 C  N Ir 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    Ir   Co   O    H 
    22     6     1     1     1     1
Direct
  0.0853463009496463  0.1712910161769482  0.4744316842881804
  0.1688759586700777  0.0873129457192665  0.4761198765548867
  0.0780004424674068  0.4132244363677679  0.4700552613890846
  0.0835053976104209  0.6674877183558935  0.4698863485545413
  0.1623089691955537  0.5819063060156462  0.4701617141809766
  0.0856867047317722  0.9182578207700617  0.4739570863988541
  0.1687332428875398  0.8347397933311801  0.4728766699386167
  0.3396582580396967  0.1706970674746490  0.4802639674251787
  0.4222621810241057  0.0844295373718442  0.4770326015925926
  0.3360383285320009  0.9166592127876959  0.4747860113323051
  0.4116640990894804  0.8238474910045237  0.4748900729390416
  0.5894553921726238  0.1702198529947904  0.4743764037077866
  0.6649974777290966  0.0769290261232964  0.4745730341040680
  0.5791129452126309  0.9077340234429140  0.4768902429433547
  0.6665961229295342  0.8244650644124434  0.4813301486375469
  0.8315711604002705  0.1604272210263361  0.4732546486256947
  0.9169412096495021  0.0785398420740964  0.4748143662842507
  0.8333762274594572  0.4127580644159370  0.4693091124909789
  0.9136239013724192  0.3276275169222884  0.4700435176842420
  0.9182066029422875  0.5823596531408035  0.4690863861706728
  0.8353198648714478  0.9107147590992443  0.4771884951912930
  0.9167637655719587  0.8249349742542760  0.4739233335780132
  0.3227424551587727  0.6610119459291622  0.4731745244741394
  0.1592843989808876  0.3341128564832663  0.4727948562183977
  0.5917701065135893  0.6701916641708580  0.4888168271192121
  0.4187346734038020  0.3247467077830403  0.4866293981776503
  0.6741288339107813  0.3328677986257532  0.4712726067387806
  0.8387434692367800  0.6622647049577117  0.4707919061106914
  0.3877449619599591  0.4975023668691677  0.4802766648386222
  0.6230883445813177  0.4977618595472912  0.4902345646578513
  0.6679839644659641  0.4884732829060804  0.6115200835256810
  0.6707732620170926  0.5781616091176229  0.6396145809318627
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
