   15
scf done:  -237.286581
Si    -0.022185    -0.033291    -0.023243
 C    -0.004811    -0.006501     1.869373
 H     1.363383     0.026415    -0.552533
 H    -0.653094    -1.275705    -0.547172
 C    -1.053375     0.605026     2.600804
 C    -1.054140     0.606764     4.009524
 C     0.000606    -0.000776     4.716860
 C     1.054376    -0.608480     4.007748
 C     1.050838    -0.607722     2.599332
 H    -1.875860     1.086343     2.074382
 H    -1.870096     1.082637     4.548943
 H     0.002926     0.001620     5.804599
 H     1.875737    -1.076355     4.545958
 H     1.879364    -1.077918     2.072067
 H    -0.795427     1.124138    -0.543643

   25
scf done:  -468.311934
Si     0.040676    -0.022167     0.035582
 C     0.002721    -0.049763     1.927961
 C     1.809552     0.025977    -0.636715
 H    -0.617938    -1.230075    -0.534672
 C     2.189908    -0.792713    -1.728246
 C     3.496029    -0.745701    -2.254583
 C     4.450271     0.124129    -1.694159
 C     4.092216     0.942298    -0.604655
 C     2.786074     0.891231    -0.082446
 H     1.466752    -1.474875    -2.172536
 H     3.765223    -1.384346    -3.093002
 H     5.459662     0.162482    -2.097976
 H     4.825305     1.614140    -0.163602
 H     2.531309     1.525439     0.765026
 C    -0.910579     0.762372     2.643977
 C    -0.966742     0.730038     4.051455
 C    -0.104486    -0.118185     4.771381
 C     0.814401    -0.929455     4.077040
 C     0.866602    -0.893119     2.670883
 H    -1.582823     1.427942     2.104723
 H    -1.676123     1.363288     4.579708
 H    -0.145108    -0.145180     5.858133
 H     1.486793    -1.584564     4.626622
 H     1.589297    -1.521589     2.153130
 H    -0.736908     1.168591    -0.406365

   35
scf done:  -699.338300
Si     0.055100    -0.032564     0.075964
 C     0.070016    -0.082267     1.970894
 C     1.824865    -0.023438    -0.605564
 C    -0.935067    -1.484212    -0.633878
 C    -1.547608    -1.380027    -1.907886
 C    -2.269402    -2.455130    -2.460184
 C    -2.395033    -3.661363    -1.743610
 C    -1.797959    -3.782895    -0.474346
 C    -1.077445    -2.703427     0.073363
 H    -1.464799    -0.454224    -2.475829
 H    -2.732288    -2.351334    -3.439096
 H    -2.954493    -4.492858    -2.166878
 H    -1.895745    -4.708945     0.087983
 H    -0.633587    -2.810227     1.061373
 C     2.333750    -1.097245    -1.375690
 C     3.650205    -1.073255    -1.878272
 C     4.484344     0.030448    -1.620447
 C     3.995679     1.109478    -0.857081
 C     2.680641     1.079809    -0.357347
 H     1.701048    -1.956202    -1.589532
 H     4.018919    -1.909766    -2.467968
 H     5.500134     0.051687    -2.009359
 H     4.633136     1.967316    -0.654431
 H     2.322729     1.923678     0.231399
 C    -1.075133     0.322266     2.702141
 C    -1.096913     0.274096     4.108399
 C     0.033651    -0.180917     4.815477
 C     1.181565    -0.584125     4.107669
 C     1.197707    -0.532997     2.699624
 H    -1.959161     0.677807     2.174251
 H    -1.986837     0.590553     4.648025
 H     0.020097    -0.217736     5.902680
 H     2.059873    -0.933403     4.646160
 H     2.097193    -0.838972     2.168933
 H    -0.624018     1.226390    -0.346602

   14
scf done:  -236.686640
 C    -0.006636    -0.007540     0.019281
 C    -0.038895    -0.020465     1.449002
 C     1.242894    -0.023869     2.083266
 C     2.450800    -0.012796     1.359137
 C     2.442875     0.002083    -0.053280
 C     1.195024     0.003612    -0.715158
Si    -1.694607    -0.204707     2.449881
 H    -2.550470     0.774048     1.628085
 H     1.284795    -0.030804     3.173214
 H     3.401589    -0.009536     1.896088
 H     3.375354     0.014070    -0.617709
 H     1.160106     0.019733    -1.806418
 H    -0.952970    -0.001553    -0.523123
 H    -1.356669     0.758811     3.600204

