 C  N Ir Ru  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   Ru   O    H 
    20     8     1     1     1     1
Direct
  0.0772517450237341  0.1564790613523149  0.4647985074573217
  0.1626603208015250  0.0719594233168941  0.4650026486281271
  0.0751019928338141  0.4064130839027904  0.4674365681567798
  0.1580774261800100  0.3176848827420819  0.4666300474385022
  0.0903366809384680  0.6571487110555497  0.4689598993339914
  0.0900067419068260  0.9083028629414576  0.4657248168865084
  0.1745470745835637  0.8231919382592555  0.4677869313607502
  0.3239593880614544  0.1533049943450338  0.4685542130652909
  0.4123980222404722  0.0706693944346180  0.4708611052383480
  0.3406358938869677  0.9069251214956231  0.4701632397987434
  0.6632695764570486  0.0860525134200513  0.4732701843674054
  0.5918343094295795  0.9228451938127129  0.4731373060394656
  0.6810338648046913  0.8410210405662896  0.4735840998921573
  0.8290368427777238  0.1692732986979762  0.4706063741760578
  0.9142012632682146  0.0845432554897871  0.4669747929679953
  0.9117363012690325  0.3346342001392006  0.4701774436845361
  0.8447286552844550  0.6750480069495132  0.4730389194643365
  0.9265479643193532  0.5858191042560377  0.4714129818874980
  0.8420004519446304  0.9214146193183343  0.4690050060792409
  0.9266362471319094  0.8363718961350525  0.4680698321867547
  0.4323008880666995  0.8352427942426643  0.4744855719571393
  0.1622925922932696  0.5656635503260388  0.4699223079396613
  0.6035334413074375  0.6802324803707084  0.4793038453637825
  0.3184843404745797  0.3948825077560337  0.4728334894192765
  0.6837812339557194  0.5991251694663363  0.4801437950194515
  0.4008310544400668  0.3147315337861014  0.4734795880113178
  0.8387007052776153  0.4255407963403839  0.4746721443713689
  0.5721448451708245  0.1578088277245810  0.4761232845831059
  0.3820424207728141  0.6161274459523619  0.4774098592889195
  0.6207047990755268  0.3762847449116700  0.4918735815023201
  0.6056729276897149  0.3761907869045173  0.6154484947550530
  0.6074344228935243  0.4711888827236091  0.6348599184007896
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
