56
q01i
Rh      6.741388    8.514799    3.355937
Cl      7.448459    9.721719    1.404510
Cl      1.860146    5.146096    0.583450
Cl      8.987030    2.877198    0.799360
N       5.151759    7.621581    2.279960
N       7.633791    6.858659    2.436536
C       7.002454   10.202017    4.727484
C       5.720093    9.636512    4.911254
C       5.895975    8.252043    5.307637
C       7.297778    8.008774    5.378783
C       7.992117    9.199646    4.979103
C       7.276777   11.622147    4.367635
H       7.226808   12.179055    5.172241
H       6.611222   11.928807    3.716390
H       8.172645   11.693205    3.976223
C       4.424606   10.382876    4.848349
H       4.332413   10.945630    5.644769
H       3.681480    9.745626    4.809700
H       4.412097   10.947566    4.046407
C       4.799995    7.280241    5.653203
H       4.627264    7.312426    6.617378
H       5.074318    6.374656    5.400099
H       3.983944    7.522644    5.167214
C       7.930427    6.754219    5.848235
H       8.153967    6.835593    6.798484
H       8.748316    6.587854    5.333404
H       7.308305    6.007447    5.721409
C       9.477924    9.412347    4.982949
H       9.742179    9.859861    5.814063
H       9.730865    9.969332    4.217514
H       9.932551    8.545915    4.920566
C       3.898274    8.101751    2.221176
H       3.724453    8.975915    2.549188
C       2.854796    7.366849    1.701180
H       1.971463    7.715132    1.679314
C       3.135682    6.113568    1.214147
H       2.426485    5.581547    0.872401
C       4.397043    5.613020    1.211126
H       4.584908    4.757706    0.841992
C       5.405081    6.393773    1.766008
C       6.816072    5.988749    1.813804
C       7.309591    4.816982    1.239969
H       6.726294    4.204071    0.807738
C       8.664143    4.568618    1.314960
H       9.016562    3.761959    0.956897
C       9.500237    5.470370    1.898960
H      10.437266    5.315633    1.928654
C       8.955529    6.616664    2.447798
H       9.536056    7.255481    2.845940
P       6.135777    2.845356    4.442626
F       5.474646    3.607005    5.672980
F       7.115334    2.077339    5.435645
F       5.062505    1.671042    4.614585
F       6.772758    2.083708    3.216117
F       5.141258    3.592995    3.437246
F       7.204587    4.012029    4.271492

114
a11a-no33
Rh     -0.239330   18.487684    3.013943
Cl     -2.307141   17.861658    1.985660
O       2.270216   20.810443   -3.060365
O       3.042910   18.792023   -3.098520
N       0.515585   18.997019    1.122399
N       0.525158   16.651958    2.289312
N       2.430225   19.756179   -2.599323
C      -1.288279   19.393494    4.677192
C      -0.389766   20.326112    4.106453
C       0.929968   19.819255    4.228868
C       0.857485   18.564501    4.828223
C      -0.507380   18.305440    5.112797
C      -2.781698   19.535414    4.834582
H      -3.226223   18.744649    4.467068
H      -3.086359   20.334988    4.355798
H      -3.002114   19.622459    5.786268
C      -0.836971   21.716028    3.672438
H      -1.628059   21.640923    3.098059
H      -0.113702   22.152466    3.175769
H      -1.058427   22.250346    4.463761
C       2.138926   20.549129    3.844136
H       2.773110   19.933038    3.421234
H       2.550342   20.943262    4.642264
H       1.904657   21.260983    3.212859
C       2.037724   17.683695    5.179568
H       1.741898   16.751640    5.243113
H       2.411776   17.967017    6.040127
H       2.722632   17.762787    4.483633
C      -1.091345   17.104751    5.802770
H      -1.707380   16.647273    5.193765
H      -1.576405   17.393480    6.603393
H      -0.369991   16.493864    6.059093
C       0.521056   20.217983    0.627971
H       0.090768   20.911949    1.113925
C       1.152887   20.535613   -0.616842
H       1.169024   21.418469   -0.969126
C       1.717706   19.506129   -1.244813
