 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 
    21     7     1     1     1     1
Direct
  0.0871854691180722  0.1688951124257267  0.4607568064760799
  0.1662455218057539  0.0808130442860441  0.4659208903736772
  0.0816694106654902  0.4141089063519370  0.4647912141847486
  0.1701810000124600  0.3317104619650337  0.4651850859581555
  0.0771785233375701  0.6534689894726800  0.4751075131663586
  0.0783954436273485  0.9121430380259538  0.4716810284524407
  0.1630861728133949  0.8254384538967435  0.4753026948048276
  0.3325679553379402  0.1655793607845354  0.4662808931624947
  0.4159830712872132  0.0826601040565824  0.4664559889099647
  0.4175435869875889  0.3354082055742292  0.4694331486216037
  0.3357805792655758  0.9149182494570521  0.4731082996542547
  0.5828987997012510  0.1711344218482157  0.4611845965635495
  0.6709300101606802  0.0938612492107263  0.4579658128915118
  0.6619287969340744  0.3353659019580367  0.4637127207160737
  0.5905007096838329  0.9336913631574922  0.4687305239808556
  0.6794764418457596  0.8552424562611814  0.4747093117303485
  0.8361689864691011  0.1717326642003284  0.4535638569485620
  0.9228045820534401  0.0929309238537724  0.4564552299942008
  0.8330293583072670  0.4169780939722260  0.4639906787230956
  0.9169492419244882  0.3341061259815918  0.4576314340709570
  0.8441583537568074  0.9321366933591596  0.4661037234008774
  0.3322348604812574  0.4122041213811495  0.4736409920113705
  0.5805583462089998  0.4158709429305659  0.4709517647536705
  0.1585157464633473  0.5731267595539296  0.4737558633857989
  0.9158089529858137  0.5745669892396659  0.4741378916660357
  0.4305152126726602  0.8482213097656418  0.4785303702942849
  0.6051959999279435  0.7014710961311015  0.4919749017569620
  0.9157164776898251  0.8435969823596359  0.4744576362609029
  0.3845377004393008  0.6313614336374376  0.4854370817912734
  0.7457778224484898  0.6319702322407651  0.5089224423111405
  0.7582415901981761  0.6129554744629694  0.6247026497191308
  0.6885419123491991  0.6352257525392435  0.6584415492442621
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
