 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
    21     7     2
Direct
  0.0867303838687974  0.1681399376073855  0.4634906044972666
  0.1661984208776985  0.0806684336655081  0.4671556349659554
  0.0795982978358936  0.4111442986112053  0.4679108753842272
  0.1689269189080775  0.3298871034166737  0.4681833240536619
  0.0755825947003288  0.6519488928571278  0.4750719008791435
  0.0792413301965027  0.9133916157726318  0.4710598706710272
  0.1612793303754358  0.8233205008903823  0.4735934515595659
  0.3319929265508250  0.1647540735342901  0.4682248845702546
  0.4137202837299370  0.0807061218386877  0.4672215779172859
  0.4163309179814689  0.3334556144492780  0.4723200588801362
  0.3334012253684548  0.9134256776019072  0.4710996016284952
  0.5806428416513540  0.1681634871027597  0.4635771308577219
  0.6701104269417044  0.0933138070101975  0.4591383496831440
  0.6601831054187670  0.3299111240558190  0.4682252891342600
  0.5900623503422864  0.9340171288358690  0.4667804712156851
  0.6783207853426276  0.8574154177790803  0.4705988671362604
  0.8347310718460079  0.1702575691260719  0.4563894765382912
  0.9223956388793297  0.0932928853474593  0.4590559076615719
  0.8307479376497611  0.4111506298619361  0.4679396873016302
  0.9152684014152115  0.3313280485066699  0.4615013841793214
  0.8431708683618382  0.9339817592785238  0.4667318701984229
  0.3313603800394702  0.4115154994094326  0.4753992911261662
  0.5793574630555867  0.4115079446613734  0.4754176526712826
  0.1554639581308734  0.5697720507391892  0.4752453593124528
  0.9135130436616166  0.5697531329845020  0.4752854940954663
  0.4290462655911114  0.8477955899142131  0.4740867044932315
  0.5996098254268389  0.7000022605694411  0.4798667351566621
  0.9179729799962431  0.8477898423873569  0.4740554458012411
  0.3817526810366374  0.6317168836202356  0.4806006947936368
  0.7491796885595861  0.6317035437673653  0.4806190490038844
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
