Ni  H  C  O                             
   1.00000000000000     
     6.6588201380000003   -0.0005465320000000   -1.0058829300000001
    -3.3355161970000000   12.9369473389999996   -7.0489537420000001
     0.0103486130000000    0.0011297690000000   15.1056300520000004
   Ni   H    C    O 
     6     6    24    18
Direct
  0.1268886526163229  0.3027498964107025  0.7168562388722108
  0.8242434012754671  0.4140839900981774  0.6972235664952322
  0.4100568671126723  0.2831550649105168  0.5859124132431219
  0.8242657531734210  0.6972241930238781  0.4140837498202288
  0.4100765865690903  0.5859082536447886  0.2831526524015686
  0.1269164489428150  0.7168536044631466  0.3027461265390201
  0.7347574551216240  0.4805645780714798  0.4805663476251709
  0.2540829820568078  0.0000805433698758  0.5194682680517531
  0.2540742665954525  0.5194624828507628  0.0000659343593554
  0.0962571309826359  0.5766322575425775  0.5766292094089494
  0.5193584705956482  0.9999666312527253  0.4232694912663106
  0.5193632567994015  0.4232732779725907  0.9999756606734351
  0.5062726175928702  0.4657924513654166  0.5614244753655839
  0.0402940167153716  0.0956700562309294  0.5342176947722237
  0.9447651228577527  0.4386339674904107  0.9044378559133932
  0.0403068892888143  0.5342190677294809  0.0956676089273856
  0.9447818297889157  0.9044421757272403  0.4386338703758170
  0.5062814888577876  0.5614176416929055  0.4657883762168140
  0.5968406525509025  0.5037383944709362  0.5037406873352168
  0.0929882261867618  0.0000773072619396  0.4962970878353374
  0.0929836580651155  0.4962956538232248  0.0000712171930957
  0.3206358525643438  0.4945849410430014  0.5894132499665972
  0.8258427814434128  0.0948361664571635  0.5052875570808908
  0.7311094667079274  0.4105973952345323  0.9052249082656658
  0.8258565170741861  0.5052895431937685  0.0948386518478017
  0.7311250651095591  0.9052240373406732  0.4105991320255171
  0.3206467121343621  0.5894131190496950  0.4945804206569093
  0.1984211693412519  0.4563134034268970  0.6425856125422982
  0.7418828253601220  0.1862890239474240  0.5436244601694327
  0.5558311971690060  0.3573991877384231  0.8137139207485617
  0.7419087318913782  0.5436294067770007  0.1862942399954264
  0.5558550102862938  0.8137112824081072  0.3574030501776662
  0.1984340366198225  0.6425838113463769  0.4563076778643165
  0.2377937149019758  0.5563044573747504  0.5563016568164656
  0.6812370363394606  0.0000047250976394  0.4436212187154069
  0.6812393051099548  0.4436195155188898  0.0000073106646923
  0.5890182422393409  0.4003435983954873  0.5823025501778503
  0.1885596284651569  0.1819869481265570  0.5996708816096543
  0.0066633538430452  0.4177213698877011  0.8181115997630499
  0.1885765364495953  0.5996644542326734  0.1819820098968350
  0.0066864071488197  0.8181181733570497  0.4177212655530340
  0.5890303477344361  0.5823027202155089  0.4003448045437352
  0.2479558422847035  0.3828147368768029  0.6562617968944622
  0.8649721303411724  0.2733972215029610  0.6171861111590786
  0.5918194251780946  0.3437273470787900  0.7265734159426671
  0.8649922925498430  0.6171930410141258  0.2733978101829351
  0.5918384615254908  0.7265721094765993  0.3437343148097582
  0.2479608212045079  0.6562516500302351  0.3828047596576170
  0.0453195516855800  0.4919566005140581  0.6710528093589119
  0.5531716326295282  0.1791557473875045  0.5079415060581596
  0.3741980679141435  0.3289212699118735  0.8208436339721459
  0.5532026861795600  0.5079397601038309  0.1791650531779254
  0.3742157777612576  0.8208352898874196  0.3289182400271002
  0.0453372648685857  0.6710546743551191  0.4919541464423958
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
