Ni  H  C  O                             
   1.00000000000000     
     6.4156000000000004    0.0000000000000000    0.0000000000000000
    -2.2581896829999999   14.8997471580000003    0.0000000000000000
    -2.0648246590000001   -7.3424436550000003   12.8876150060000008
   Ni   H    C    O 
     6     6    24    19
Direct
  0.8981237456138729  0.4938454401733807  0.2310636994210071
  0.1403415773650352  0.5757083100685279  0.8173366441421450
  0.4368940502810261  0.2576225071271381  0.0681980335066470
  0.5645502050553048  0.7380262538838309  0.9298586274047480
  0.1801469364961932  0.3184449594996153  0.2320398303803870
  0.8262896080048847  0.6880166868792443  0.7649421553491749
  0.3763460115131991  0.5388498891664000  0.4822831840574295
  0.6330487620119030  0.4600509137230517  0.5270401076411559
  0.1763275933934523  0.5634143759626369  0.0474571904666021
  0.8070135670059813  0.4226496857214812  0.9432777123106462
  0.3939518088740428  0.0225192343850651  0.0596246861535121
  0.6099990915697617  0.9749413997586487  0.9338989405251965
  0.1841524707387308  0.5481820909436550  0.5916238184062976
  0.8253937585712876  0.4522982259663664  0.4182829792393932
  0.3547856035184580  0.4517620060685417  0.0399880039681548
  0.6236122298088560  0.5317664010241998  0.9473188013698461
  0.9085297707579940  0.0855729985947846  0.0330456798873726
  0.0948995406432758  0.9122124339529947  0.9614176086290200
  0.0399362476162040  0.4738871261783046  0.4050842609411802
  0.9702713786892829  0.5267890943680271  0.6051329122082905
  0.5311448198911393  0.4069509317550128  0.0070951840163929
  0.4373616666400366  0.5706417414379956  0.9734725931958081
  0.1360960031556075  0.0991033079407089  0.0680800908152150
  0.8686212447480059  0.8982752015536519  0.9257399444695977
  0.2137031805642238  0.5217070448349830  0.4927055934743336
  0.7961706869405418  0.4769786973263379  0.5169466962582518
  0.3123830755487731  0.5313764121525324  0.0225666269410283
  0.6651319003702554  0.4517441091100309  0.9632519278563549
  0.2211425009542083  0.0114141549709572  0.0321075699271987
  0.7827107190369276  0.9858466243129129  0.9616410789917396
  0.6306609371377476  0.4118011171422680  0.3311435046758575
  0.3801991315689506  0.5922592368793147  0.6768622430091824
  0.2158194095406500  0.4192649222151061  0.0948173885882753
  0.7833008726441903  0.5793749913512301  0.9102692774837209
  0.7943162914261706  0.1713027974124444  0.0737599625343748
  0.2055652194612776  0.8271079714731542  0.9213458032748463
  0.6408468619480061  0.4253660333933240  0.2536970570953443
  0.3762326884924008  0.5876490146493296  0.7601204718979631
  0.2381838721694436  0.3401979945394302  0.1064937150404504
  0.7859963346668195  0.6683820660729367  0.9188744383260001
  0.8763355371110819  0.2539204568850195  0.1602546319888134
  0.1171030766597312  0.7442185234388035  0.8342451256492751
  0.4520483022594775  0.3672531951941025  0.3378561508838445
  0.5591091121668654  0.6300938477980011  0.6645837880796819
  0.0736977322941286  0.4671013528398902  0.1280407584515615
  0.9276176443150703  0.5322388752256231  0.8738405046051554
  0.6035788600576524  0.1558483144202469  0.0209099976896070
  0.3958485523082018  0.8384743319079675  0.9705046274409170
  0.0841139215631799  0.4518221729185470  0.3129811061334564
  0.9228354342071938  0.5549460285885743  0.6985869763962143
  0.5828723273504650  0.3292635940690118  0.0151277020542011
  0.3701116431887570  0.6407055085347508  0.9511915117182568
  0.2784243622130873  0.1909950206336646  0.1333993915243141
  0.7282899397669951  0.8045473834432286  0.8614805761059046
  0.8548425074042996  0.6097695057713466  0.2599844888631537
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
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  0.00000000E+00  0.00000000E+00  0.00000000E+00
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  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