C       1.760101   18.244617   -0.817157
H       2.168207   17.552295   -1.324208
C       1.156990   18.003578    0.441964
C       1.076301   16.690254    1.050858
C       1.568637   15.521103    0.510326
H       1.932651   15.555006   -0.366624
C       1.564534   14.327172    1.154195
H       1.931393   13.539245    0.768668
C       0.966893   14.340688    2.459421
H       0.922009   13.537939    2.966281
C       0.471822   15.478302    2.964977
H       0.069009   15.460731    3.824884
Rh      7.094835   18.609104   11.571200
Cl      9.082232   18.181542   12.770863
O       4.533594   12.313258   13.203289
O       4.098697   13.383291   15.069714
N       6.330620   16.746572   12.257358
N       6.206169   19.091633   13.421092
N       4.610180   13.288677   13.898032
C       8.242525   19.445306    9.872658
C       7.394613   20.441000   10.470423
C       6.033851   20.006229   10.322571
C       6.037954   18.690652    9.694600
C       7.437009   18.312198    9.452951
C       9.670300   19.528656    9.729576
H      10.032085   18.636137    9.548371
H      10.061351   19.878658   10.556526
H       9.889430   20.127244    8.985009
C       7.840451   21.770093   11.018904
H       8.701259   21.662932   11.476528
H       7.172898   22.102659   11.654569
H       7.939615   22.410513   10.284035
C       4.804379   20.801432   10.661199
H       4.621476   21.440996    9.941751
H       4.948661   21.284726   11.500470
H       4.040998   20.194262   10.760132
C       4.846774   17.899954    9.402077
H       4.397326   18.266942    8.611565
H       4.236756   17.931312   10.168043
H       5.105620   16.970963    9.227899
C       7.964902   17.131784    8.731182
H       7.293055   16.418556    8.738606
H       8.780662   16.817667    9.173019
H       8.168196   17.380301    7.805759
C       6.420882   15.613464   11.608720
H       6.864231   15.605219   10.768097
C       5.886150   14.397006   12.103147
H       5.928259   13.585808   11.608847
C       5.324067   14.464587   13.297087
C       5.218762   15.597695   14.080859
H       4.830732   15.592604   14.947300
C       5.735714   16.757835   13.483094
C       5.731612   18.068907   14.142861
C       5.158587   18.287419   15.379725
H       4.806731   17.548713   15.861848
C       5.083369   19.564700   15.940925
H       4.672392   19.724123   16.782787
C       5.661864   20.607700   15.166692
H       5.670576   21.499881   15.493046
C       6.196596   20.319354   13.969573
H       6.593555   21.028909   13.478404
S      -0.564819   20.742411    8.308295
F       1.754631   21.972836    8.476814
F       1.582313   20.206719    9.699370
F       1.813438   20.006229    7.588115
O      -0.899881   19.348440    8.392554
O      -0.748077   21.303784    7.004659
O      -1.036641   21.569603    9.383000
C       1.233575   20.767641    8.540406
S       7.493080   20.746015    6.259043
F       5.295347   20.373419    4.941098
F       5.071061   20.103095    7.060302
F       5.258422   22.060691    6.224067
O       7.733778   21.292520    7.562679
O       7.908831   21.580866    5.152542
O       7.776174   19.346188    6.073036
C       5.758964   20.814948    6.133448

110
a11a-No60
Rh     11.619371    9.608667    6.589917
Cl     10.498721   10.128364    4.562997
N       9.750243    9.116677    7.416495
N      10.907618   11.448221    7.356320
C       9.225609    7.868681    7.426068
H       9.711754    7.161829    7.019221
C       8.009412    7.593852    8.005930
H       7.660960    6.710974    8.011879
C       7.308311    8.634599    8.580322
H       6.469802    8.460984    8.993037
C       7.794789    9.896111    8.563911
H       7.300950   10.612650    8.945048
C       9.049142   10.121381    7.971740
C       9.693011   11.441463    7.925242
C       9.109554   12.590340    8.436724
H       8.236897   12.570607    8.812062
