294        3.6459873611
  C         0.3741936040       -0.4637856133        4.5440161622
  N        -0.0749132848        2.0978795325        4.3177335218
  H        -0.4829298384        4.0882278137        3.6639874690
  H         0.7047336248       -2.6005953710        4.3251746192
  C        -0.5260519715        1.8013979706        6.7153215907
  H        -0.4443806492       -1.9363959952        3.1441348906
  H        -0.8675895873        0.5697819967        3.0958772043
  H        -0.4197859261       -0.5982240271        5.2922442020
  H        -1.2924870608        2.7931986852        2.7130148912
  C        -1.1810364587        2.1229690333        5.3676248356
  H        -0.7113671561        0.7632642492        7.0093898352
  H        -0.9559096306        2.4386497241        7.4968690227
  H        -1.5902427556        3.1391781517        5.3518216450
  H        -1.9684767377        1.4285309420        5.0540277325
      81
 i =        6, E =     -1861.3758037403
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0493894798        2.0891779862        4.5636347574
  C         1.1808539547        2.5115510199        5.0801257127
  H         1.2342282980        3.6041969899        5.0038146580
  H         1.3612417406        2.8326345542        7.2139054138
  H         1.5670178233        1.1476454368        6.7415339044
  C         0.9946167225        2.0572157183        6.5311961966
  H         0.4567913000        3.0869605981        2.5132791118
  H         1.2916637156       -1.6467531759        2.9449786559
  H         0.8618915811        0.8564366521        2.8906942774
  H         1.3153759506       -0.3097231809        5.0876956541
  C         0.4862188091       -1.7326846340        3.6888114576
  C        -0.3722380724        3.0898338324        3.2309808709
  C         0.0709735832        0.7280265737        3.6443528620
  C         0.3734323192       -0.4623367227        4.5418584983
  N        -0.0752636661        2.0964099257        4.3184296083
  H        -0.4841961606        4.0877563088        3.6693375507
  H         0.7043874617       -2.6008511319        4.3223286335
  C        -0.5268743487        1.8014596820        6.7159359505
  H        -0.4448640722       -1.9357071899        3.1415221314
  H        -0.8677590977        0.5713501585        3.0933013826
  H        -0.4191328907       -0.5980375006        5.2912346957
  H        -1.2924967990        2.7939390595        2.7155027081
  C        -1.1810662070        2.1211829748        5.3693661181
  H        -0.7108577165        0.7625670017        7.0117022572
  H        -0.9552984895        2.4378512123        7.4984309787
  H        -1.5898566489        3.1384837115        5.3530689468
  H        -1.9679304950        1.4276571433        5.0549775754
      81
 i =        7, E =     -1861.3758117558
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0497317325        2.0889372587        4.5638165830
  C         1.1806033658        2.5121054986        5.0801216616
  H         1.2343278719        3.6037194120        5.0040203764
  H         1.3612662217        2.8323296342        7.2135438498
  H         1.5670380467        1.1477948914        6.7415786734
  C         0.9941405625        2.0570772811        6.5316091349
  H         0.4560123606        3.0876493619        2.5136469435
  H         1.2915602710       -1.6468046416        2.9450738191
  H         0.8619924370        0.8564765859        2.8910137445
  H         1.3153104235       -0.3095338522        5.0871703054
  C         0.4863432778       -1.7319853653        3.6882628785
  C        -0.3714967914        3.0896360628        3.2316397408
  C         0.0708150221        0.7282229250        3.6440775319
  C         0.3736254066       -0.4630786294        4.5417794489
  N        -0.0753937814        2.0967732560        4.3185767733
  H        -0.4843304882        4.0870332605        3.6690393207
  H         0.7043075576       -2.6008387661        4.3221156929
  C        -0.5261773571        1.8005514950        6.7162262326
  H        -0.4449003979       -1.9357550344        3.1414532071
  H        -0.8676799818        0.5713093170        3.0936875401
  H        -0.4193644471       -0.5979262279        5.2908206626
  H        -1.2923332529        2.7945370634        2.7153707900
  C        -1.1809608397        2.1217744161        5.3693375694
  H        -0.7107262853        0.7631282514        7.0116847561
  H        -0.9552548459        2.4378125080        7.4982895771
  H        -1.5899845632        3.1380330598        5.3532686063
  H        -1.9682955471        1.4273410443        5.0552281476
      81
 i =        8, E =     -1861.3758198109
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0499372608        2.0886427255        4.5646796828
  C         1.1806586376        2.5114336281        5.0804048153
  H         1.2346141768        3.6036482761        5.0045244695
  H         1.3613963487        2.8318326164        7.2130164316
  H         1.5672005279        1.1481430235        6.7417112466
  C         0.9936157532        2.0565409042        6.5318274740
  H         0.4549937826        3.0895021353        2.5141995422
  H         1.2918401085       -1.6467387917        2.9446954737
  H         0.8623806063        0.8567646404        2.8916378848
  H         1.3154191447       -0.3090920557        5.0858996632
  C         0.4862435475       -1.7317884591        3.6876359085
  C        -0.3716339592        3.0888246801        3.2327550221
  C         0.0709070767        0.7283135377        3.6444701082
  C         0.3735328059       -0.4634306634        4.5410076278
  N        -0.0753862707        2.0973307251        4.3189786335
  H        -0.4847281964        4.0859118519        3.6689083051
  H         0.7039542095       -2.6001769706        4.3208833106
  C        -0.5253894737        1.8007713350        6.7165126896
  H        -0.4449548901       -1.9357269498        3.1411046565
  H        -0.8679496228        0.5712604417        3.0943577956
  H        -0.4199254206       -0.5978015622        5.2896758924
  H        -1.2911994522        2.7963026904        2.7154961264
  C        -1.1809489088        2.1209137726        5.3696341083
  H        -0.7105766924        0.7629924018        7.0120782324
  H        -0.9548526096        2.4372363559        7.4976879790
  H        -1.5906328149        3.1378037349        5.3539595277
  H        -1.9685656176        1.4271564625        5.0561876846
      81
 i =        9, E =     -1861.3758275990
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0502000456        2.0880297753        4.5659616948
  C         1.1807520513        2.5111484422        5.0812676044
  H         1.2351407641        3.6032026616        5.0054294338
  H         1.3616700038        2.8314249695        7.2126221227
  H         1.5676490045        1.1480401955        6.7420737645
  C         0.9941979212        2.0562328515        6.5314103073
  H         0.4543833891        3.0920363997        2.5147881240
  H         1.2923320976       -1.6465353646        2.9438040835
  H         0.8628583933        0.8573479641        2.8925441881
  H         1.3156120228       -0.3086737587        5.0840959858
  C         0.4860033411       -1.7317277305        3.6860921567
  C        -0.3716188160        3.0889807788        3.2337242375
  C         0.0709615545        0.7283876780        3.6446710779
  C         0.3732010724       -0.4625726700        4.5402982454
  N        -0.0753009350        2.0958982608        4.3197408445
  H        -0.4855076184        4.0854980721        3.6697742449
  H         0.7035640072       -2.5997103446        4.3193209396
  C        -0.5256529431        1.8000404533        6.7160586004
  H        -0.4451532278       -1.9355906910        3.1402326937
  H        -0.8682869322        0.5714009405        3.0953171180
  H        -0.4206281369       -0.5978319710        5.2879422913
  H        -1.2907445648        2.7981237470        2.7153117265
  C        -1.1810350806        2.1208803475        5.3707522241
  H        -0.7102167571        0.7626582605        7.0128080263
  H        -0.9544960763        2.4370064424        7.4976143541
  H        -1.5914146595        3.1367543030        5.3551511807
  H        -1.9688975845        1.4265563607        5.0575977931
      81
 i =       10, E =     -1861.3758363856
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0504733842        2.0871184038        4.5677269315
  C         1.1812920162        2.5105600132        5.0816408981
  H         1.2357462654        3.6024608451        5.0066812867
  H         1.3621119955        2.8312307707        7.2125745868
  H         1.5685077055        1.1472620822        6.7426059607
  C         0.9948322598        2.0556728489        6.5316788089
  H         0.4546490737        3.0951919671        2.5155432686
  H         1.2927883074       -1.6461495829        2.9422195441
  H         0.8633815181        0.8583107496        2.8935162806
  H         1.3158969371       -0.3082994608        5.0819379288
  C         0.4860941103       -1.7303415474        3.6841193693
  C        -0.3714195288        3.0897258620        3.2347761319
  C         0.0705487393        0.7287228347        3.6441971869
  C         0.3731893679       -0.4626552814        4.5388281557
  N        -0.0755741350        2.0956035075        4.3202747391
  H        -0.4867596468        4.0863315681        3.6725850637
  H         0.7032005326       -2.5998157198        4.3175653627
  C        -0.5257551377        1.7991648477        6.7168720325
  H        -0.4459031249       -1.9353366392        3.1382023820
  H        -0.8686288139        0.5718228020        3.0963324188
  H        -0.4216551809       -0.5980061425        5.2859259266
  H        -1.2913361431        2.7996449391        2.7148220671
  C        -1.1817434082        2.1192795170        5.3713888854
  H        -0.7096946459        0.7617862279        7.0137991644
  H        -0.9539297707        2.4367464156        7.4978413751
  H        -1.5924602261        3.1357917378        5.3568398302
  H        -1.9688796239        1.4258807296        5.0597756386
      81
 i =       11, E =     -1861.3758423329
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0507408190        2.0868971809        4.5674705724
  C         1.1808331983        2.5104382559        5.0817979935
  H         1.2357565490        3.6024809392        5.0066440673
  H         1.3621505407        2.8312989551        7.2127712029
  H         1.5685107497        1.1471975970        6.7426093369
  C         0.9945480927        2.0553670662        6.5320953615
  H         0.4549529910        3.0951543925        2.5157600282
  H         1.2927255597       -1.6460150647        2.9419609360
  H         0.8633019011        0.8584226647        2.8932310117
  H         1.3158586337       -0.3084010032        5.0820512374
  C         0.4858628541       -1.7310916359        3.6841530962
  C        -0.3721036755        3.0903953663        3.2346490048
  C         0.0707794528        0.7289297228        3.6442786658
  C         0.3730978543       -0.4627518219        4.5388537951
  N        -0.0756488073        2.0962019405        4.3200224153
  H        -0.4867916241        4.0863060772        3.6730283377
  H         0.7031321065       -2.5994711247        4.3171898306
  C        -0.5252292002        1.7991291122        6.7170605850
  H        -0.4455883772       -1.9350945907        3.1380312864
  H        -0.8689183106        0.5718964478        3.0958967686
  H        -0.4214474405       -0.5980933746        5.2858886418
  H        -1.2911254683        2.7995277873        2.7150929309
  C        -1.1811504651        2.1199456914        5.3716161646
  H        -0.7096753363        0.7615909785        7.0139121395
  H        -0.9539702362        2.4367965104        7.4981200354
  H        -1.5923668238        3.1354793726        5.3568769309
  H        -1.9693216347        1.4252430291        5.0595726377
      81
 i =       12, E =     -1861.3758473321
