126
Complex 3-Cl
Rh      0.090585    7.690961    9.915341
Cl     -2.117087    7.928151   10.861121
N      -0.708246    5.993861    8.899560
N       0.415485    6.352296   11.540337
C       0.361749    6.949337   12.748368
H       0.303490    7.897223   12.777789
C       0.387325    6.264325   13.940674
H       0.387418    6.725316   14.771307
C       0.413937    4.887741   13.887920
H       0.403192    4.377066   14.690146
C       0.456752    4.259229   12.663910
H       0.467336    3.310340   12.620540
C       0.485304    5.004445   11.485553
C       0.673126    4.329126   10.122809
C       2.020404    4.811251    9.539718
H       2.182270    4.367150    8.681694
H       2.743629    4.591608   10.162882
H       1.988408    5.781166    9.404534
C       0.779835    2.801449   10.283102
H      -0.054136    2.452921   10.662530
H       1.525581    2.586681   10.880650
H       0.936218    2.391079    9.407070
C      -0.453330    4.691778    9.151413
C      -1.206453    3.707143    8.505422
H      -1.029403    2.791224    8.681694
C      -2.205777    4.051370    7.613412
H      -2.723437    3.379307    7.185287
C      -2.439405    5.380216    7.355472
H      -3.106580    5.644703    6.733829
C      -1.683721    6.322708    8.020738
H      -1.855213    7.242346    7.854866
C       1.933659    8.427943    8.988076
C       1.767217    9.036662   10.269152
C       0.544657    9.764832   10.269152
C      -0.050252    9.626158    8.963982
C       0.810918    8.812698    8.177988
C       3.184658    7.784993    8.468139
H       3.668932    7.365548    9.209240
H       3.752060    8.465267    8.050159
H       2.949511    7.102860    7.804140
C       2.759259    8.950856   11.387906
H       2.331384    9.228887   12.224880
H       3.517919    9.541352   11.197685
H       3.076684    8.027172   11.474140
C       0.017745   10.634518   11.363812
H      -0.961957   10.606474   11.360007
H       0.318106   11.556682   11.220512
H       0.352074   10.312014   12.227416
C      -1.290340   10.307000    8.503900
H      -1.699302    9.788075    7.781313
H      -1.067860   11.203327    8.176973
H      -1.919774   10.378451    9.249821
C       0.653962    8.476771    6.734843
H       0.903312    7.540254    6.589261
H       1.233604    9.057315    6.198673
H      -0.279741    8.610678    6.467519
Rh      1.353309    3.024082    2.735634
Cl     -0.816917    3.287334    1.720106
N       0.458155    1.434218    3.833844
N       1.701368    1.569303    1.230350
C      -0.510191    1.847164    4.669042
H      -0.612523    2.781637    4.811327
C      -1.363486    0.984379    5.330758
H      -2.015745    1.313364    5.937436
C      -1.243373   -0.361502    5.085246
H      -1.840481   -0.981135    5.488514
C      -0.241592   -0.800212    4.244722
H      -0.143365   -1.729958    4.078342
C       0.629531    0.107040    3.636775
C       1.811318   -0.370196    2.790671
C       3.114788    0.081875    3.482569
H       3.141626    1.060662    3.522896
H       3.885741   -0.244727    2.972523
H       3.145427   -0.283084    4.392841
C       1.860871   -1.909033    2.726250
H       1.912306   -2.272610    3.634492
H       2.648947   -2.189508    2.216711
H       1.051836   -2.243571    2.285190
C       1.767767    0.227779    1.374665
C       1.839787   -0.583230    0.249063
H       1.847452   -1.528482    0.350007
C       1.901030   -0.031893   -1.017049
H       1.967659   -0.590382   -1.783006
C       1.865038    1.333806   -1.155530
H       1.929281    1.741973   -2.011272
C       1.732574    2.092214   -0.012681
H       1.657972    3.035339   -0.103988
C       3.227294    3.758304    3.590868
C       2.128259    4.198511    4.404000
C       1.265026    4.997806    3.616738
C       1.839196    5.082652    2.290009
C       3.040854    4.329618    2.290009
C       4.470720    3.104009    4.082146
H       4.250574    2.491304    4.813863
H       5.093965    3.788692    4.405522
H       4.887401    2.602554    3.350429
C       1.993096    3.911935    5.856275
H       1.062068    4.049706    6.130194
H       2.575461    4.514686    6.363532
H       2.252193    2.983116    6.031279
C       0.041684    5.726298    4.061095
H      -0.665875    5.615208    3.393545
H       0.248174    6.679024    4.162039
H      -0.260819    5.363960    4.920387
C       1.288490    5.912906    1.174299
H       1.596875    5.553980    0.317035
H       1.598896    6.837663    1.270677
H       0.308798    5.893352    1.204734
C       4.015825    4.209181    1.173538
H       4.328867    3.282059    1.113428
H       4.779203    4.801557    1.339157
H       3.582638    4.463195    0.332253
P       2.950779    4.122365   -4.090262
F       2.531756    5.652525   -4.150118
F       4.299851    4.486264   -4.791290
F       3.330986    2.588311   -3.996673
F       1.567807    3.774638   -3.399632
F       3.627640    4.366806   -2.687444
F       2.261014    3.871327   -5.500689
P       3.864382    0.573590    8.348680
F       4.009124    0.939742    6.815244
F       4.185235   -0.921572    8.098095
F       3.713112    0.293939    9.893529