   24
scf done:  -467.716246
 C     0.294919     0.654997     0.063735
 C     0.124971     0.351508     1.446423
 C     1.203294    -0.360015     2.055993
 C     2.352867    -0.749713     1.345251
 C     2.490792    -0.429609    -0.023870
 C     1.447577     0.278119    -0.655425
Si    -1.351984     0.940518     2.564252
 C    -2.817624     1.239708     1.334072
 C    -4.034704     0.497897     1.409011
 C    -5.156455     0.800093     0.611559
 C    -5.108486     1.860812    -0.318097
 C    -3.921271     2.616874    -0.418447
 C    -2.812637     2.317046     0.396702
 H    -1.776317    -0.428407     3.103246
 H    -4.089976    -0.340649     2.102498
 H    -6.063371     0.200715     0.705750
 H    -5.970498     2.092962    -0.943092
 H    -3.863217     3.446331    -1.124772
 H    -1.926808     2.948899     0.325404
 H     1.132093    -0.610723     3.115651
 H     3.143556    -1.300614     1.857258
 H     3.381565    -0.724221    -0.578257
 H     1.525583     0.529874    -1.714415
 H    -0.500866     1.175405    -0.465819

   34
scf done:  -698.744466
 C    -0.057067     0.320419     0.054176
 C    -0.035686     0.023822     1.446911
 C     1.238543    -0.323963     1.986563
 C     2.401684    -0.392095     1.196908
 C     2.345955    -0.088390    -0.180483
 C     1.105026     0.272896    -0.743227
Si    -1.551403     0.184935     2.652610
 C    -1.912472    -1.658102     3.153080
 C    -3.002870    -1.931447     4.031713
 C    -3.289550    -3.226905     4.501542
 C    -2.473916    -4.316598     4.127401
 C    -1.379824    -4.079068     3.270870
 C    -1.113151    -2.779744     2.792209
 C    -3.021424     0.612043     1.455175
 C    -4.133288    -0.234568     1.181969
 C    -5.213101     0.178494     0.374490
 C    -5.220959     1.461241    -0.209939
 C    -4.131895     2.324464     0.037547
 C    -3.068537     1.907754     0.860128
 H    -3.629847    -1.102062     4.360861
 H    -4.140303    -3.385464     5.165232
 H    -2.684920    -5.320399     4.495200
 H    -0.738858    -4.906914     2.964980
 H    -0.274558    -2.633102     2.114696
 H    -4.146397    -1.238799     1.600099
 H    -6.042182    -0.506758     0.193430
 H    -6.051644     1.781093    -0.838531
 H    -4.116884     3.322674    -0.401518
 H    -2.254615     2.605152     1.061072
 H     1.315029    -0.533010     3.054140
 H     3.350856    -0.671707     1.655479
 H     3.244481    -0.130582    -0.795528
 H     1.037660     0.507339    -1.806359
 H    -1.003443     0.581568    -0.414751

   13
scf done:  -126.221562
 P    -0.148840     0.257798    -0.105246
 C     0.006757    -0.011704     1.778844
 C     1.679363    -0.011704    -0.586577
 C    -0.829545    -1.460223    -0.586577
 H    -0.836417    -1.556525    -1.678489
 H    -0.226010    -2.271676    -0.159813
 H    -1.861300    -1.556525    -0.229085
 H     1.766198    -0.053904    -1.678489
 H     2.278640     0.833671    -0.229085
 H     2.080334    -0.940107    -0.159813
 H    -0.993762    -0.053904     2.224684
 H     0.542771    -0.940107     2.014629
 H     0.543563     0.833671     2.224684

