 C  N Ir Ru  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   Ru   O    H 
    22     6     1     1     1     1
Direct
  0.0788037433890259  0.1691486613443336  0.4584187005589002
  0.0851923843013749  0.4252402449171934  0.4611397912027471
  0.1632704076861227  0.3407721936139086  0.4555191866307566
  0.0920340970477695  0.6816132362035087  0.4657100887244284
  0.1684652157401905  0.5930095838142562  0.4617060956507779
  0.0876933384943023  0.9296539350031723  0.4631272882239060
  0.1786212471243755  0.8530072857153819  0.4652544816982458
  0.3321834416589835  0.6758439138889373  0.4620680951312989
  0.4075299852681643  0.5869241418917482  0.4608451393971407
  0.3477271867442779  0.9365410742788829  0.4687447729433477
  0.4210998784321017  0.8436384971312106  0.4681607772075490
  0.6015363748788480  0.1748392885147753  0.4818780405790375
  0.6760880759788382  0.0861347841505810  0.4749105355905652
  0.5863710100547558  0.9184356936324214  0.4697661159713892
  0.6598292607972119  0.8258080466656527  0.4701562417618494
  0.8395254501873357  0.1689617748997629  0.4713438395929391
  0.9150863967087755  0.0799504540521451  0.4660312911623742
  0.8442082075884157  0.4208920687992388  0.4793830538921000
  0.9221367037814596  0.3365897150131476  0.4697767502329118
  0.9276699295058287  0.5914380689531470  0.4722441390236963
  0.8283191185240953  0.9085008492979851  0.4688863727760574
  0.9175844726747161  0.8302957605379543  0.4681723651903661
  0.5665162991777355  0.6618461716724573  0.4740704402787536
  0.3246774542249094  0.4243410195372185  0.4510400361437584
  0.1617175001133631  0.0918882047232705  0.4558509700429660
  0.8429085732957318  0.6672717700413469  0.4737321193814806
  0.6852792225187434  0.3375987247912356  0.4942414947918196
  0.4423335527498606  0.1011019183066014  0.4716048400039307
  0.3903081694353405  0.2660969470795249  0.4519923234083421
  0.6211641169687055  0.5006963752186749  0.5064778080260576
  0.5764512541299855  0.4724716058561064  0.6257151278095255
  0.5731235918711889  0.3780561934521711  0.6474949357568607
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
