 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 
    22     6     1     1     1     1
Direct
  0.0787490328121459  0.1685338405045108  0.4650866599949438
  0.0831951199340573  0.4232045907974238  0.4626751313134584
  0.1632509535266195  0.3398158440904806  0.4628930565138979
  0.0916496481183483  0.6796117620529180  0.4641290120278511
  0.1683581722828130  0.5910034838839506  0.4622294517531838
  0.0914747831638299  0.9311882104524275  0.4674680851488334
  0.1789990526209413  0.8505664603614425  0.4664158994527954
  0.3324151029331394  0.6711224437140886  0.4632115979499380
  0.4099190308627543  0.5829313894205289  0.4644245866932030
  0.3474124956620968  0.9304749413917730  0.4673483030919152
  0.4213480104286045  0.8383500184337751  0.4659664385497521
  0.5994488871508644  0.1701615595912470  0.4700323848176728
  0.6748786222980464  0.0820868068909829  0.4681917772710685
  0.5864326128346492  0.9137070796525562  0.4673561288654143
  0.6599692634400400  0.8204602484187281  0.4692352183954278
  0.8380044581455027  0.1674334617200399  0.4667005634473946
  0.9144013480609039  0.0785886874124615  0.4672453571084266
  0.8366383128301668  0.4190841990577153  0.4669836274196716
  0.9184700743124440  0.3357625922860549  0.4647343096587252
  0.9255038997048863  0.5925844663053829  0.4671968144561566
  0.8291542246573178  0.9075659617719171  0.4701066287579830
  0.9216439429165608  0.8323623132048968  0.4707537799729882
  0.5688552338751317  0.6566942334344071  0.4702562555321197
  0.3248253314628221  0.4197745088816173  0.4627047737809941
  0.1645188344714545  0.0943859753029264  0.4655424813010086
  0.8470591805937477  0.6721714066034263  0.4740399126428292
  0.6753140784684553  0.3335919120003952  0.4714134793355823
  0.4399989629736477  0.0928462586577933  0.4694136994449887
  0.3886934517020688  0.2573854179622867  0.4664640948606062
  0.6298630397686649  0.5050515148149397  0.5138683138058675
  0.6278997543874538  0.4996256154405276  0.6290834102496201
  0.5271107446523541  0.4204809984843302  0.6522920251715602
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