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0506896682        2.0865994828        4.5672949789
  C         1.1808357765        2.5101524947        5.0816708399
  H         1.2358069434        3.6023178511        5.0067067693
  H         1.3621896547        2.8312386904        7.2131890186
  H         1.5686214074        1.1468446647        6.7427114677
  C         0.9944105139        2.0550649954        6.5330211609
  H         0.4551995706        3.0953540573        2.5167358607
  H         1.2922224206       -1.6457663627        2.9414952300
  H         0.8631433235        0.8588133263        2.8925028071
  H         1.3156830377       -0.3087712536        5.0822477168
  C         0.4859150096       -1.7311990419        3.6834638682
  C        -0.3722212597        3.0916862668        3.2343192979
  C         0.0703786902        0.7293759161        3.6438817471
  C         0.3732134209       -0.4631264917        4.5386118970
  N        -0.0758890910        2.0973823990        4.3198083145
  H        -0.4871119142        4.0868718552        3.6744937528
  H         0.7031269359       -2.5995863741        4.3167626810
  C        -0.5246475003        1.7990199645        6.7180191877
  H        -0.4452832932       -1.9346354307        3.1371994858
  H        -0.8690274628        0.5722675644        3.0951155563
  H        -0.4211415230       -0.5983487134        5.2859167861
  H        -1.2913425022        2.7991614101        2.7154214149
  C        -1.1811859919        2.1191418910        5.3715670047
  H        -0.7095763338        0.7612597439        7.0141525561
  H        -0.9538497893        2.4366725661        7.4987015918
  H        -1.5923828142        3.1354390864        5.3571263371
  H        -1.9690601196        1.4247972610        5.0597088494
      81
 i =       13, E =     -1861.3758551783
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0501429773        2.0859011541        4.5670817324
  C         1.1810205505        2.5101179842        5.0822113157
  H         1.2361948050        3.6016347876        5.0070910364
  H         1.3623951615        2.8310025702        7.2143203289
  H         1.5689462783        1.1459618792        6.7432107944
  C         0.9951621288        2.0548062949        6.5333658989
  H         0.4561596004        3.0964899072        2.5184490961
  H         1.2916575596       -1.6451798238        2.9398230382
  H         0.8622634927        0.8597978455        2.8912189540
  H         1.3153598022       -0.3096968353        5.0825128019
  C         0.4860202212       -1.7305010150        3.6825054576
  C        -0.3728537216        3.0937342729        3.2353666160
  C         0.0700930571        0.7303225862        3.6426611164
  C         0.3731211207       -0.4629516523        4.5373949177
  N        -0.0761913535        2.0973241388        4.3198683491
  H        -0.4881057103        4.0886720866        3.6776073045
  H         0.7031256199       -2.6002256193        4.3155949298
  C        -0.5249463786        1.7980937909        6.7189714677
  H        -0.4452110904       -1.9337622635        3.1347980877
  H        -0.8691704321        0.5733199084        3.0934468271
  H        -0.4205521025       -0.5991033124        5.2859015045
  H        -1.2918184472        2.7989078395        2.7160018683
  C        -1.1812251605        2.1190651880        5.3724030329
  H        -0.7091878181        0.7607243298        7.0149658880
  H        -0.9535219934        2.4363151547        7.5002069738
  H        -1.5924063377        3.1343427521        5.3580135803
  H        -1.9682691773        1.4235676743        5.0600693201
      81
 i =       14, E =     -1861.3758637511
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0493249437        2.0850855684        4.5670255452
  C         1.1811504000        2.5091080138        5.0828694022
  H         1.2368683338        3.6014267737        5.0076698194
  H         1.3626645315        2.8303126218        7.2155161004
  H         1.5692998619        1.1452425437        6.7438374294
  C         0.9957835468        2.0542604394        6.5336809655
  H         0.4565691407        3.0987883547        2.5209264730
  H         1.2914545723       -1.6443616061        2.9375119134
  H         0.8613731317        0.8612572937        2.8895024862
  H         1.3147277560       -0.3106550375        5.0821753645
  C         0.4854773290       -1.7306763559        3.6810354666
  C        -0.3735135820        3.0950173520        3.2373682117
  C         0.0696494247        0.7309502700        3.6419583668
  C         0.3728204541       -0.4619741621        4.5363542370
  N        -0.0763079513        2.0971289463        4.3208654534
  H        -0.4895152179        4.0903837765        3.6809124997
  H         0.7028678374       -2.6001642574        4.3132457636
  C        -0.5250249691        1.7981927209        6.7194080256
  H        -0.4447760632       -1.9325914748        3.1321055026
  H        -0.8693086066        0.5747516734        3.0915304084
  H        -0.4197574610       -0.5998895512        5.2851611664
  H        -1.2916330992        2.7996876466        2.7169866585
  C        -1.1809815345        2.1176027728        5.3736771702
  H        -0.7087855541        0.7594950255        7.0162686209
  H        -0.9528940866        2.4353603216        7.5017612161
  H        -1.5929367208        3.1335647955        5.3593381151
  H        -1.9671017207        1.4222718597        5.0607618960
      81
 i =       15, E =     -1861.3758705770
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0495193413        2.0848870097        4.5670156821
  C         1.1810102030        2.5095340895        5.0828263089
  H         1.2369662858        3.6011132943        5.0077983857
  H         1.3626744597        2.8299530445        7.2152636431
  H         1.5692474096        1.1453880386        6.7438633504
  C         0.9954466653        2.0541511106        6.5340994418
  H         0.4559328739        3.0994087902        2.5214464864
  H         1.2913041007       -1.6443469231        2.9377235044
  H         0.8613070093        0.8614068352        2.8896651685
  H         1.3147617900       -0.3104240380        5.0817533946
  C         0.4858316470       -1.7300594665        3.6802800205
  C        -0.3730867686        3.0949768255        3.2379329056
  C         0.0697266650        0.7309332169        3.6419924429
  C         0.3728284333       -0.4626427376        4.5361196773
  N        -0.0763186804        2.0972618406        4.3210856050
  H        -0.4896425779        4.0895534668        3.6806083138
  H         0.7027528445       -2.6000863116        4.3129268266
  C        -0.5244678589        1.7972661616        6.7199013273
  H        -0.4449389703       -1.9326042676        3.1320360858
  H        -0.8692637995        0.5748673541        3.0917226890
  H        -0.4200138202       -0.5997251725        5.2848697249
  H        -1.2913403130        2.8002904995        2.7171717260
  C        -1.1810782596        2.1181484008        5.3735557769
  H        -0.7086376409        0.7600757176        7.0162152774
  H        -0.9528112235        2.4352046957        7.5016351371
  H        -1.5930288811        3.1331477045        5.3594982828
  H        -1.9672680274        1.4219985982        5.0608935831
      81
 i =       16, E =     -1861.3758765817
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0495705235        2.0846831667        4.5672659981
  C         1.1810778881        2.5090984167        5.0830571142
  H         1.2372145106        3.6011899345        5.0080592681
  H         1.3627825846        2.8294468944        7.2150365863
  H         1.5692615387        1.1456392455        6.7439189988
  C         0.9950123300        2.0537238936        6.5342662035
  H         0.4551105878        3.1008268351        2.5222124921
  H         1.2917741785       -1.6441400785        2.9374453219
  H         0.8613030431        0.8617928630        2.8900008733
  H         1.3148042140       -0.3099676632        5.0807379102
  C         0.4856143638       -1.7299653831        3.6796031333
  C        -0.3730388586        3.0941236093        3.2388299293
  C         0.0697817966        0.7308119442        3.6423888979
  C         0.3728819266       -0.4631290966        4.5356302113
  N        -0.0762413835        2.0975565946        4.3215532444
  H        -0.4899753007        4.0885065564        3.6803975107
  H         0.7024160160       -2.5993974455        4.3117266669
  C        -0.5238686778        1.7975341374        6.7200561651
  H        -0.4450906738       -1.9325300357        3.1318916697
  H        -0.8692104419        0.5751482898        3.0922045791
  H        -0.4205780112       -0.5994920837        5.2840880165
  H        -1.2904876678        2.8017090946        2.7177126884
  C        -1.1809848717        2.1174112177        5.3738670176
  H        -0.7085248781        0.7598637841        7.0164708192
  H        -0.9524956167        2.4345876537        7.5012689822
  H        -1.5935576979        3.1330944039        5.3599307042
  H        -1.9673293041        1.4217898684        5.0613125670
      81
 i =       17, E =     -1861.3758817579
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0495390781        2.0843250223        4.5677267826
  C         1.1812674826        2.5089504042        5.0836850161
  H         1.2376383258        3.6009418633        5.0085707542
  H         1.3630105638        2.8289550167        7.2150216038
  H         1.5694925976        1.1454212246        6.7441352440
  C         0.9954642870        2.0536035101        6.5338821892
  H         0.4549349992        3.1026633039        2.5228438424
  H         1.2924954782       -1.6437513079        2.9366855899
  H         0.8612886550        0.8624086787        2.8905284839
  H         1.3149651987       -0.3095697651        5.0793683180
  C         0.4853367593       -1.7297735239        3.6784071063
  C        -0.3728922525        3.0938181238        3.2401341782
  C         0.0698961626        0.7309293124        3.6425524373
  C         0.3725147628       -0.4626307292        4.5352544718
  N        -0.0761266536        2.0964701618        4.3222430343
  H        -0.4905916405        4.0880966243        3.6810595457
  H         0.7020806023       -2.5990413109        4.3102515336
  C        -0.5241037290        1.7969028801        6.7195342675
  H        -0.4455139457       -1.9323547438        3.1312386014
  H        -0.8692661207        0.5756219171        3.0928784958
  H        -0.4211163188       -0.5993814674        5.2827890233
  H        -1.2904375750        2.8029963088        2.7180344129
  C        -1.1809778033        2.1174696415        5.3747599455
  H        -0.7082347955        0.7594905365        7.0169349544
  H        -0.9522787912        2.4342495255        7.5014736327
  H        -1.5941138041        3.1322744971        5.3606846190
  H        -1.9673633926        1.4212404870        5.0619439089
      81
 i =       18, E =     -1861.3758881754
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0495068801        2.0837475961        4.5685069574
  C         1.1817699202        2.5086126167        5.0839954341
  H         1.2381960644        3.6003977877        5.0093660869
  H         1.3633915023        2.8284661149        7.2153114181
  H         1.5699482111        1.1447701956        6.7444229669
  C         0.9961513766        2.0530412312        6.5340356676
  H         0.4552030985        3.1050926080        2.5239472057
  H         1.2929611376       -1.6430836901        2.9355465231
  H         0.8614918083        0.8634182847        2.8910521323
  H         1.3151734855       -0.3092214974        5.0775496240
  C         0.4855183275       -1.7285216251        3.6764342731
  C        -0.3727918407        3.0941537886        3.2411719873
  C         0.0696088695        0.7313369295        3.6425772486
  C         0.3724515838       -0.4623081669        4.5339149442
  N        -0.0761060273        2.0961107142        4.3231057496
