 C  N Rh Fe  O  H                       
   1.00000000000000     
     9.8736660799999996    0.0000000000000000    0.0000000000000000
    -4.9368330399999980    8.5508456537647159    0.0000000000000000
     0.0000000000000006    0.0000000000000011   15.6500000000000004
   C    N    Rh   Fe   O    H 
    20     8     1     1     1     1
Direct
  0.0780958368851952  0.1580418612312990  0.4671931614690763
  0.1631745667074954  0.0734759262799666  0.4649776294567123
  0.0769011541498012  0.4088117699644436  0.4702219758272395
  0.1603289854485620  0.3199650442528664  0.4701638834571663
  0.0913144583266275  0.6582774080883598  0.4667586748893997
  0.0902019246239791  0.9097331599782823  0.4636888539869987
  0.1753818509112247  0.8245903470011201  0.4648414059826478
  0.3256989982518160  0.1561334453980524  0.4682106920263294
  0.4149079900826116  0.0738937569184192  0.4690018721046708
  0.3416840102867071  0.9086722681957171  0.4670334761240741
  0.6638273612683729  0.0879432179353455  0.4729440863697200
  0.5911119202553449  0.9230042503869026  0.4708594597053969
  0.6799506001109509  0.8395331068620958  0.4708058072730872
  0.8293681202380221  0.1705557372499860  0.4721286240086109
  0.9145923593451479  0.0852998432863111  0.4682945772934881
  0.9119756950222637  0.3361146898228394  0.4724930746168323
  0.8438706311983970  0.6742347095508939  0.4684238930273917
  0.9260935614256435  0.5850449716613569  0.4687580956017031
  0.8418626456899739  0.9217990169669246  0.4675425131831580
  0.9264456426607673  0.8367377630710290  0.4651645441533873
  0.4321071121283189  0.8365356613703431  0.4701380420191626
  0.1634225755600539  0.5678197447565106  0.4695759046125962
  0.6036148150412572  0.6786628651338616  0.4744133616653132
  0.3212108991748725  0.3963202412286012  0.4737283511837219
  0.6834161035452855  0.5967728819052360  0.4749705414295036
  0.4030616308786975  0.3165904816605722  0.4743413980843427
  0.8383980298927907  0.4260738279471619  0.4744931656344343
  0.5738608656223669  0.1615462389529879  0.4750051032153089
  0.3824706057366316  0.6174093398089987  0.4738279344556592
  0.6217092715653513  0.3783633397347820  0.5039207214652364
  0.6206321381870512  0.3795159636194336  0.6222470988892022
  0.5732320743396858  0.4346492429148783  0.6495828755104229
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