C       9.826554   13.750481    8.386123
N       9.289201   14.910621    9.072658
O       9.972815   15.825218    9.175228
O       8.144545   14.770954    9.573200
C      11.082496   13.793282    7.799423
H      11.582106   14.599343    7.755099
C      11.572154   12.612867    7.285205
H      12.420694   12.623162    6.858883
C      12.716810    7.785331    6.355237
C      13.300267    8.738223    5.500487
C      13.727923    9.853310    6.275916
C      13.471965    9.528921    7.655825
C      12.848764    8.235871    7.705058
C      12.235101    6.415690    5.924443
H      11.728956    6.002094    6.654632
H      13.006440    5.852785    5.702413
H      11.658528    6.504063    5.136733
C      13.464016    8.621083    4.022112
H      12.835457    7.955252    3.675151
H      14.381569    8.343415    3.816165
H      13.284941    9.489544    3.604310
C      14.444923   11.042735    5.728876
H      13.898079   11.462751    5.031565
H      15.301809   10.761598    5.346181
H      14.605095   11.688134    6.449424
C      13.789925   10.371431    8.842902
H      13.995804   11.283053    8.550659
H      14.563951    9.995140    9.311920
H      13.018554   10.387988    9.447805
C      12.481520    7.472206    8.923590
H      12.186517    8.095235    9.621107
H      13.259902    6.970597    9.241448
H      11.754250    6.850686    8.712624
N       6.147757    9.116677   13.097505
N       4.990382   11.448221   13.157680
C       6.672391    7.868681   13.087932
H       6.186246    7.161829   13.494779
C       7.888588    7.593852   12.508070
H       8.237040    6.710974   12.502121
C       8.589689    8.634599   11.933678
H       9.428198    8.460984   11.520963
C       8.103211    9.896111   11.950089
H       8.597050   10.612650   11.568952
C       6.848858   10.121381   12.542260
C       6.204989   11.441463   12.588758
C       6.788446   12.590340   12.077276
H       7.661103   12.570607   11.701938
C       6.071446   13.750481   12.127877
N       6.608799   14.910621   11.441342
O       5.925185   15.825218   11.338772
O       7.753455   14.770954   10.940800
C       4.815504   13.793282   12.714577
H       4.315894   14.599343   12.758901
C       4.325846   12.612867   13.228795
H       3.477306   12.623162   13.655117
Rh      4.278629    9.608667   13.924083
Cl      5.399279   10.128364   15.951003
C       3.181190    7.785331   14.158763
C       2.597733    8.738223   15.013513
C       2.170077    9.853310   14.238084
C       2.426035    9.528921   12.858175
C       3.049236    8.235871   12.808942
C       3.662899    6.415690   14.589557
H       4.169044    6.002094   13.859368
H       2.891560    5.852785   14.811587
H       4.239472    6.504063   15.377267
C       2.433984    8.621083   16.491888
H       3.062543    7.955252   16.838849
H       1.516431    8.343415   16.697835
H       2.613059    9.489544   16.909690
C       1.453077   11.042735   14.785124
H       1.999921   11.462751   15.482435
H       0.596191   10.761598   15.167819
H       1.292905   11.688134   14.064576
C       2.108075   10.371431   11.671098
H       1.902196   11.283053   11.963341
H       1.334049    9.995140   11.202080
H       2.879446   10.387988   11.066195
C       3.416480    7.472206   11.590410
H       3.711483    8.095235   10.892893
H       2.638098    6.970597   11.272552
H       4.143750    6.850686   11.801376
S      16.923103    7.410932    6.226273
O      18.014024    6.591400    5.776742
O      17.058554    8.812562    5.927178
O      15.626144    6.868482    6.006499
C      17.114197    7.370834    8.011401
F      18.300188    7.882197    8.394329
F      16.166676    8.109720    8.630924
F      17.033117    6.154376    8.517413
N       6.018983    8.427351    9.275063
O       5.572249    7.368582    9.149244
O       5.526145    9.362221    9.868602
H       9.458245   14.543228    8.759259