  H        -0.4915832523        4.0883832992        3.6833711227
  H         0.7017263520       -2.5992193662        4.3083531064
  C        -0.5242836737        1.7961468085        6.7203343340
  H        -0.4463575004       -1.9319706024        3.1296003034
  H        -0.8695597737        0.5763862471        3.0936458144
  H        -0.4220836157       -0.5994006996        5.2812134492
  H        -1.2909079225        2.8042008640        2.7184840743
  C        -1.1816424632        2.1161194353        5.3751285781
  H        -0.7077368894        0.7587087578        7.0175273463
  H        -0.9517895470        2.4335750019        7.5017538177
  H        -1.5949367099        3.1313986747        5.3618805237
  H        -1.9669503690        1.4206908131        5.0632009599
      81
 i =       19, E =     -1861.3758934058
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0497633210        2.0835664468        4.5683739634
  C         1.1814036444        2.5084291905        5.0841511677
  H         1.2382222995        3.6004255030        5.0093840272
  H         1.3634432790        2.8284715320        7.2154396133
  H         1.5700364069        1.1446014137        6.7444225499
  C         0.9957874574        2.0528547277        6.5344654895
  H         0.4553621191        3.1050744576        2.5241722289
  H         1.2928930431       -1.6429284302        2.9352258753
  H         0.8614542355        0.8635194171        2.8909426556
  H         1.3151214543       -0.3093116263        5.0775831789
  C         0.4851759683       -1.7290846529        3.6765504891
  C        -0.3732252989        3.0948624253        3.2410603556
  C         0.0697432993        0.7316358241        3.6423612108
  C         0.3724017709       -0.4625316652        4.5339590476
  N        -0.0762779821        2.0967216273        4.3228048751
  H        -0.4916139584        4.0883800584        3.6838783283
  H         0.7016636738       -2.5989040791        4.3079541176
  C        -0.5237279376        1.7960506875        6.7203731723
  H        -0.4459808543       -1.9317021521        3.1293879511
  H        -0.8698205444        0.5764547571        3.0934106894
  H        -0.4218742049       -0.5994828911        5.2810647840
  H        -1.2907963178        2.8040467924        2.7186610634
  C        -1.1809849021        2.1166360178        5.3754650115
  H        -0.7077029365        0.7584954410        7.0176222019
  H        -0.9518481405        2.4336393763        7.5020385877
  H        -1.5949120464        3.1311336203        5.3619449911
  H        -1.9674073769        1.4200754296        5.0630533031
      81
 i =       20, E =     -1861.3758974959
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0498165721        2.0833484402        4.5683952384
  C         1.1813763042        2.5082308471        5.0840711571
  H         1.2382874851        3.6002421439        5.0095233652
  H         1.3635188841        2.8284012326        7.2157488043
  H         1.5701635537        1.1442932867        6.7444454487
  C         0.9956917673        2.0524248684        6.5352486724
  H         0.4554843018        3.1051609055        2.5248602626
  H         1.2922351031       -1.6426612047        2.9348418850
  H         0.8615459315        0.8638475983        2.8904686421
  H         1.3149758818       -0.3096378226        5.0776976811
  C         0.4852681835       -1.7290460122        3.6760523623
  C        -0.3734814548        3.0960732762        3.2407584199
  C         0.0693410690        0.7320502274        3.6419724700
  C         0.3724870500       -0.4627956951        4.5336076428
  N        -0.0764749410        2.0977943486        4.3224634491
  H        -0.4918192135        4.0889461247        3.6852697180
  H         0.7016586689       -2.5990082098        4.3075381268
  C        -0.5232049161        1.7959410075        6.7212461876
  H        -0.4455966481       -1.9312107406        3.1285739049
  H        -0.8701149577        0.5767158580        3.0929406450
  H        -0.4215982116       -0.5997057146        5.2809707115
  H        -1.2908949708        2.8036672206        2.7188841197
  C        -1.1810867326        2.1158787886        5.3753748326
  H        -0.7075723164        0.7581765704        7.0177393664
  H        -0.9517403989        2.4334483922        7.5024106879
  H        -1.5949649652        3.1310463358        5.3622041172
  H        -1.9671834351        1.4197583195        5.0632691895
      81
 i =       21, E =     -1861.3759033929
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0495451789        2.0828995968        4.5686175372
  C         1.1814935398        2.5081321130        5.0844992775
  H         1.2386400726        3.5997061536        5.0100430858
  H         1.3637491593        2.8280655549        7.2165041925
  H         1.5705459830        1.1434516381        6.7447161071
  C         0.9963949021        2.0521569246        6.5354236163
  H         0.4559564476        3.1059658948        2.5259486524
  H         1.2914429202       -1.6420319386        2.9334662083
  H         0.8612505908        0.8646192917        2.8896918555
  H         1.3146808688       -0.3103646010        5.0777400703
  C         0.4853677081       -1.7284305806        3.6752271908
  C        -0.3740452446        3.0978529863        3.2415111642
  C         0.0691718934        0.7328412929        3.6410643695
  C         0.3724167785       -0.4622625461        4.5325530812
  N        -0.0767121405        2.0976938769        4.3225678794
  H        -0.4924947576        4.0905789410        3.6879881710
  H         0.7016535984       -2.5995032816        4.3065246921
  C        -0.5234665864        1.7949931470        6.7218989676
  H        -0.4453329475       -1.9302859073        3.1264585807
  H        -0.8706993948        0.5774447149        3.0919238317
  H        -0.4211474209       -0.6003017974        5.2807276360
  H        -1.2912426073        2.8033819007        2.7191758532
  C        -1.1811120988        2.1159363880        5.3759500450
  H        -0.7071664813        0.7576448838        7.0182136699
  H        -0.9515080699        2.4330459370        7.5034483672
  H        -1.5950544203        3.1299841202        5.3630269119
  H        -1.9666531123        1.4187867569        5.0637235513
      81
 i =       22, E =     -1861.3759101476
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0491167660        2.0822926045        4.5689558666
  C         1.1815869428        2.5073777148        5.0851335487
  H         1.2392285166        3.5994572096        5.0108065437
  H         1.3640929078        2.8273378622        7.2174122298
  H         1.5710017911        1.1426388815        6.7450647114
  C         0.9969326810        2.0515050259        6.5355825111
  H         0.4560095001        3.1078103131        2.5276881838
  H         1.2911531338       -1.6410813308        2.9312049362
  H         0.8607689548        0.8658420282        2.8885619672
  H         1.3142085920       -0.3110923238        5.0773360841
  C         0.4847818813       -1.7283246968        3.6740686993
  C        -0.3746163105        3.0991593969        3.2432688240
  C         0.0686157994        0.7335648814        3.6401740531
  C         0.3721516295       -0.4614808709        4.5316475017
  N        -0.0768316726        2.0976555902        4.3233692544
  H        -0.4935405902        4.0921492004        3.6909857394
  H         0.7014330416       -2.5994067261        4.3044584988
  C        -0.5234629433        1.7949669961        6.7220418808
  H        -0.4449006893       -1.9290097720        3.1238435338
  H        -0.8710069246        0.5786016359        3.0907678775
  H        -0.4205359132       -0.6009120905        5.2798864635
  H        -1.2911843781        2.8039623306        2.7198330392
  C        -1.1807985373        2.1145061812        5.3770506693
  H        -0.7067365409        0.7563050821        7.0191022981
  H        -0.9510264363        2.4320848323        7.5046439535
  H        -1.5956413238        3.1293182833        5.3642803590
  H        -1.9657788346        1.4176780865        5.0644648335
      81
 i =       23, E =     -1861.3759161080
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0492474677        2.0821279489        4.5688916965
  C         1.1815485362        2.5076482533        5.0850894888
  H         1.2392934282        3.5992726150        5.0109162038
  H         1.3640968114        2.8269897298        7.2172218985
  H         1.5709231869        1.1427800878        6.7450561364
  C         0.9966532439        2.0513907561        6.5360192953
  H         0.4554835416        3.1083952175        2.5281918923
  H         1.2910699924       -1.6410388573        2.9313951643
  H         0.8605742457        0.8659996570        2.8886011921
  H         1.3142568131       -0.3108587309        5.0770031434
  C         0.4851745641       -1.7278602702        3.6732387949
  C        -0.3743618135        3.0990071176        3.2436977771
  C         0.0688192875        0.7334888070        3.6404425890
  C         0.3721417319       -0.4620604540        4.5314005706
  N        -0.0768157543        2.0978083363        4.3234712197
  H        -0.4936632202        4.0914090056        3.6906595355
  H         0.7013078607       -2.5992694649        4.3041352270
  C        -0.5229653995        1.7940779401        6.7226343976
  H        -0.4451439458       -1.9290077387        3.1237794690
  H        -0.8709266707        0.5787536148        3.0908017045
  H        -0.4208147620       -0.6007501727        5.2797296385
  H        -1.2908739950        2.8045989120        2.7201357709
  C        -1.1809983319        2.1150861588        5.3769296775
  H        -0.7066002707        0.7568370945        7.0190263812
  H        -0.9509261448        2.4318903934        7.5045280099
  H        -1.5956724816        3.1288964068        5.3644236201
  H        -1.9658896103        1.4174057546        5.0645381054
      81
 i =       24, E =     -1861.3759211188
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0492919989        2.0819247868        4.5689147860
  C         1.1816104236        2.5073774333        5.0853213017
  H         1.2394657142        3.5993561935        5.0111352558
  H         1.3641953505        2.8265393612        7.2171453953
  H         1.5709045018        1.1429536615        6.7450701886
  C         0.9962760186        2.0509933178        6.5362014599
  H         0.4548445849        3.1096408299        2.5289282147
  H         1.2916765646       -1.6408040155        2.9310580964
  H         0.8602682682        0.8663578709        2.8886966592
  H         1.3142762016       -0.3104561629        5.0762336078
  C         0.4849442030       -1.7278316659        3.6724694836
  C        -0.3742287075        3.0982851351        3.2444302575
  C         0.0688352372        0.7333708570        3.6408366886
  C         0.3722122792       -0.4625714647        4.5311202152
  N        -0.0767370174        2.0980328260        4.3238910588
  H        -0.4939683074        4.0904530873        3.6903295095
  H         0.7009999946       -2.5986008639        4.3030631527
  C        -0.5224594007        1.7943447004        6.7227595907
  H        -0.4454224200       -1.9289196298        3.1236556033
  H        -0.8705767842        0.5791111081        3.0910343948
  H        -0.4213089408       -0.6005337739        5.2792225865
  H        -1.2903192550        2.8058899080        2.7207453733
  C        -1.1808940878        2.1143775617        5.3772728245
  H        -0.7065279041        0.7565414108        7.0192335976
  H        -0.9506423027        2.4313061388        7.5043322501
  H        -1.5960878422        3.1289450227        5.3647847379
  H        -1.9658725398        1.4171788785        5.0647758720
      81
 i =       25, E =     -1861.3759252396
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0491676477        2.0816576977        4.5691188205
  C         1.1818300756        2.5072369934        5.0858215745
