57
1-Cl
Rh      8.222309    3.089975    9.212313
Cl      9.866076    3.089975   10.971875
N       9.414495    4.532005    8.245184
C       9.682695    5.681846    8.895608
H       9.373126    5.780725    9.787848
C      10.383736    6.716370    8.320877
H      10.546155    7.519763    8.801829
C      10.846007    6.559399    7.033425
H      11.324936    7.260205    6.607400
C      10.606959    5.374085    6.367594
H      10.943181    5.245542    5.487411
C       9.868853    4.363045    6.988277
C       9.517499    3.089975    6.273815
H       9.975605    3.089975    5.396312
H       8.542983    3.089975    6.099654
C       6.270499    3.089975    8.290064
C       6.385442    4.248098    9.136218
C       6.626989    3.817479   10.467344
C       5.856816    3.089975    6.860604
H       6.177490    2.360741    6.443957
H       4.872582    3.089975    6.886058
C       6.233018    5.663306    8.691974
H       6.774416    6.245457    9.264026
H       5.291818    5.926572    8.754939
H       6.534257    5.747354    7.762222
C       6.770251    4.673278   11.688883
H       5.899850    4.758562   12.132323
H       7.092314    5.561955   11.428981
H       7.411600    4.260458   12.303805
N       9.414495    1.647945    8.245184
C       9.682695    0.498104    8.895608
H       9.373126    0.399225    9.787848
C      10.383736   -0.536420    8.320877
H      10.546155   -1.339813    8.801829
C      10.846007   -0.379449    7.033425
H      11.324936   -1.080255    6.607400
C      10.606959    0.805865    6.367594
H      10.943181    0.934408    5.487411
C       9.868853    1.816905    6.988277
C       6.385442    1.931852    9.136218
C       6.626989    2.362471   10.467344
H       6.177490    3.819209    6.443957
C       6.233018    0.516644    8.691974
H       6.774416   -0.065507    9.264026
H       5.291818    0.253378    8.754939
H       6.534257    0.432597    7.762222
C       6.770251    1.506672   11.688883
H       5.899850    1.421389   12.132323
H       7.092314    0.617995   11.428981
H       7.411600    1.919492   12.303805
P      13.568406    3.089975    4.188974
F      12.695089    3.089975    5.534301
F      14.469209    4.188770    4.812202
F      14.366482    3.089975    2.883034
F      12.609021    1.975112    3.618530
F      14.469209    1.991180    4.812202
F      12.609021    4.204838    3.618530

75
1-NCCH3
Rh      7.468212    3.943675    3.944956
N       5.923458    5.372705    3.877277
N       7.481980    3.943675    1.865576
C       6.093381    6.521261    3.178510
H       6.854005    6.608022    2.614882
C       5.200111    7.565546    3.259813
H       5.341153    8.359014    2.756613
C       4.100313    7.447236    4.079436
H       3.487449    8.166562    4.176121
C       3.903861    6.257823    4.760624
H       3.134842    6.147401    5.306673
C       4.822318    5.226158    4.650755
C       4.666163    3.943675    5.417640
H       5.329400    3.943675    6.152664
H       3.767856    3.943675    5.834044
C       9.641277    3.943675    4.043179
C       9.114046    2.785181    4.683715
C       8.320009    3.230028    5.805478
C      10.578204    3.943675    2.895048
H      10.291081    4.610945    2.238032
H      10.584920    3.057137    2.478645
H      11.479870    4.162943    3.209273
C       9.461616    1.356624    4.391464
H       9.700045    1.266708    3.444393
H       8.690918    0.785580    4.590327
H      10.222239    1.085299    4.947401
C       7.683470    2.336233    6.820668
H       7.031987    2.847333    7.344743
H       8.373572    1.978147    7.418355
H       7.228439    1.596400    6.365810
C       7.631419    3.943675    0.750405
C       7.854736    3.943675   -0.684484
H       8.726179    4.349085   -0.878952
H       7.147844    4.459508   -1.125059
H       7.842983    3.022433   -1.017387
N       5.923458    2.514645    3.877277
C       6.093381    1.366089    3.178510
H       6.854005    1.279328    2.614882
C       5.200111    0.321804    3.259813
H       5.341153   -0.471664    2.756613
C       4.100313    0.440114    4.079436
H       3.487449   -0.279212    4.176121
C       3.903861    1.629527    4.760624
H       3.134842    1.739949    5.306673
C       4.822318    2.661192    4.650755
H       8.726179    3.538265   -0.878952
H       7.147844    3.427842   -1.125059
H       7.842983    4.864917   -1.017387
C       9.114046    5.102169    4.683715
C       8.320009    4.657322    5.805478
H      10.291081    3.276405    2.238032
H      10.584920    4.830213    2.478645
H      11.479870    3.724407    3.209273
C       9.461616    6.530726    4.391464
H       9.700045    6.620642    3.444393
H       8.690918    7.101770    4.590327
H      10.222239    6.802051    4.947401
C       7.683470    5.551117    6.820668
H       7.031987    5.040017    7.344743
H       8.373572    5.909203    7.418355
H       7.228439    6.290950    6.365810
P      12.150159    3.943675    7.260473
F      11.303567    5.040017    6.533909
F      12.977609    5.014777    8.030325
F      11.303567    2.847333    6.533909
F      12.977609    2.872573    8.030325
P       8.395400    0.000000    0.000000
F       7.807386   -1.155970   -0.922900
F       7.044748    0.825017   -0.092290
F       8.966287    0.748983   -1.273382
F       8.983414    1.155970    0.922900
F       9.746052   -0.825017    0.092290
F       7.824513   -0.748983    1.273382
F      13.103540    4.470550    6.125197
F      11.186031    4.342775    8.424755