   34
scf done:  -701.323370
 P    -0.115776     0.310440    -0.036909
 C     0.017862    -0.068982     1.815358
 C     1.676203     0.072179    -0.607108
 C    -0.939137    -1.265406    -0.692958
 C    -1.455527    -1.220459    -2.009094
 C    -2.095735    -2.341337    -2.569619
 C    -2.242580    -3.521113    -1.813575
 C    -1.742769    -3.570662    -0.498381
 C    -1.092398    -2.450846     0.057404
 H    -1.361174    -0.307874    -2.594735
 H    -2.483878    -2.290375    -3.584354
 H    -2.744287    -4.386037    -2.241621
 H    -1.856739    -4.475534     0.094407
 H    -0.713594    -2.502261     1.074560
 C     2.193227    -1.140366    -1.111857
 C     3.533369    -1.223801    -1.539697
 C     4.375045    -0.098028    -1.461395
 C     3.867279     1.116965    -0.960321
 C     2.525439     1.201695    -0.544606
 H     1.554106    -2.016577    -1.179810
 H     3.915723    -2.164137    -1.930609
 H     5.409343    -0.164053    -1.791490
 H     4.507680     1.994166    -0.902510
 H     2.136727     2.148663    -0.174884
 C    -1.082403     0.293149     2.627072
 C    -1.060116     0.060726     4.014926
 C     0.072956    -0.524499     4.614036
 C     1.177779    -0.876573     3.815537
 C     1.149035    -0.653360     2.424446
 H    -1.955115     0.760879     2.175179
 H    -1.916184     0.342352     4.623881
 H     0.096028    -0.697531     5.687617
 H     2.058686    -1.324074     4.270482
 H     2.009480    -0.927517     1.820308

   77
scf done: -1240.157101
 C     2.564709     1.511852    -0.200540
 C     3.811036     2.124036    -0.436913
 C     3.895832     3.447146    -0.897686
 C     2.681302     4.135291    -1.150532
 C     1.442629     3.547219    -0.898557
 C     1.310324     2.207630    -0.361365
 C     0.034899     1.588391    -0.071664
 C    -1.178897     2.331149     0.184233
 C    -1.197029     3.724325     0.584342
 C    -2.381800     4.446859     0.723596
 C    -3.647084     3.849722     0.490259
 C    -3.675120     2.476815     0.193158
 C    -2.486307     1.730236     0.089797
 P    -2.431241    -0.094470    -0.171179
 C    -3.434067    -0.916598     1.256951
 C    -4.939161    -0.570428     1.296830
 P     2.337633    -0.261979     0.250028
 C     3.057044    -0.601954     2.011353
 C     4.323083     0.217092     2.350729
Pd    -0.051299    -0.498900    -0.018488
 P    -0.058094    -3.059619    -0.020538
 C    -1.587773    -4.066760     0.477055
 C     3.361671    -1.331457    -0.991542
 C     2.991712    -0.907021    -2.431929
 C    -3.443005    -0.416814    -1.772852
 C    -2.734262     0.263272    -2.964898
 C     1.220195    -3.937177     1.074722
 C     0.314312    -3.840924    -1.708385
 C    -3.686257    -1.917022    -2.035656
 C    -2.755657    -0.578839     2.604100
 C     4.893714    -1.358517    -0.790524
 C     1.953851    -0.334992     3.062756
 H     1.130716    -5.025496     0.973115
 H     1.053471    -3.659064     2.120440
 H     2.232872    -3.636959     0.792681
 H    -4.410646     0.080589    -1.613110
 H    -3.334704    -1.994129     1.073011
 H    -4.636920     1.989749     0.043428
 H    -4.565725     4.424221     0.571359
 H    -2.328015     5.491513     1.028583
 H    -0.257018     4.215371     0.809695
 H     2.990758    -2.353221    -0.823221
 H     3.305732    -1.674536     2.016620
 H     4.728994     1.565756    -0.269961
 H     4.858820     3.916184    -1.079590
 H     2.709819     5.141704    -1.566947
 H     0.544488     4.096584    -1.156941
 H     0.378051    -4.933097    -1.629409
 H     1.257858    -3.448603    -2.098367
 H    -0.482191    -3.576645    -2.411728
 H    -2.430459    -3.818301    -0.173131
 H    -1.858210    -3.838698     1.512944
 H    -1.375353    -5.139471     0.391569
 H     1.068574    -0.959055     2.894004
 H     1.626975     0.711425     3.024701
 H     2.341067    -0.538313     4.071344
 H     5.158347     0.017331     1.671593
 H     4.652195    -0.030319     3.370037
 H     4.108073     1.290856     2.315756
 H     5.339017    -2.055272    -1.515448
 H     5.179147    -1.698337     0.211945
 H     5.341546    -0.374615    -0.966876
 H     3.453664    -1.592050    -3.156935
 H     3.349792     0.107372    -2.640531
 H     1.905603    -0.911175    -2.587776
 H    -3.259982    -1.109620     3.423956
 H    -2.813520     0.497340     2.806430
 H    -1.694935    -0.858956     2.603558
 H    -5.445922    -0.759488     0.342099
 H    -5.093252     0.478522     1.570142
 H    -5.433729    -1.187137     2.061065
 H    -4.277749    -2.044360    -2.952605
 H    -4.233961    -2.402940    -1.217617
 H    -2.734378    -2.445540    -2.181339
 H    -1.755781    -0.196227    -3.155831
 H    -2.571164     1.329891    -2.775596
 H    -3.346028     0.162444    -3.872378