  H         1.2397778639        3.5992057215        5.0115783327
  H         1.3643875344        2.8260246771        7.2172793275
  H         1.5710831242        1.1426640613        6.7452207213
  C         0.9966524366        2.0509676409        6.5358903916
  H         0.4548216165        3.1112523033        2.5295084161
  H         1.2924865665       -1.6403992878        2.9302954677
  H         0.8598923799        0.8669073174        2.8889218219
  H         1.3144122539       -0.3101371811        5.0752122610
  C         0.4847002616       -1.7275239620        3.6713669454
  C        -0.3741032090        3.0979456373        3.2455961275
  C         0.0689742716        0.7335009757        3.6409689663
  C         0.3718510562       -0.4623080311        4.5308325141
  N        -0.0766197922        2.0971308811        4.3246380398
  H        -0.4945137392        4.0900738666        3.6907210333
  H         0.7006879364       -2.5982431045        4.3016797684
  C        -0.5226704265        1.7936959984        6.7223263373
  H        -0.4459699253       -1.9287311822        3.1230515812
  H        -0.8703344656        0.5796427268        3.0913636208
  H        -0.4217247500       -0.6004488992        5.2782849666
  H        -1.2904659343        2.8071098532        2.7212186518
  C        -1.1808325802        2.1144413283        5.3780332940
  H        -0.7062948573        0.7561577431        7.0195960426
  H        -0.9504404680        2.4309234855        7.5046886476
  H        -1.5964940945        3.1282883959        5.3654306955
  H        -1.9658074052        1.4166465114        5.0651655329
      81
 i =       26, E =     -1861.3759304268
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0490160495        2.0812339085        4.5695325463
  C         1.1822464542        2.5070420562        5.0861280619
  H         1.2402085429        3.5987639405        5.0122767746
  H         1.3647173912        2.8254734516        7.2177606393
  H         1.5713814059        1.1420826736        6.7453979732
  C         0.9973684985        2.0503427886        6.5360026152
  H         0.4551324076        3.1133382388        2.5305440191
  H         1.2929265981       -1.6397042358        2.9292903503
  H         0.8597999279        0.8678358525        2.8890080547
  H         1.3144798964       -0.3099510276        5.0737944779
  C         0.4848583052       -1.7263992109        3.6694714876
  C        -0.3740422687        3.0981160733        3.2465031352
  C         0.0687662951        0.7338430108        3.6411897393
  C         0.3718277583       -0.4618739122        4.5296690674
  N        -0.0765362772        2.0968034921        4.3253941973
  H        -0.4953732315        4.0903946698        3.6925496993
  H         0.7003406490       -2.5983214260        4.2997718563
  C        -0.5228892942        1.7930408645        6.7231089071
  H        -0.4467506936       -1.9282749094        3.1216134890
  H        -0.8704351414        0.5804458813        3.0916585320
  H        -0.4224586534       -0.6005373314        5.2771077766
  H        -1.2910563055        2.8082787356        2.7218991452
  C        -1.1814295184        2.1133282852        5.3783412326
  H        -0.7058742393        0.7553522527        7.0200528989
  H        -0.9499567594        2.4300883758        7.5050962256
  H        -1.5970796369        3.1275029487        5.3664873350
  H        -1.9652573364        1.4161622446        5.0660612530
      81
 i =       27, E =     -1861.3759349844
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0492275285        2.0811081342        4.5694459739
  C         1.1819433756        2.5068275092        5.0862609995
  H         1.2402366388        3.5988113518        5.0123091281
  H         1.3647593762        2.8254097891        7.2178342855
  H         1.5715089135        1.1418612364        6.7454016727
  C         0.9969587852        2.0502761980        6.5364188742
  H         0.4551897765        3.1132949704        2.5307602452
  H         1.2928126508       -1.6395465933        2.9290037026
  H         0.8598215717        0.8679265277        2.8889926952
  H         1.3144478463       -0.3100409696        5.0737991433
  C         0.4845357713       -1.7268422167        3.6696126471
  C        -0.3743809807        3.0988509387        3.2464214469
  C         0.0688473834        0.7341717224        3.6408064572
  C         0.3717523296       -0.4621207621        4.5297342669
  N        -0.0767266964        2.0973676136        4.3251172824
  H        -0.4953787074        4.0903607364        3.6930159600
  H         0.7002884253       -2.5980668079        4.2993882455
  C        -0.5223275214        1.7928882686        6.7230626435
  H        -0.4463662591       -1.9280035812        3.1214027293
  H        -0.8707014339        0.5805002536        3.0915374395
  H        -0.4222337896       -0.6006171396        5.2768918150
  H        -1.2909460410        2.8081140132        2.7220414738
  C        -1.1807946408        2.1137176791        5.3786848159
  H        -0.7058365784        0.7551821754        7.0201222459
  H        -0.9500210110        2.4301447879        7.5053738694
  H        -1.5970875865        3.1273054881        5.3665522908
  H        -1.9656707717        1.4156303634        5.0659381472
      81
 i =       28, E =     -1861.3759386041
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0493027737        2.0809557666        4.5695229740
  C         1.1818656052        2.5067062386        5.0862165194
  H         1.2403108617        3.5986200887        5.0124714227
  H         1.3648450892        2.8252995459        7.2180958414
  H         1.5716221694        1.1416139428        6.7454015563
  C         0.9968858611        2.0497375107        6.5370866755
  H         0.4551712151        3.1133213459        2.5313413875
  H         1.2920933332       -1.6392494849        2.9286727190
  H         0.8601338705        0.8682421495        2.8886759657
  H         1.3143317687       -0.3103465454        5.0738180199
  C         0.4846146630       -1.7267520683        3.6692449387
  C        -0.3746805731        3.0999729546        3.2461876536
  C         0.0684462739        0.7345683076        3.6403913556
  C         0.3718552595       -0.4622736135        4.5292848416
  N        -0.0769052955        2.0983423083        4.3247419129
  H        -0.4955148191        4.0909230743        3.6943436342
  H         0.7002851749       -2.5982105755        4.2989351551
  C        -0.5218440284        1.7928001037        6.7238600775
  H        -0.4459332559       -1.9274881331        3.1206183634
  H        -0.8711680520        0.5807041119        3.0912540340
  H        -0.4220057196       -0.6008390905        5.2766830637
  H        -1.2909263632        2.8077598441        2.7222336079
  C        -1.1808915076        2.1130393158        5.3785970846
  H        -0.7056873221        0.7548851616        7.0201938225
  H        -0.9498990962        2.4298667683        7.5056281195
  H        -1.5971555712        3.1271870256        5.3668236725
  H        -1.9654823161        1.4153923523        5.0661710659
      81
 i =       29, E =     -1861.3759435384
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0490849398        2.0806972575        4.5698510171
  C         1.1819445184        2.5065452432        5.0865670036
  H         1.2406195070        3.5982066716        5.0130054400
  H         1.3650539544        2.8248447436        7.2186629776
  H         1.5720109909        1.1408144066        6.7455893183
  C         0.9975144132        2.0494915664        6.5371735325
  H         0.4553464032        3.1139342129        2.5321565963
  H         1.2912391861       -1.6385855829        2.9274949852
  H         0.8602416336        0.8689423171        2.8882133061
  H         1.3140978877       -0.3109464291        5.0736521763
  C         0.4846878876       -1.7262082285        3.6685294687
  C        -0.3751748726        3.1015163599        3.2469310979
  C         0.0683419336        0.7352770164        3.6395771853
  C         0.3717973712       -0.4616394727        4.5283061658
  N        -0.0771286886        2.0982812166        4.3248479422
  H        -0.4960038517        4.0924403878        3.6967994784
  H         0.7002779648       -2.5987034710        4.2979399286
  C        -0.5220472258        1.7918599162        6.7243193941
  H        -0.4455889799       -1.9265488983        3.1187196209
  H        -0.8720310871        0.5812790931        3.0906151935
  H        -0.4216522168       -0.6013478660        5.2762041761
  H        -1.2911595401        2.8074978060        2.7224194959
  C        -1.1809099432        2.1131574102        5.3790524316
  H        -0.7052848123        0.7543843073        7.0205231827
  H        -0.9496912452        2.4293939429        7.5064476024
  H        -1.5972577027        3.1261946187        5.3676037416
  H        -1.9650920200        1.4146214773        5.0666247661
      81
 i =       30, E =     -1861.3759491971
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0488100881        2.0802779048        4.5702393344
  C         1.1819802863        2.5060290812        5.0871525326
  H         1.2411106249        3.5979433056        5.0137976982
  H         1.3653970133        2.8240742260        7.2194113061
  H         1.5724762787        1.1399955516        6.7458090614
  C         0.9980060926        2.0487881959        6.5371866933
  H         0.4551769983        3.1154510368        2.5334880395
  H         1.2909227793       -1.6375899500        2.9254225436
  H         0.8601004570        0.8700543811        2.8875000488
  H         1.3137640830       -0.3114958979        5.0730845518
  C         0.4841644131       -1.7260037164        3.6675130230
  C        -0.3756967216        3.1027686147        3.2485563364
  C         0.0677658336        0.7359754783        3.6386444500
  C         0.3715646869       -0.4609677255        4.5274529084
  N        -0.0772256451        2.0982341179        4.3256087378
  H        -0.4967876506        4.0938648872        3.6994964193
  H         0.7000787573       -2.5986815208        4.2960166589
  C        -0.5220324895        1.7917396632        6.7242921893
  H        -0.4452148512       -1.9252763621        3.1162927751
  H        -0.8724557599        0.5822766134        3.0899502312
  H        -0.4212170619       -0.6018298388        5.2752050073
  H        -1.2911254001        2.8080034467        2.7229406974
  C        -1.1806113232        2.1118330031        5.3800048494
  H        -0.7048547745        0.7530579793        7.0211785900
  H        -0.9492685264        2.4284078438        7.5074272361
  H        -1.5978237107        3.1256430435        5.3687873934
  H        -1.9644138255        1.4137397372        5.0673263122
      81
 i =       31, E =     -1861.3759544026
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0489063639        2.0801430597        4.5701611156
  C         1.1820225438        2.5061513883        5.0871012258
  H         1.2411456430        3.5978608971        5.0139040088
  H         1.3654007258        2.8237557266        7.2192590405
  H         1.5723986221        1.1401063909        6.7457631056
  C         0.9977654983        2.0486826576        6.5376431005
  H         0.4547412534        3.1159993838        2.5339676556
  H         1.2909168736       -1.6375396111        2.9255412280
  H         0.8597903040        0.8702098850        2.8874833445
  H         1.3138116755       -0.3112621749        5.0728131331
  C         0.4845134346       -1.7256302559        3.6666831761
  C        -0.3755130382        3.1025743144        3.2488433553
  C         0.0680422157        0.7358858376        3.6390421794
  C         0.3715605894       -0.4615047998        4.5271882197
  N        -0.0772201527        2.0984198120        4.3256308008
  H        -0.4969039727        4.0932102673        3.6992026428
  H         0.6999518209       -2.5984990667        4.2956979650
  C        -0.5215858986        1.7909061003        6.7249269916
