 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
    20     8     2
Direct
  0.0754871449339021  0.1595876519445270  0.4680469864801893
  0.1604278616707262  0.0746534879970753  0.4680264051977545
  0.0743001688163147  0.4097520484166850  0.4697235748126332
  0.1566536613793730  0.3204966604384722  0.4696957587232475
  0.0904704725718872  0.6609676368486817  0.4692732827841155
  0.0887733622210476  0.9116356681262374  0.4675343700103411
  0.1738004510737809  0.8266140497426022  0.4684403582327477
  0.3213272106176674  0.1558139914736643  0.4696903436797299
  0.4105882228217794  0.0734635523283131  0.4697140389241952
  0.3394479981127105  0.9099467673755086  0.4692870472121911
  0.6617944816204400  0.0896294887747970  0.4693918045520178
  0.5906598176731137  0.9261132862457941  0.4697481800577137
  0.6799098071692811  0.8437569461721139  0.4697186067463264
  0.8274459259954696  0.1729669545291372  0.4685741089330833
  0.9124677599710012  0.0879395315340972  0.4676145349902683
  0.9107865049415977  0.3386206209865534  0.4693773824717269
  0.8445973129800919  0.6790836710910710  0.4696899826725200
  0.9269534284925882  0.5898276631669503  0.4697018457707927
  0.8408173056373869  0.9249201147206918  0.4680560431534744
  0.9257547065883216  0.8399804795696113  0.4680277912407576
  0.4314632722703919  0.8385947188520575  0.4703498200771818
  0.1618185692598928  0.5689473685136832  0.4703253208450988
  0.6027273850899419  0.6826516952240951  0.4713148417105728
  0.3177566786133497  0.3976779675139568  0.4712951479123930
  0.6834945693961032  0.6018982730678388  0.4713305430457595
  0.3985126731663158  0.3169147047086724  0.4713251425014562
  0.8394374818630084  0.4306422830128227  0.4704066176818813
  0.5697733735385526  0.1609812016537049  0.4704218872150605
  0.3812375901481246  0.6191689704006862  0.4716364428709667
  0.6200035126208121  0.3804106852417704  0.4717186585033417
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
