 C  N Ir                                
   1.00000000000000     
     9.8736660799999996    0.0000000000000000    0.0000000000000000
    -4.9368330399999980    8.5508456537647159    0.0000000000000000
     0.0000000000000006    0.0000000000000011   15.6500000000000004
   C    N    Ir
    22     6     2
Direct
  0.0750950387365620  0.1640843561428271  0.4755865653107121
  0.0816525590634329  0.4198292165347277  0.4734160127091617
  0.1594415043929847  0.3352313750020066  0.4805630854073091
  0.0893788844115141  0.6768612402817467  0.4699461308711793
  0.1650244857534596  0.5876676177808483  0.4747112365561255
  0.0853611079581519  0.9253308016437241  0.4717012705078860
  0.1758845728493199  0.8479732508865702  0.4716933287339271
  0.3285153226086512  0.6707149880065386  0.4760395790620873
  0.4031889542060639  0.5812803036656323  0.4789665924546281
  0.3446127332489669  0.9311721797556175  0.4708328582474108
  0.4178139401410372  0.8381279395124971  0.4701818649911282
  0.5974046924776232  0.1696201186517842  0.4585468501396245
  0.6720766749638807  0.0801837546574272  0.4616096492959054
  0.5828026729355511  0.9128188250950734  0.4673879202449615
  0.6559917545174917  0.8197734200107123  0.4668011979729861
  0.8355767210830386  0.1632716176575110  0.4630821033283572
  0.9112272608992393  0.0740794872848457  0.4677466304325787
  0.8412173819618928  0.4158214142278133  0.4570085293473258
  0.9188952709004099  0.3311360702347753  0.4643516061537097
  0.9255051584660845  0.5869314925392433  0.4620177275046448
  0.8247168004107492  0.9029412191302724  0.4659221012761672
  0.9152793793927300  0.8256391664273843  0.4657793088980713
  0.5617081199316207  0.6554736555881647  0.4654980156617638
  0.3195219693270854  0.4187790498911192  0.4903360659101584
  0.1582263553995012  0.0871427262920030  0.4787293349373574
  0.8424065766567944  0.6638676342037012  0.4587629269145060
  0.6811279205694856  0.3321646524496720  0.4471550866526240
  0.4388784390337502  0.0954368763577036  0.4719777627187989
  0.3843355621895098  0.2576139235322284  0.4941202385495950
  0.6163139446790592  0.4933302007817615  0.4434261827875275
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
