 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 
    22     6     1     1     1     1
Direct
  0.0756187550022685  0.1609026045550985  0.4640574408257971
  0.0821202770292487  0.4163100057804734  0.4638656838201640
  0.1617137097875125  0.3315735043653343  0.4658181616859018
  0.0892206773321477  0.6731716938160865  0.4648544917869117
  0.1661966690054807  0.5843906151441804  0.4660505114826679
  0.0842944096682509  0.9219948436709564  0.4667196692008355
  0.1747040003447329  0.8442662922290872  0.4683384162462372
  0.3304815165652509  0.6662492314622765  0.4708590999863757
  0.4067499963252332  0.5758236068857696  0.4745749608131047
  0.3430408115064994  0.9289492780619650  0.4727439448865580
  0.4171828137694946  0.8351256294556317  0.4725223548213666
  0.5928714660899196  0.1711230281720058  0.4716503579147414
  0.6689813671708240  0.0803087797194580  0.4689788914045790
  0.5822297007814928  0.9116919141818086  0.4722512033869524
  0.6565809556004943  0.8183765747780233  0.4738527899533400
  0.8331838445636798  0.1618139527918221  0.4647554217405889
  0.9098575356744322  0.0729537585764208  0.4645586685203018
  0.8376075711362052  0.4141024246946524  0.4636253340116657
  0.9176284953597401  0.3297644633753430  0.4628476310996583
  0.9235971216808708  0.5847666588714980  0.4626011948502702
  0.8245323304910690  0.9020865014218952  0.4685674130449532
  0.9140594392599233  0.8236576709934947  0.4660490592647006
  0.5677397340333864  0.6533904019123267  0.4798542343863100
  0.3228869586327883  0.4115886542529324  0.4711135679495298
  0.1580332416209404  0.0831468184386891  0.4678780673593160
  0.8393321692993111  0.6614661258019239  0.4645656723882473
  0.6769603719415935  0.3348163872975451  0.4680093229475484
  0.4325592246379280  0.0933786480066254  0.4766800357847605
  0.3678160512956712  0.2433159921533609  0.4898320857158569
  0.6328322184373355  0.5059509117939356  0.4886780295935279
  0.5125357070559466  0.3771738561666884  0.5785354415073716
  0.4599223171790935  0.4243033803717582  0.6090558895431273
 
  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
