 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 
    20     8     1     1     1     1
Direct
  0.0781597052245450  0.1576920493758980  0.4717989892796556
  0.1636837853511649  0.0736031088928752  0.4716039122076565
  0.0750605180052482  0.4073425762929362  0.4720727963332405
  0.1593031908016735  0.3190377478276930  0.4719824989228716
  0.0900682957623442  0.6577196259198330  0.4719923117745132
  0.0901237711948982  0.9095554564104571  0.4717951391284881
  0.1752043743508357  0.8244525883200363  0.4719841717666133
  0.3266925023744768  0.1571587255892134  0.4713943901736188
  0.4157835444288235  0.0752573342015231  0.4718619962761771
  0.3419280699051566  0.9095693529220356  0.4723204085826425
  0.6638336098662060  0.0890794370750666  0.4728532201709889
  0.5923177228465071  0.9245944813366326  0.4731189029978959
  0.6806334758216624  0.8403984871945922  0.4731248520319896
  0.8293279801554031  0.1703296841332392  0.4728033027327602
  0.9144740305236875  0.0851842608331740  0.4723562216078758
  0.9105673671744744  0.3358072938210222  0.4722377175204836
  0.8425775934327775  0.6730391849359919  0.4718553863744203
  0.9243903806406258  0.5838921424728712  0.4716985906701504
  0.8419643702840934  0.9215032925128027  0.4724429044781730
  0.9260842888549917  0.8360332899778072  0.4719931363281035
  0.4327597014188622  0.8372129531497038  0.4730928633252343
  0.1624019946116227  0.5668950713302032  0.4722526140037550
  0.6030494971471152  0.6781291822116109  0.4733480264349497
  0.3215492203989247  0.3965562102017341  0.4723635906071646
  0.6823210420260102  0.5945030022504211  0.4717051072799508
  0.4052305931428568  0.3173868017587083  0.4708501972766350
  0.8351882377755475  0.4248023096081355  0.4711688625154381
  0.5748255778197896  0.1643543893631143  0.4716375863852094
  0.3824828938476363  0.6171664603908305  0.4735010850353750
  0.6224647520138759  0.3771567747787105  0.4842150908342656
  0.6214316630196588  0.3759723934710262  0.6046385813452496
  0.5780406843397733  0.4407364545756823  0.6236863443204491
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