  H        -0.4454841391       -1.9252687412        3.1162174368
  H        -0.8723088897        0.5824522068        3.0898921253
  H        -0.4215104609       -0.6016713796        5.2751477902
  H        -1.2908656669        2.8086274823        2.7232923573
  C        -1.1808329994        2.1124024729        5.3799119304
  H        -0.7047303663        0.7535090690        7.0210832286
  H        -0.9491647758        2.4282110330        7.5073231011
  H        -1.5978211902        3.1252422760        5.3689224124
  H        -1.9645237710        1.4134599593        5.0673643425
      81
 i =       32, E =     -1861.3759588304
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0489990798        2.0799262098        4.5700777502
  C         1.1820649876        2.5060043728        5.0873454829
  H         1.2412608680        3.5979154192        5.0141275628
  H         1.3655069161        2.8233780499        7.2192616415
  H         1.5723786818        1.1402068981        6.7457215925
  C         0.9974384444        2.0482764790        6.5378501898
  H         0.4542719552        3.1171402434        2.5346394839
  H         1.2915799592       -1.6373176639        2.9251312785
  H         0.8592658722        0.8705532462        2.8874569806
  H         1.3138093908       -0.3108909002        5.0721863527
  C         0.4843023231       -1.7256174722        3.6658280463
  C        -0.3753760955        3.1019866877        3.2494325442
  C         0.0680232188        0.7357969498        3.6394654440
  C         0.3716162223       -0.4620308200        4.5270341807
  N        -0.0771355005        2.0986113462        4.3260053154
  H        -0.4971823133        4.0923145108        3.6988668979
  H         0.6996597019       -2.5978221448        4.2947097530
  C        -0.5211304613        1.7911410987        6.7250624339
  H        -0.4458319176       -1.9251846870        3.1160546648
  H        -0.8717268159        0.5828540963        3.0899801951
  H        -0.4219511292       -0.6014553063        5.2748062940
  H        -1.2905377535        2.8098233466        2.7239201672
  C        -1.1807428862        2.1117086663        5.3802668645
  H        -0.7046761533        0.7531280732        7.0212357871
  H        -0.9489126027        2.4276816603        7.5072246497
  H        -1.5981660249        3.1253395073        5.3692598470
  H        -1.9644978363        1.4132249745        5.0675262303
      81
 i =       33, E =     -1861.3759624692
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0488458400        2.0797255168        4.5701958103
  C         1.1823202789        2.5058379266        5.0877644365
  H         1.2414872383        3.5978182606        5.0145660471
  H         1.3656887763        2.8228879727        7.2194577552
  H         1.5725554902        1.1398405905        6.7457939993
  C         0.9977927840        2.0483093273        6.5375853145
  H         0.4543692047        3.1185940852        2.5351411808
  H         1.2923910506       -1.6369443817        2.9243294068
  H         0.8586699061        0.8710629872        2.8875091347
  H         1.3139072513       -0.3106351531        5.0713834584
  C         0.4840961337       -1.7252645086        3.6647471686
  C        -0.3752792025        3.1016603969        3.2504327453
  C         0.0681872584        0.7359540712        3.6396376357
  C         0.3712605039       -0.4618417525        4.5268089438
  N        -0.0770331047        2.0978317943        4.3267584072
  H        -0.4976672740        4.0919926176        3.6991778703
  H         0.6993647296       -2.5974332372        4.2934072936
  C        -0.5213453593        1.7904708124        6.7246958378
  H        -0.4464156558       -1.9250022162        3.1154242241
  H        -0.8713031641        0.5834047358        3.0900784823
  H        -0.4222793030       -0.6013893189        5.2741108169
  H        -1.2908496128        2.8109684231        2.7244431635
  C        -1.1806795438        2.1117695092        5.3809416352
  H        -0.7044743656        0.7526987600        7.0215052950
  H        -0.9487332937        2.4273070552        7.5076530834
  H        -1.5984709591        3.1247724548        5.3698623709
  H        -1.9644098193        1.4127310033        5.0678158254
      81
 i =       34, E =     -1861.3759668480
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0486786324        2.0794085961        4.5704604531
  C         1.1826448067        2.5057428243        5.0880713646
  H         1.2418109870        3.5974314140        5.0152423244
  H         1.3659964762        2.8223372799        7.2199915661
  H         1.5727823748        1.1393013775        6.7458552915
  C         0.9985049451        2.0476389776        6.5376666919
  H         0.4546751863        3.1204120336        2.5360681390
  H         1.2927806063       -1.6362992080        2.9233428345
  H         0.8584137046        0.8719257645        2.8873605506
  H         1.3138910363       -0.3105654114        5.0702696979
  C         0.4841964552       -1.7241978518        3.6629666267
  C        -0.3752370508        3.1017705641        3.2512220441
  C         0.0680016213        0.7362835418        3.6399169136
  C         0.3712622204       -0.4613807805        4.5257638968
  N        -0.0769399335        2.0975538112        4.3274223946
  H        -0.4984001842        4.0923089734        3.7007200580
  H         0.6990377561       -2.5974153383        4.2915750619
  C        -0.5215779052        1.7898834978        6.7254328064
  H        -0.4470910467       -1.9245354656        3.1140625520
  H        -0.8712702408        0.5841930049        3.0900770597
  H        -0.4228384541       -0.6015254706        5.2732292991
  H        -1.2915198171        2.8120779546        2.7251939447
  C        -1.1811936666        2.1108335290        5.3812221883
  H        -0.7041065343        0.7518725302        7.0218340487
  H        -0.9482769164        2.4264150539        7.5080932006
  H        -1.5988983716        3.1240717794        5.3708451201
  H        -1.9638640020        1.4123199993        5.0685264573
      81
 i =       35, E =     -1861.3759708635
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0488428563        2.0793263765        4.5704032859
  C         1.1823925126        2.5055049114        5.0881828338
  H         1.2418382932        3.5975023298        5.0152833581
  H         1.3660298550        2.8222145192        7.2200284384
  H         1.5729269937        1.1390605201        6.7458640239
  C         0.9980693054        2.0476480009        6.5380670111
  H         0.4546573361        3.1203577915        2.5362817558
  H         1.2926227223       -1.6361371417        2.9231043707
  H         0.8584873586        0.8720161554        2.8873910628
  H         1.3138718370       -0.3106582201        5.0702547809
  C         0.4839286553       -1.7245720626        3.6630988659
  C        -0.3755374986        3.1024809638        3.2511764149
  C         0.0680603956        0.7366044936        3.6394504316
  C         0.3711643326       -0.4616227698        4.5258392677
  N        -0.0771265993        2.0980743636        4.3271594892
  H        -0.4983908808        4.0922626481        3.7011390972
  H         0.6989894946       -2.5971996638        4.2912007204
  C        -0.5210114255        1.7896920707        6.7253477891
  H        -0.4467238875       -1.9242646674        3.1138551351
  H        -0.8715606476        0.5842393420        3.0900138494
  H        -0.4226020527       -0.6016054849        5.2729690283
  H        -1.2913800784        2.8119304272        2.7253299410
  C        -1.1806141417        2.1111328606        5.3815468053
  H        -0.7040674089        0.7517482793        7.0218866314
  H        -0.9483380344        2.4264468672        7.5083593957
  H        -1.5989222737        3.1239240741        5.3709137898
  H        -1.9642229709        1.4118655274        5.0684249791
      81
 i =       36, E =     -1861.3759741681
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0489147858        2.0792205260        4.5704949149
  C         1.1822663253        2.5054579435        5.0881654560
  H         1.2419139260        3.5973160044        5.0154579467
  H         1.3661204284        2.8220479732        7.2202644071
  H         1.5730190987        1.1388725158        6.7458585467
  C         0.9980014548        2.0470345479        6.5386429950
  H         0.4545068429        3.1203549158        2.5368214900
  H         1.2918877271       -1.6358031798        2.9228157768
  H         0.8589561068        0.8723331049        2.8871569059
  H         1.3137700620       -0.3109569496        5.0702096139
  C         0.4839782673       -1.7244611237        3.6628077097
  C        -0.3758337269        3.1035228312        3.2510358315
  C         0.0676613390        0.7369620413        3.6389932262
  C         0.3712950586       -0.4617136087        4.5253231349
  N        -0.0772930821        2.0989553917        4.3267734393
  H        -0.4984877112        4.0928129098        3.7023766236
  H         0.6989857407       -2.5973700731        4.2907144357
  C        -0.5205504104        1.7896246903        6.7260741026
  H        -0.4462704269       -1.9237282725        3.1131076144
  H        -0.8721527302        0.5844142647        3.0898315649
  H        -0.4224016920       -0.6018368419        5.2726807092
  H        -1.2912678863        2.8116236856        2.7255199567
  C        -1.1806869832        2.1105344021        5.3814722083
  H        -0.7039104580        0.7514812211        7.0219394001
  H        -0.9481987563        2.4260786652        7.5085471518
  H        -1.5989918917        3.1237996880        5.3711981474
  H        -1.9640530712        1.4116775672        5.0686537268
      81
 i =       37, E =     -1861.3759786048
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0486840826        2.0790947578        4.5708542967
  C         1.1823246457        2.5052518574        5.0884603517
  H         1.2421789371        3.5970051882        5.0159954090
  H         1.3663134926        2.8214707519        7.2207380306
  H         1.5734015393        1.1381044578        6.7460099583
  C         0.9985754903        2.0468157125        6.5386648168
  H         0.4544778249        3.1208636837        2.5375099377
  H         1.2910295510       -1.6350877561        2.9217615022
  H         0.8593116109        0.8730046361        2.8868505815
  H         1.3135840734       -0.3114956480        5.0699231105
  C         0.4840258864       -1.7239486683        3.6621591080
  C        -0.3762877546        3.1049035584        3.2518259726
  C         0.0675887231        0.7376050075        3.6381720383
  C         0.3712373198       -0.4610738419        4.5243583134
  N        -0.0775076040        2.0989200792        4.3269074620
  H        -0.4988740723        4.0942687018        3.7046325554
  H         0.6989755821       -2.5978815694        4.2897104144
  C        -0.5207207244        1.7886936162        6.7264068546
  H        -0.4459112523       -1.9227686359        3.1113469922
  H        -0.8731841536        0.5849126615        3.0893833105
  H        -0.4220909086       -0.6023134142        5.2720438237
  H        -1.2914112651        2.8114183621        2.7256850357
  C        -1.1806970804        2.1106667197        5.3818573820
  H        -0.7035166239        0.7510131255        7.0221952213
  H        -0.9479894705        2.4255082947        7.5092678134
  H        -1.5990826391        3.1228925335        5.3719617381
  H        -1.9637167835        1.4110476504        5.0690932983
      81
 i =       38, E =     -1861.3759834721
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0484853979        2.0788139448        4.5711997958
  C         1.1823077189        2.5049216052        5.0889996452
  H         1.2425665447        3.5967555820        5.0167660304
  H         1.3666446080        2.8206720091        7.2213969552
  H         1.5738365778        1.1373213415        6.7461500695
