 C  N Ni Co  O  H                       
   1.00000000000000     
     9.8736660799999996    0.0000000000000000    0.0000000000000000
    -4.9368330399999980    8.5508456537647159    0.0000000000000000
     0.0000000000000006    0.0000000000000011   15.6500000000000004
   C    N    Ni   Co   O    H 
    20     8     1     1     1     1
Direct
  0.0787390447292365  0.1595342825953326  0.4722745204613058
  0.1632153681447056  0.0748989412239465  0.4720390494417259
  0.0791243570497608  0.4108447691535126  0.4722155872502581
  0.1627010277602718  0.3233690888944675  0.4726628303367725
  0.0922268353136582  0.6589226812215256  0.4716664558899112
  0.0886632100695508  0.9104673396028028  0.4719968092055054
  0.1742454573650547  0.8248656774814616  0.4720161698270713
  0.3272195999469368  0.1586559055631406  0.4718851386118775
  0.4151851456008334  0.0745805681371995  0.4721552499181006
  0.3401967888444696  0.9069161425492002  0.4723414131582137
  0.6623876980446423  0.0867768443867656  0.4727122730344838
  0.5882445209757765  0.9199934324838535  0.4726243722490273
  0.6757145560224680  0.8364136384679429  0.4724843228371339
  0.8287910514411730  0.1702911839414421  0.4727662716748018
  0.9140571123789795  0.0850475367719765  0.4724572633314843
  0.9123368855724874  0.3366968999753647  0.4722303100484233
  0.8404999533674040  0.6719275150466181  0.4711904221860110
  0.9245553681873625  0.5838881428782294  0.4712294085406253
  0.8395623655211542  0.9203807620277438  0.4721572995124388
  0.9242450140812331  0.8359380503780033  0.4717321317193217
  0.4281082139532492  0.8312662143296612  0.4726902408608498
  0.1678581665553032  0.5709852729499577  0.4717015934066321
  0.5969740666634796  0.6750885528588165  0.4723851593910293
  0.3240082271098647  0.4020520132549926  0.4733366082864948
  0.6790391760358211  0.5923207068959196  0.4706605328880606
  0.4068346058716955  0.3201181229287072  0.4715222431860251
  0.8362383279381113  0.4251382027026975  0.4705666285807471
  0.5739581235678982  0.1629391342579062  0.4717489986030118
  0.3809120676766848  0.6181347324295506  0.4724535497643996
  0.6220109954284228  0.3775036191061087  0.4845331912293955
  0.6299541750733761  0.3763756434700778  0.6053623834433081
  0.5861169282702022  0.4397905051706540  0.6259523698475492
 
  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
  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