   98
scf done: -1815.251065
Pd    -0.577475     0.109488     0.002482
 P    -0.670386     2.547644     0.099829
 P    -1.220651    -2.219838    -0.307337
 C    -2.463426     2.809970    -0.262163
 C    -2.928668    -2.176737     0.392973
 C    -2.651376     0.321415     0.132626
 C    -3.230853     1.591221    -0.242220
 C    -4.615395     1.748192    -0.635318
 C    -5.177922     2.997429    -0.899937
 C    -4.414947     4.188227    -0.803140
 C    -3.048816     4.067735    -0.491651
 C    -4.735625    -0.737730     1.140915
 C    -3.429209    -0.833866     0.526365
 C    -3.673563    -3.307071     0.773097
 C    -4.951934    -3.175831     1.341457
 C    -5.458966    -1.865344     1.531764
 H    -5.145101     0.245153     1.347642
 H    -6.428799    -1.727990     2.008938
 H    -5.523586    -4.050049     1.640699
 H    -3.257294    -4.302615     0.631585
 H    -5.230593     0.862078    -0.749239
 H    -6.224783     3.051353    -1.197275
 H    -4.862146     5.160657    -0.990644
 H    -2.441576     4.968608    -0.432691
 C    -0.360996     3.559699     1.706838
 H    -0.702104     4.579090     1.473499
 C     1.125976     3.599159     2.109784
 C    -1.242143     3.000316     2.845169
 H    -1.131354     3.625595     3.742458
 H    -2.300355     2.985074     2.563321
 H    -0.948553     1.974947     3.103128
 H     1.249486     4.207832     3.016414
 H     1.761265     4.029064     1.325987
 H     1.490890     2.589282     2.335128
 C    -0.201425    -3.579985     0.617204
 H     0.836946    -3.280243     0.431621
 C    -0.464626    -3.505267     2.138982
 C    -0.359859    -5.028325     0.099139
 H     0.336370    -5.678865     0.647830
 H    -0.121971    -5.118031    -0.966688
 H    -1.371380    -5.417011     0.264611
 H    -1.475043    -3.847158     2.386122
 H    -0.357964    -2.485285     2.522960
 H     0.256390    -4.144765     2.667518
 P     2.020889    -0.208880     0.033425
 C     2.649716    -0.382271     1.804253
 C     3.210877     1.097553    -0.685479
 C     1.686557    -0.434884     2.833638
 C     2.082729    -0.558956     4.179269
 C     3.448824    -0.627412     4.508535
 C     4.417918    -0.564775     3.486558
 C     4.021521    -0.442420     2.142846
 H     4.780552    -0.371391     1.368032
 H     5.475864    -0.607421     3.734447
 H     3.756886    -0.720738     5.547233
 H     1.328088    -0.597071     4.960828
 H     0.631060    -0.363243     2.578824
 C     0.360356     3.409661    -1.280882
 C     0.293725     4.953369    -1.303892
 C    -0.039675     2.819001    -2.651525
 H     1.394191     3.114091    -1.063736
 H     0.540368     5.402777    -0.334296
 H    -0.696617     5.307620    -1.609798
 H     1.020290     5.332931    -2.036511
 H    -1.079928     3.065856    -2.896212
 H     0.608819     3.230023    -3.437688
 H     0.057109     1.726407    -2.660608
 C     2.658756    -1.761186    -0.857036
 C     3.573976    -2.674503    -0.292623
 C     4.013232    -3.792918    -1.027196
 C     3.549298    -4.011280    -2.337945
 C     2.626076    -3.111728    -2.903828
 C     2.178896    -2.001295    -2.164529
 H     1.439829    -1.334132    -2.601878
 H     2.249324    -3.274918    -3.910763
 H     3.893607    -4.872707    -2.905033
 H     4.715147    -4.489252    -0.574360
 H     3.937009    -2.534835     0.719889
 C    -1.366772    -2.782294    -2.156271
 C    -2.453037    -3.854920    -2.396484
 C    -1.638540    -1.548287    -3.047861
 H    -0.380245    -3.198546    -2.404123
 H    -3.439777    -3.477124    -2.106905
 H    -2.270106    -4.780843    -1.842833
 H    -2.484942    -4.104004    -3.467082
 H    -2.594898    -1.080738    -2.785276
 H    -0.865799    -0.778666    -2.934427
 H    -1.681757    -1.853757    -4.103533
 C     3.485395     1.127798    -2.070565
 C     4.308256     2.128533    -2.619385
 C     4.870345     3.119386    -1.792475
 C     4.599886     3.098332    -0.411866
 C     3.773768     2.099049     0.136348
 H     3.583370     2.102961     1.204235
 H     5.028385     3.855583     0.240570
 H     5.508216     3.891462    -2.215753
 H     4.509086     2.129945    -3.688056
 H     3.074344     0.372111    -2.731977