  C         0.9990157857        2.0460926880        6.5385810293
  H         0.4541810891        3.1221458735        2.5385800172
  H         1.2907447839       -1.6340779119        2.9198977825
  H         0.8593630632        0.8740215739        2.8863643609
  H         1.3133313855       -0.3119340049        5.0692540503
  C         0.4835682434       -1.7237485144        3.6612239933
  C        -0.3767642041        3.1060540716        3.2533479108
  C         0.0670335711        0.7382442567        3.6372674206
  C         0.3710380683       -0.4604875205        4.5235691346
  N        -0.0775813949        2.0988546505        4.3276306002
  H        -0.4994825268        4.0955586571        3.7070032071
  H         0.6987864255       -2.5979033191        4.2879054855
  C        -0.5206977043        1.7885273181        6.7262700276
  H        -0.4456219709       -1.9215408745        3.1091466666
  H        -0.8736437358        0.5857955539        3.0889772131
  H        -0.4217703452       -0.6027189763        5.2709668354
  H        -1.2913990582        2.8119095243        2.7261541288
  C        -1.1804190817        2.1094814142        5.3826992950
  H        -0.7031118921        0.7497374172        7.0226985557
  H        -0.9476057690        2.4244988006        7.5101249194
  H        -1.5995763390        3.1224500230        5.3730669147
  H        -1.9631702880        1.4103474071        5.0697197679
      81
 i =       39, E =     -1861.3759880368
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0485590602        2.0787093869        4.5711211501
  C         1.1824114811        2.5049342489        5.0889421745
  H         1.2425779267        3.5967375946        5.0168707090
  H         1.3666479706        2.8203881426        7.2212716102
  H         1.5737697477        1.1373899275        6.7460739726
  C         0.9988144851        2.0460050268        6.5390447305
  H         0.4538264011        3.1226517557        2.5390214503
  H         1.2907882410       -1.6340329687        2.9199526364
  H         0.8589753227        0.8741679810        2.8863292897
  H         1.3133813859       -0.3117052441        5.0690212569
  C         0.4838668743       -1.7234135559        3.6604213705
  C        -0.3766191356        3.1058578711        3.2535138830
  C         0.0673438285        0.7381666011        3.6377336927
  C         0.3710346077       -0.4609800453        4.5232937624
  N        -0.0775904169        2.0990605764        4.3276008520
  H        -0.4995885487        4.0949862501        3.7067632588
  H         0.6986654147       -2.5977131411        4.2876014200
  C        -0.5203053668        1.7877448958        6.7269232330
  H        -0.4458893958       -1.9215337115        3.1090581506
  H        -0.8734380739        0.5859813416        3.0888753667
  H        -0.4220733100       -0.6025666878        5.2709716128
  H        -1.2912088101        2.8124925498        2.7265152371
  C        -1.1806460481        2.1100089743        5.3826296519
  H        -0.7029966209        0.7501092545        7.0225845311
  H        -0.9475044178        2.4243159377        7.5100312824
  H        -1.5995537743        3.1220780050        5.3731938754
  H        -1.9632853534        1.4100774486        5.0697387114
      81
 i =       40, E =     -1861.3759921158
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0487105580        2.0784807099        4.5709689497
  C         1.1824370672        2.5048732918        5.0892099184
  H         1.2426536994        3.5967534405        5.0171130931
  H         1.3667667412        2.8200651737        7.2213254586
  H         1.5737548669        1.1374233451        6.7459763124
  C         0.9985209022        2.0455613431        6.5392901795
  H         0.4534791682        3.1237584229        2.5396479598
  H         1.2914883114       -1.6338306052        2.9194673331
  H         0.8582764290        0.8745113302        2.8862478808
  H         1.3133696964       -0.3113368934        5.0684439934
  C         0.4836789818       -1.7233911463        3.6594783814
  C        -0.3764968421        3.1053701098        3.2539978508
  C         0.0673032749        0.7381224446        3.6382180445
  C         0.3710707238       -0.4615145621        4.5232140300
  N        -0.0774996200        2.0992445945        4.3279473652
  H        -0.4998485598        4.0941045234        3.7064548169
  H         0.6983722598       -2.5970109560        4.2866220795
  C        -0.5198644758        1.7879319605        6.7270937762
  H        -0.4462812827       -1.9214562652        3.1088418507
  H        -0.8726641375        0.5864241968        3.0888888258
  H        -0.4225104411       -0.6023378124        5.2707159452
  H        -1.2910483449        2.8136497041        2.7271639202
  C        -1.1805689133        2.1093221837        5.3830039893
  H        -0.7029449067        0.7496392871        7.0226858531
  H        -0.9472714171        2.4238256119        7.5099918215
  H        -1.5998572616        3.1221857608        5.3735321943
  H        -1.9632818955        1.4098319773        5.0698637995
      81
 i =       41, E =     -1861.3759954341
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0485517643        2.0783437570        4.5710528587
  C         1.1827156766        2.5046707984        5.0895675298
  H         1.2428171133        3.5966882926        5.0175528740
  H         1.3669407396        2.8196078507        7.2215475896
  H         1.5739403509        1.1369881122        6.7459812019
  C         0.9988662240        2.0456282820        6.5390664823
  H         0.4536547918        3.1250789070        2.5400661052
  H         1.2922521774       -1.6335017805        2.9186421087
  H         0.8575713156        0.8749896740        2.8862181112
  H         1.3134442648       -0.3111222700        5.0677680130
  C         0.4835051322       -1.7230187059        3.6584285786
  C        -0.3764279843        3.1050777893        3.2548490583
  C         0.0674861235        0.7383139049        3.6384357380
  C         0.3707190315       -0.4613403021        4.5230380205
  N        -0.0774169545        2.0985704102        4.3286842212
  H        -0.5002742193        4.0938406719        3.7067601832
  H         0.6980930421       -2.5966081373        4.2853812459
  C        -0.5200792663        1.7872392589        6.7267766882
  H        -0.4468458907       -1.9212832729        3.1081836904
  H        -0.8721513883        0.5869708281        3.0888585427
  H        -0.4227910444       -0.6022805171        5.2701652316
  H        -1.2914788005        2.8147072420        2.7276879943
  C        -1.1805128139        2.1093832539        5.3836131315
  H        -0.7027592972        0.7491636163        7.0228740878
  H        -0.9471156945        2.4234779523        7.5104523191
  H        -1.6000890230        3.1216688547        5.3741057799
  H        -1.9632064006        1.4093886737        5.0701010402
      81
 i =       42, E =     -1861.3759992778
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0483946954        2.0781212957        4.5712469641
  C         1.1829632128        2.5046530725        5.0898691588
  H         1.2430622018        3.5963305150        5.0182162396
  H         1.3672293958        2.8190752375        7.2220843031
  H         1.5741308820        1.1364673104        6.7459552806
  C         0.9995734273        2.0449358710        6.5391106298
  H         0.4539354643        3.1266619588        2.5408673758
  H         1.2925625985       -1.6329224693        2.9176717292
  H         0.8572731048        0.8757953501        2.8859711575
  H         1.3133911660       -0.3111242618        5.0668612342
  C         0.4835576877       -1.7219859690        3.6567890138
  C        -0.3764053265        3.1051802163        3.2555404496
  C         0.0673016388        0.7386421524        3.6387123947
  C         0.3707330046       -0.4608646098        4.5220808223
  N        -0.0773298643        2.0983281849        4.3292704954
  H        -0.5008901751        4.0941658465        3.7081363988
  H         0.6977958462       -2.5965522509        4.2836560438
  C        -0.5203293313        1.7866939827        6.7274576697
  H        -0.4474041140       -1.9208251547        3.1068719479
  H        -0.8720750693        0.5877192004        3.0887104975
  H        -0.4232392263       -0.6024399689        5.2694701080
  H        -1.2921878991        2.8157212064        2.7284289605
  C        -1.1809593719        2.1085837719        5.3838666618
  H        -0.7024244144        0.7483305407        7.0230949141
  H        -0.9466913109        2.4225771057        7.5108826645
  H        -1.6004066400        3.1210367017        5.3750323741
  H        -1.9627065634        1.4090636036        5.0707003620
      81
 i =       43, E =     -1861.3760028537
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0485171851        2.0780718925        4.5712107585
  C         1.1827526173        2.5043979139        5.0899631339
  H         1.2430874195        3.5964268779        5.0182648654
  H         1.3672569774        2.8189082427        7.2220972069
  H         1.5742808912        1.1362257616        6.7459672639
  C         0.9991286800        2.0449899126        6.5394860655
  H         0.4538629687        3.1266040453        2.5410783241
  H         1.2923840036       -1.6327546940        2.9174697909
  H         0.8573818375        0.8758876399        2.8860243331
  H         1.3133752513       -0.3112189001        5.0668379808
  C         0.4833386326       -1.7223243112        3.6569106884
  C        -0.3766807915        3.1058433974        3.2555273850
  C         0.0673507787        0.7389405533        3.6382055483
  C         0.3706248083       -0.4610909851        4.5221581394
  N        -0.0775064290        2.0988024048        4.3290213312
  H        -0.5008731584        4.0941170604        3.7085086280
  H         0.6977493516       -2.5963585017        4.2832935319
  C        -0.5197691953        1.7864862553        6.7273434906
  H        -0.4470686774       -1.9205585849        3.1066677470
  H        -0.8723839005        0.5877618968        3.0886774261
  H        -0.4229959228       -0.6025193202        5.2691895309
  H        -1.2920208127        2.8155985628        2.7285664469
  C        -1.1804343178        2.1088193584        5.3841707733
  H        -0.7023862647        0.7482402213        7.0231376269
  H        -0.9467468320        2.4225813149        7.5111361380
  H        -1.6004388612        3.1209298515        5.3751065043
  H        -1.9630169536        1.4086721979        5.0706148427
      81
 i =       44, E =     -1861.3760059263
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0485780525        2.0780011109        4.5712976606
  C         1.1825960153        2.5044124687        5.0899661153
  H         1.2431554023        3.5962652664        5.0184427278
  H         1.3673453409        2.8186948153        7.2223015855
  H         1.5743514135        1.1360935680        6.7459608285
  C         0.9990596315        2.0443711266        6.5399590314
  H         0.4536228406        3.1265861220        2.5415694759
  H         1.2917021864       -1.6324057325        2.9172232523
  H         0.8579184704        0.8761919832        2.8858449392
  H         1.3132801433       -0.3114972147        5.0667682578
  C         0.4833567682       -1.7222186095        3.6566710525
  C        -0.3769472454        3.1067621590        3.2554797275
  C         0.0669801453        0.7392378130        3.6377329189
  C         0.3707658589       -0.4611497666        4.5216335567
  N        -0.0776539785        2.0995542288        4.3286563854
  H        -0.5009420447        4.0946173065        3.7095882467
  H         0.6977455307       -2.5965306128        4.2828222996
  C        -0.5193455933        1.7864315475        6.7279626687
  H        -0.4466459026       -1.9200373904        3.1059920677
  H        -0.8730215472        0.5879139384        3.0885558020
  H        -0.4228102923       -0.6027431742        5.2688729416