F       3.568706    2.102809    8.645678
F       5.418912    0.890296    8.542452
F       2.326245    0.283398    8.162263

64
Complex 4
Rh      2.654751   -0.646296    2.920258
N       3.401757    0.051961    4.749437
N       4.609608   -1.302427    2.525380
C       2.611730   -0.058891    5.849508
H       1.819356   -0.420826    5.605579
C       3.024536    0.217673    7.122721
H       2.448853    0.089708    7.901379
C       4.324167    0.614342    7.305428
H       4.652549    0.719295    8.150091
C       5.154322    0.766271    6.199617
H       6.102058    1.041366    6.265622
C       4.659736    0.501447    4.924492
C       5.528144    0.694459    3.670411
C       4.837397    1.682330    2.706175
H       3.773056    1.448288    2.257537
H       5.446079    2.013023    2.066220
H       4.782926    2.433971    3.080199
C       6.885358    1.313898    4.029130
H       7.373453    1.471839    3.194989
H       6.727723    2.205332    4.515074
H       7.376062    0.898406    4.562903
C       5.713904   -0.662438    2.974975
C       6.970875   -1.234776    2.786528
H       7.736200   -0.824734    3.214120
C       7.102000   -2.433814    2.115963
H       7.942665   -2.743910    2.085352
C       5.974727   -3.055709    1.624279
H       6.038779   -3.933557    1.176598
C       4.766120   -2.459767    1.846206
H       3.863217   -2.895330    1.540099
C       0.533102   -1.271829    3.035239
C       0.643050    0.158978    2.822878
C       1.247542    0.374966    1.558274
C       1.629016   -0.895546    1.030240
C       1.130303   -1.908293    1.921776
C      -0.134429   -1.967256    4.178357
H      -0.968220   -2.378168    3.868424
H      -0.334471   -1.318148    4.885272
H       0.460874   -2.661109    4.531336
C       0.103178    1.230868    3.732589
H      -0.685896    1.641928    3.320301
H       0.790850    1.915077    3.875120
H      -0.146420    0.835359    4.592557
C       1.459991    1.704838    0.886753
H       1.095805    1.673903   -0.022001
H       2.419296    1.900969    0.848490
H       1.003078    2.404396    1.398525
C       2.269558   -1.121020   -0.300367
H       1.611997   -0.966961   -1.010152
H       2.597820   -2.042406   -0.353936
H       3.020375   -0.499871   -0.411331
C       1.168413   -3.391231    1.707502
H       0.260316   -3.721379    1.545839
H       1.537066   -3.826965    2.504336
H       1.733535   -3.595474    0.933625
P      -1.738220    0.351449    7.872491
F      -1.423163   -0.917708    8.788132
F      -3.211669    0.401236    8.479156
F      -2.253458   -0.626193    6.721912
F      -2.070276    1.596409    6.952449
F      -0.271076    0.278614    7.263338
F      -1.231608    1.322971    9.025365
C       3.017815   -2.876571    4.474897
C       3.901763   -3.099767    5.090937

55
Complex 5
Rh      2.795895    1.385699    2.795708
N       1.923152    3.155904    2.191567
N       0.744347    0.336692    4.752897
C       2.507654    4.032122    1.335741
H       3.328681    3.811168    1.051383
C       1.920947    5.235095    0.991535
H       2.394947    5.751824    0.242627
C       0.725761    5.582309    1.575457
H       0.390545    6.488339    1.439586
C       0.127752    4.699661    2.460236
H      -0.662811    4.921785    2.879171
C       0.737880    3.476814    2.738933
C       0.097254    2.390748    3.584407
C      -0.787553    1.544341    2.649485
H      -1.231661    0.806658    3.121798
H      -1.480579    2.104326    2.264517
H      -0.302043    1.110617    1.924839
C      -0.757160    2.981129    4.703725
H      -0.173158    3.565664    5.256914
H      -1.565904    3.483829    4.415808
H      -1.098995    2.326449    5.224564
C       1.218838    1.527974    4.181754
C       2.404806    2.182654    4.746265
H       2.453596    3.156489    4.674610
C       3.064630    1.511608    5.821587
H       3.833390    1.917275    6.243596
C       2.617415    0.317987    6.275299
H       3.056583   -0.140288    6.987652
C       1.426496   -0.219785    5.704318
H       1.069325   -1.098926    6.000969
C       2.905928   -0.509715    1.592602
C       3.461811    0.562323    0.846282
C       4.662929    1.035796    1.523373
C       4.797043    0.295775    2.721140
C       3.673274   -0.624283    2.793605
C       1.749569   -1.385348    1.206664
H       1.271272   -1.578244    1.973365
H       1.976812   -2.174470    0.760231
H       1.182979   -1.087235    0.630830
C       2.996176    1.036965   -0.493665
H       3.372308    0.607916   -1.196959
H       3.073594    1.964038   -0.679355
H       2.008803    0.830040   -0.630830
C       5.633791    2.030675    0.973742
H       5.187674    2.875912    0.501429
H       6.191233    1.625007    0.436728
H       6.048046    2.501810    1.568987
C       5.902011    0.406836    3.715425
H       6.449942   -0.280577    3.590877
H       6.490324    1.250905    3.558526
H       5.515964    0.327340    4.626084
C       3.509314   -1.708011    3.814093
H       3.973366   -2.536882    3.461476
H       4.022551   -1.473028    4.561384
H       2.563393   -1.870512    3.995255

