 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 
    21     7     1     1     1     1
Direct
  0.0870630207663194  0.1671354193820728  0.4628921682983727
  0.1670317327965049  0.0798530287698046  0.4669796224653198
  0.0810791195475505  0.4120169177914566  0.4676851209329220
  0.1690582148310304  0.3294424957811669  0.4672441424844427
  0.0771136247129697  0.6532345921001005  0.4766145838268059
  0.0793291260133048  0.9111043274145721  0.4707296722719176
  0.1639702512321071  0.8245507941650697  0.4755183851545973
  0.3336781519970412  0.1657242760555238  0.4678905605311627
  0.4170016141797526  0.0826239482805806  0.4686415854760386
  0.4188919248084141  0.3357009066154069  0.4699304708600989
  0.3368112910364798  0.9149456947260360  0.4744613639621768
  0.5838281398332101  0.1715963330923737  0.4648784554308308
  0.6720276403313834  0.0942861903616362  0.4626142822802001
  0.6632335770665296  0.3359992408706526  0.4660449776021414
  0.5924613497725845  0.9344785035586791  0.4712762794614261
  0.6807264788865950  0.8544712397416016  0.4749047216802328
  0.8370048570964312  0.1711722353258991  0.4585417220274799
  0.9231016004993732  0.0915290082971325  0.4598250665737265
  0.8330105929898337  0.4164359256711201  0.4675625167575868
  0.9169485578287316  0.3331650540354217  0.4620047478179853
  0.8445426939396208  0.9301974251751328  0.4665929439775944
  0.3316975766376776  0.4109223236619219  0.4745162979373470
  0.5826035683108390  0.4178983494222487  0.4690982892732526
  0.1584223698576864  0.5715065629313688  0.4752282816280043
  0.9155116424246769  0.5744340432123992  0.4768973564093766
  0.4323481631865690  0.8485723330592085  0.4794860902399318
  0.6035546205655556  0.6994968497326270  0.4879258512303561
  0.9162248979507945  0.8412775195519574  0.4702336343743476
  0.3847051389705763  0.6302287625097673  0.4846466384596289
  0.7488339725747434  0.6324236869814701  0.4971408696812840
  0.7498364988737400  0.6180312007653561  0.6146622162620510
  0.6786546274414919  0.6484397253015918  0.6403556806108291
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