  H        -1.2918507119        2.8153572453        2.7287561714
  C        -1.1804778766        2.1083276053        5.3841150186
  H        -0.7022362916        0.7480181090        7.0231780849
  H        -0.9466022759        2.4221599683        7.5112768480
  H        -1.6005002087        3.1208203428        5.3753890483
  H        -1.9628699299        1.4085222335        5.0708193349
      81
 i =       45, E =     -1861.3760099544
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0483159349        2.0779759693        4.5716567917
  C         1.1826660290        2.5042016658        5.0902068413
  H         1.2433694278        3.5960460265        5.0189695176
  H         1.3675194957        2.8180425008        7.2226998876
  H         1.5747049991        1.1353890779        6.7460842696
  C         0.9996155190        2.0442084773        6.5398739470
  H         0.4534708425        3.1270285247        2.5421377834
  H         1.2909325851       -1.6316843584        2.9162930510
  H         0.8583771872        0.8768171418        2.8856250923
  H         1.3131233030       -0.3119709758        5.0664396999
  C         0.4833958939       -1.7217209471        3.6560669272
  C        -0.3773310567        3.1078971788        3.2563096306
  C         0.0669466561        0.7397758161        3.6369649682
  C         0.3707075825       -0.4605311764        4.5207033990
  N        -0.0778383427        2.0994614522        4.3288549399
  H        -0.5012579089        4.0959774682        3.7115599937
  H         0.6977356441       -2.5970428923        4.2818878206
  C        -0.5195557025        1.7855402036        6.7281737017
  H        -0.4463606021       -1.9191250045        3.1044050418
  H        -0.8740777745        0.5883528682        3.0882169362
  H        -0.4225387138       -0.6031762183        5.2681969604
  H        -1.2919505386        2.8152406287        2.7289125792
  C        -1.1805166705        2.1084760142        5.3844279700
  H        -0.7018704922        0.7476055889        7.0233768116
  H        -0.9463914242        2.4215249176        7.5119058625
  H        -1.6005629775        3.1200244796        5.3761192858
  H        -1.9625507285        1.4080365321        5.0712289113
      81
 i =       46, E =     -1861.3760142883
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0481480831        2.0777839132        4.5719794896
  C         1.1826040587        2.5039919337        5.0907238011
  H         1.2436876887        3.5957893705        5.0197697259
  H         1.3678597541        2.8171650472        7.2233495461
  H         1.5751368868        1.1345851683        6.7461711724
  C         1.0000479731        2.0434144008        6.5397597132
  H         0.4530805977        3.1281698512        2.5431151330
  H         1.2905792170       -1.6305994922        2.9145157226
  H         0.8585966019        0.8778267406        2.8852259949
  H         1.3128860466       -0.3123995431        5.0657086883
  C         0.4829972830       -1.7215042620        3.6551210495
  C        -0.3778182971        3.1091100700        3.2577915626
  C         0.0663844575        0.7404237802        3.6360123585
  C         0.3705445906       -0.4599759526        4.5198622809
  N        -0.0779200648        2.0994414981        4.3295253562
  H        -0.5017777550        4.0972934869        3.7138875146
  H         0.6975502314       -2.5971264559        4.2800845465
  C        -0.5195079363        1.7852812530        6.7280327835
  H        -0.4460970094       -1.9178441854        3.1022291139
  H        -0.8746525950        0.5891996840        3.0879053656
  H        -0.4222450701       -0.6035821858        5.2670372312
  H        -1.2919635505        2.8157018440        2.7293924063
  C        -1.1802675676        2.1073819133        5.3852046547
  H        -0.7014576986        0.7463310212        7.0237885931
  H        -0.9460094569        2.4204193007        7.5127452439
  H        -1.6009870931        3.1196088663        5.3772368654
  H        -1.9620585653        1.4074246317        5.0718296885
      81
 i =       47, E =     -1861.3760186544
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0482416725        2.0776900443        4.5718774022
  C         1.1827217644        2.5039125325        5.0906667623
  H         1.2436787998        3.5958239131        5.0198710037
  H         1.3678650272        2.8168981022        7.2232333037
  H         1.5750800965        1.1346197392        6.7460590502
  C         0.9997909416        2.0433088896        6.5403118240
  H         0.4527560548        3.1286613240        2.5435652492
  H         1.2906650287       -1.6305593831        2.9145162927
  H         0.8581324698        0.8779718863        2.8851891228
  H         1.3129480267       -0.3121574930        5.0654809355
  C         0.4832294483       -1.7212262159        3.6543283285
  C        -0.3777131678        3.1089549473        3.2578494997
  C         0.0667043635        0.7403765899        3.6365147050
  C         0.3705275114       -0.4605081659        4.5196112536
  N        -0.0779505777        2.0997511607        4.3294269934
  H        -0.5018699819        4.0966995227        3.7136701099
  H         0.6974187778       -2.5968790646        4.2797403696
  C        -0.5190498503        1.7845398192        6.7287222917
  H        -0.4463287898       -1.9178290929        3.1021460208
  H        -0.8743704081        0.5894006184        3.0877878902
  H        -0.4225585465       -0.6034218941        5.2670563240
  H        -1.2917953326        2.8162801801        2.7297926729
  C        -1.1804437457        2.1078499585        5.3851769683
  H        -0.7013510028        0.7466296870        7.0236527940
  H        -0.9459115508        2.4202453951        7.5126597343
  H        -1.6009640356        3.1192799003        5.3773556892
  H        -1.9622222030        1.4071335819        5.0718217775
      81
 i =       48, E =     -1861.3760221247
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0484241833        2.0774915453        4.5716987482
  C         1.1827137835        2.5039167148        5.0909279883
  H         1.2437164282        3.5958005302        5.0200887686
  H         1.3679806274        2.8166768198        7.2233248911
  H         1.5750752116        1.1345929665        6.7459297979
  C         0.9995541615        2.0428680410        6.5405516779
  H         0.4525511576        3.1295823849        2.5440625450
  H         1.2912809018       -1.6304053531        2.9140420988
  H         0.8574368728        0.8782653889        2.8850977081
  H         1.3129370821       -0.3118476725        5.0649938785
  C         0.4830634567       -1.7212126209        3.6535015196
  C        -0.3776358820        3.1086277579        3.2581710191
  C         0.0666234657        0.7403912140        3.6369583660
  C         0.3705520911       -0.4609535828        4.5196057400
  N        -0.0778701350        2.0999327390        4.3296970109
  H        -0.5020739475        4.0959550030        3.7134503298
  H         0.6971612239       -2.5962476045        4.2788722513
  C        -0.5186679092        1.7847279181        6.7288817679
  H        -0.4466612005       -1.9177661717        3.1019264004
  H        -0.8735760219        0.5898036265        3.0877737907
  H        -0.4229446324       -0.6032236269        5.2668696205
  H        -1.2917771871        2.8172334470        2.7303589695
  C        -1.1803624896        2.1071956820        5.3855248182
  H        -0.7013126284        0.7461126249        7.0237055245
  H        -0.9457248631        2.4198508203        7.5126649632
  H        -1.6012069321        3.1194024245        5.3776463132
  H        -1.9622414864        1.4069343217        5.0719094388
      81
 i =       49, E =     -1861.3760254910
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0482650677        2.0773932357        4.5717557737
  C         1.1830357693        2.5036890055        5.0912807033
  H         1.2438415336        3.5957380022        5.0205681826
  H         1.3681651390        2.8162090065        7.2235785307
  H         1.5752700522        1.1340858256        6.7458661589
  C         0.9999286800        2.0429149743        6.5403506301
  H         0.4527615254        3.1309522671        2.5444682979
  H         1.2920746391       -1.6300965317        2.9131464784
  H         0.8565730156        0.8787640981        2.8850174965
  H         1.3130062790       -0.3116161824        5.0643068487
  C         0.4829200962       -1.7207629785        3.6523411718
  C        -0.3775631716        3.1082840179        3.2589727188
  C         0.0668323347        0.7406092909        3.6373078710
  C         0.3702121925       -0.4607924295        4.5194328050
  N        -0.0777867963        2.0993034674        4.3304830093
  H        -0.5024894538        4.0956692354        3.7137488132
  H         0.6968596516       -2.5957870957        4.2775542869
  C        -0.5188989783        1.7839994814        6.7286356718
  H        -0.4472686421       -1.9176017550        3.1012051415
  H        -0.8729158695        0.5904011307        3.0876640279
  H        -0.4232895460       -0.6031497529        5.2663866454
  H        -1.2923181412        2.8183631659        2.7309421993
  C        -1.1803490657        2.1071980409        5.3861220588
  H        -0.7011225910        0.7455339194        7.0238336039
  H        -0.9455547475        2.4194649481        7.5131424617
  H        -1.6014091110        3.1188929109        5.3782505237
  H        -1.9621613408        1.4065291921        5.0721420728
      81
 i =       50, E =     -1861.3760287815
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0481393501        2.0772463537        4.5718978462
  C         1.1832072265        2.5037351797        5.0915448990
  H         1.2440230994        3.5954065772        5.0212035517
  H         1.3684304432        2.8156868161        7.2240812010
  H         1.5754217678        1.1336080605        6.7457718583
  C         1.0005765584        2.0421822919        6.5404319482
  H         0.4529597930        3.1323229276        2.5451844061
  H         1.2922758369       -1.6295787517        2.9122479217
  H         0.8563067655        0.8795134473        2.8847348589
  H         1.3129461580       -0.3116524635        5.0635459934
  C         0.4829562594       -1.7197586687        3.6508263526
  C        -0.3775525801        3.1083981077        3.2595636091
  C         0.0666479781        0.7409155428        3.6375844032
  C         0.3702436017       -0.4603629977        4.5185309224
  N        -0.0777126400        2.0991579487        4.3309615640
  H        -0.5029976770        4.0959705638        3.7149840009
  H         0.6965932729       -2.5957256148        4.2759612519
  C        -0.5190944026        1.7834618804        6.7293448272
  H        -0.4477099628       -1.9171556927        3.0999708917
  H        -0.8728582073        0.5910933028        3.0874484289
  H        -0.4236786537       -0.6033111170        5.2658165512
  H        -1.2929899815        2.8192825391        2.7316580611
  C        -1.1807546656        2.1065258348        5.3863133744
  H        -0.7008095588        0.7447560595        7.0239534928
  H        -0.9451543257        2.4185611529        7.5135183349
  H        -1.6016401106        3.1183204538        5.3791145111
  H        -1.9617289536        1.4062801796        5.0726572432
      81
 i =       51, E =     -1861.3760318865
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0482153505        2.0772296810        4.5718805702
  C         1.1830417800        2.5034716061        5.0916344925
  H         1.2440430622        3.5955306398        5.0212459216
  H         1.3684502879        2.8155143221        7.2240757664
  H         1.5755730561        1.1333749471        6.7457941337
  C         1.0001610591        2.0423106964        6.5407065652
  H         0.4528804097        3.1322450493        2.5453375388
  H         1.2921325243       -1.6294246831        2.9120729358
