 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
  0.0849448643571022  0.1722597390542544  0.4716806976233853
  0.1672753803823821  0.0872329074825245  0.4723201334342467
  0.0795046271530485  0.4153482105796142  0.4694770343944761
  0.0867731291568759  0.6705179747904012  0.4691675803871279
  0.1641388901280815  0.5846261279494039  0.4694931451903069
  0.0857609511638642  0.9197091165462082  0.4712244824471924
  0.1702912659637462  0.8375608729731600  0.4705161234963553
  0.3361230685022242  0.1691749519152030  0.4739668157530343
  0.4230270258385319  0.0871969276430374  0.4723617134508797
  0.3369914276617029  0.9196998727897610  0.4712667286459901
  0.4126431576721610  0.8276932683692092  0.4717246893058110
  0.5904181114717271  0.1722890929725156  0.4717574287507873
  0.6660506234309510  0.0802678398433972  0.4712525064938669
  0.5800225641705516  0.9127666066716452  0.4723465634032412
  0.6669356869596262  0.8308088547921483  0.4739588883073075
  0.8327454677103332  0.1624159121258258  0.4705056342973727
  0.9172773843247103  0.0802648253172006  0.4712092080259102
  0.8388823128284780  0.4153666083890079  0.4695168609576121
  0.9162371728558292  0.3294505066360349  0.4691516390581394
  0.9235036245793792  0.5846122709442882  0.4695175809844461
  0.8357872977412937  0.9127454380251230  0.4723096589324514
  0.9181129949445894  0.8277204033145208  0.4717173563645780
  0.3238034318215823  0.6652491274904421  0.4717718766893788
  0.1585589887250958  0.3347248132819836  0.4717431460716918
  0.5903384568609964  0.6775865797333046  0.4771941530137082
  0.4127169541707571  0.3223849125904907  0.4772209798293294
  0.6792290307556549  0.3347160284550457  0.4718473474686614
  0.8444982099502205  0.6652437534086528  0.4718070949982326
  0.3820754437324053  0.4999781924118525  0.4758564121790274
  0.6209806349663961  0.4999926751378754  0.4758609289910792
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