  H         0.8564216249        0.8795834098        2.8848111545
  H         1.3129295494       -0.3117429512        5.0635365704
  C         0.4827601127       -1.7201064798        3.6509957201
  C        -0.3777990955        3.1089674651        3.2595884928
  C         0.0666942560        0.7411775416        3.6370561265
  C         0.3701193423       -0.4605405241        4.5186539156
  N        -0.0778684799        2.0995141633        4.3307661242
  H        -0.5029703048        4.0959328337        3.7152686495
  H         0.6965549756       -2.5955461023        4.2756582622
  C        -0.5186101633        1.7832905790        6.7291128311
  H        -0.4474254444       -1.9169222324        3.0998044074
  H        -0.8731445345        0.5911190507        3.0874453457
  H        -0.4234227968       -0.6033818858        5.2655451316
  H        -1.2928233274        2.8191685216        2.7317622335
  C        -1.1802642731        2.1067165900        5.3866154639
  H        -0.7007867290        0.7446789722        7.0239992700
  H        -0.9452195983        2.4185783968        7.5137647945
  H        -1.6016757015        3.1182694208        5.3791742205
  H        -1.9619956467        1.4059601317        5.0725739388
      81
 i =       52, E =     -1861.3760350077
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0482648512        2.0771808528        4.5719739681
  C         1.1828516201        2.5035106026        5.0916608394
  H         1.2441100551        3.5953912564        5.0214524744
  H         1.3685465505        2.8152275040        7.2242766848
  H         1.5756498037        1.1332450318        6.7457923981
  C         1.0000768211        2.0416786416        6.5411270771
  H         0.4525728003        3.1322134203        2.5458285909
  H         1.2914524882       -1.6290211414        2.9118116825
  H         0.8570447346        0.8799089585        2.8846590967
  H         1.3128222294       -0.3120363586        5.0634591470
  C         0.4827354419       -1.7200289024        3.6507806785
  C        -0.3780785223        3.1098991249        3.2596240080
  C         0.0663245005        0.7414694316        3.6364865009
  C         0.3702538601       -0.4605793395        4.5181004053
  N        -0.0780221123        2.1002140243        4.3303969911
  H        -0.5030280770        4.0964462274        3.7163352816
  H         0.6965505259       -2.5957225621        4.2751527748
  C        -0.5181768256        1.7832154089        6.7296431851
  H        -0.4469964182       -1.9163567805        3.0991112105
  H        -0.8738781159        0.5912724065        3.0873501448
  H        -0.4231937557       -0.6036207672        5.2651680038
  H        -1.2926098937        2.8189500706        2.7319715185
  C        -1.1802554740        2.1062942288        5.3865994144
  H        -0.7006293806        0.7444643570        7.0240427525
  H        -0.9450678653        2.4180880441        7.5139184168
  H        -1.6017338691        3.1181603512        5.3794904827
  H        -1.9618676155        1.4058022090        5.0727705454
      81
 i =       53, E =     -1861.3760383237
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0480075120        2.0772167661        4.5722905154
  C         1.1829344560        2.5033128656        5.0918302848
  H         1.2442643139        3.5952596315        5.0219328375
  H         1.3686903259        2.8145726816        7.2245850228
  H         1.5759500317        1.1326417290        6.7458806104
  C         1.0005762547        2.0415924818        6.5409902419
  H         0.4523686798        3.1325939823        2.5462749970
  H         1.2908311262       -1.6283689858        2.9110525961
  H         0.8574734885        0.8804466757        2.8844992946
  H         1.3126832621       -0.3124136051        5.0631501318
  C         0.4827885154       -1.7195543814        3.6502066989
  C        -0.3783668348        3.1107341067        3.2604010347
  C         0.0663636458        0.7418745597        3.6358796675
  C         0.3702074762       -0.4600494881        4.5172536837
  N        -0.0781678974        2.1000853837        4.3306282424
  H        -0.5032798465        4.0976062995        3.7179243729
  H         0.6965416403       -2.5961917646        4.2743741086
  C        -0.5184036201        1.7823788847        6.7298036685
  H        -0.4468282673       -1.9155740275        3.0977819817
  H        -0.8748286816        0.5916421045        3.0870781062
  H        -0.4229837017       -0.6039743805        5.2645711619
  H        -1.2926926938        2.8189267467        2.7321230145
  C        -1.1803333332        2.1065028031        5.3868164431
  H        -0.7003114847        0.7441538264        7.0241758484
  H        -0.9448684112        2.4174619872        7.5144249373
  H        -1.6017557025        3.1174873031        5.3801391086
  H        -1.9615965507        1.4054382977        5.0731182616
      81
 i =       54, E =     -1861.3760399784
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0480868609        2.0771506341        4.5722310502
  C         1.1828598860        2.5033815742        5.0919324520
  H         1.2442785665        3.5952350583        5.0219915135
  H         1.3687469379        2.8145683216        7.2246657334
  H         1.5759462380        1.1326631343        6.7458466606
  C         1.0004810213        2.0413141618        6.5409862068
  H         0.4523085300        3.1328019632        2.5463726286
  H         1.2910479804       -1.6282913837        2.9108037566
  H         0.8573449479        0.8805379924        2.8844511111
  H         1.3126652840       -0.3123616305        5.0630227690
  C         0.4826199956       -1.7197256323        3.6501454344
  C        -0.3783873521        3.1107195015        3.2605510774
  C         0.0661251798        0.7418911847        3.6358546259
  C         0.3701785787       -0.4601277255        4.5173867299
  N        -0.0781122967        2.1001292533        4.3307706142
  H        -0.5033213689        4.0974734219        3.7179068374
  H         0.6964730151       -2.5959738733        4.2741117270
  C        -0.5182772809        1.7827244342        6.7296399774
  H        -0.4468519958       -1.9155072248        3.0976883791
  H        -0.8745291804        0.5917609150        3.0871286861
  H        -0.4229981841       -0.6039297353        5.2644409524
  H        -1.2926714026        2.8191336966        2.7322322630
  C        -1.1802121230        2.1059840880        5.3869806040
  H        -0.7003278269        0.7438239904        7.0242351972
  H        -0.9448277505        2.4173437687        7.5144634719
  H        -1.6018856818        3.1177165693        5.3802222431
  H        -1.9615630007        1.4054397555        5.0731516030
      81
 i =       55, E =     -1861.3760405240
 Au        -4.3256400000        5.8272900000       -2.3545800000
 Au        -1.4418800000        5.8272900000       -2.3545800000
 Au        -2.8837600000        3.3298800000       -2.3545800000
 Au        -2.8837600000        6.6597500000        0.0000000000
 Au        -4.3256400000        0.8324700000       -2.3545800000
 Au        -5.7675200000       -1.6649400000       -2.3545800000
 Au        -5.7675200000        3.3298800000       -2.3545800000
 Au        -4.3256400000        4.1623500000        0.0000000000
 Au        -5.7675200000        1.6649400000        0.0000000000
 Au        -5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000        5.8272900000       -2.3545800000
 Au         4.3256400000        5.8272900000       -2.3545800000
 Au         2.8837600000        3.3298800000       -2.3545800000
 Au         2.8837600000        6.6597500000        0.0000000000
 Au        -1.4418800000        0.8324700000       -2.3545800000
 Au         1.4418800000        0.8324700000       -2.3545800000
 Au         0.0000000000       -1.6649400000       -2.3545800000
 Au         0.0000000000        3.3298800000       -2.3545800000
 Au        -1.4418800000        4.1623500000        0.0000000000
 Au         1.4418800000        4.1623500000        0.0000000000
 Au         0.0000000000        1.6649400000        0.0000000000
 Au         0.0000000000        6.6597500000        0.0000000000
 Au        -4.3256400000       -4.1623500000       -2.3545800000
 Au        -1.4418800000       -4.1623500000       -2.3545800000
 Au        -2.8837600000       -6.6597500000       -2.3545800000
 Au        -2.8837600000       -1.6649400000       -2.3545800000
 Au        -4.3256400000       -0.8324700000        0.0000000000
 Au        -1.4418800000       -0.8324700000        0.0000000000
 Au        -2.8837600000       -3.3298800000        0.0000000000
 Au        -2.8837600000        1.6649400000        0.0000000000
 Au        -5.7675200000       -6.6597500000       -2.3545800000
 Au        -4.3256400000       -5.8272900000        0.0000000000
 Au        -5.7675200000       -3.3298800000        0.0000000000
 Au         4.3256400000        0.8324700000       -2.3545800000
 Au         5.7675200000       -1.6649400000       -2.3545800000
 Au         5.7675200000        3.3298800000       -2.3545800000
 Au         4.3256400000        4.1623500000        0.0000000000
 Au         5.7675200000        1.6649400000        0.0000000000
 Au         5.7675200000        6.6597500000        0.0000000000
 Au         1.4418800000       -4.1623500000       -2.3545800000
 Au         4.3256400000       -4.1623500000       -2.3545800000
 Au         2.8837600000       -6.6597500000       -2.3545800000
 Au         2.8837600000       -1.6649400000       -2.3545800000
 Au         1.4418800000       -0.8324700000        0.0000000000
 Au         4.3256400000       -0.8324700000        0.0000000000
 Au         2.8837600000       -3.3298800000        0.0000000000
 Au         2.8837600000        1.6649400000        0.0000000000
 Au         0.0000000000       -6.6597500000       -2.3545800000
 Au        -1.4418800000       -5.8272900000        0.0000000000
 Au         1.4418800000       -5.8272900000        0.0000000000
 Au         0.0000000000       -3.3298800000        0.0000000000
 Au         5.7675200000       -6.6597500000       -2.3545800000
 Au         4.3256400000       -5.8272900000        0.0000000000
 Au         5.7675200000       -3.3298800000        0.0000000000
  H         2.0480876370        2.0771499695        4.5722304809
  C         1.1828591408        2.5033822487        5.0919335014
  H         1.2442787259        3.5952347968        5.0219921545
  H         1.3687475243        2.8145682120        7.2246665799
  H         1.5759462297        1.1326632903        6.7458463264
  C         1.0004801089        2.0413113406        6.5409861523
  H         0.4523079017        3.1328041030        2.5463736599
  H         1.2910501096       -1.6282905342        2.9108011660
  H         0.8573436919        0.8805389690        2.8844506083
  H         1.3126650884       -0.3123611431        5.0630214511
  C         0.4826182980       -1.7197273154        3.6501447579
  C        -0.3783875883        3.1107194375        3.2605526714
  C         0.0661227739        0.7418913932        3.6358543122
  C         0.3701782821       -0.4601284631        4.5173879896
  N        -0.0781117494        2.1001296837        4.3307720761
  H        -0.5033218137        4.0974721952        3.7179068192
  H         0.6964723207       -2.5959717184        4.2741089976
  C        -0.5182760269        1.7827278424        6.7296383393
  H        -0.4468522187       -1.9155064714        3.0976873002
  H        -0.8745262490        0.5917621526        3.0871291700
  H        -0.4229983094       -0.6039293195        5.2644395769
  H        -1.2926711958        2.8191357855        2.7322333821
  C        -1.1802109059        2.1059788671        5.3869822846
  H        -0.7003279602        0.7438206262        7.0242358103
  H        -0.9448273197        2.4173425114        7.5144639120
  H        -1.6018869975        3.1177188188        5.3802231481
  H        -1.9615626346        1.4054397338        5.0731519747