   79
scf done: -1351.248239
 C     4.186975    -1.195393    -0.367245
 C     3.088670    -1.743499    -1.078755
 C     3.237007    -3.046056    -1.616603
 C     4.431873    -3.775059    -1.453075
 C     5.509177    -3.212728    -0.741701
 C     5.382665    -1.919237    -0.197420
Si     1.474515    -0.754689    -1.311040
 C     0.434835    -0.460999     0.281943
 C     1.182560     0.386848     1.305172
 C     1.714022    -0.128070     2.521840
 C     2.490513     0.650752     3.396129
 C     2.783705     1.992264     3.093672
 C     2.213474     2.554407     1.937450
 C     1.396161     1.792857     1.079051
 P     0.347249     2.610095    -0.256420
 C    -0.427586     4.132129     0.627842
 C    -1.312581     4.941259    -0.346173
Pd    -1.173123     0.811241    -0.572058
 P    -2.584098    -1.014291    -0.190599
 C    -3.905532    -0.689902     1.172019
 C    -3.218068    -0.123857     2.434280
 C    -0.051341    -1.856596     0.719396
 C    -1.395854    -2.284787     0.508800
 C    -1.798668    -3.609401     0.788930
 C    -0.889620    -4.547453     1.302837
 C     0.443926    -4.151877     1.515624
 C     0.850210    -2.841567     1.218439
 C    -3.525152    -1.882469    -1.615283
 C    -4.677378    -0.986287    -2.122939
 C     1.552088     3.325486    -1.592933
 C     0.837450     3.460258    -2.957242
 C    -2.545102    -2.232737    -2.755441
 C    -4.797354    -1.901213     1.522937
 C     2.272108     4.628900    -1.182142
 C    -1.249272     3.669815     1.850160
 H    -2.374278     1.738655    -1.145718
 H     0.659646    -1.516900    -2.293703
 H     1.880271     0.534594    -1.923647
 H     1.899969    -2.591609     1.327716
 H     1.174712    -4.867157     1.886791
 H    -1.209742    -5.564205     1.516989
 H    -2.823164    -3.918512     0.595980
 H     2.366949     3.613126     1.739502
 H     3.398301     2.595599     3.756865
 H     2.870939     0.202268     4.311935
 H     1.511790    -1.154651     2.799199
 H     2.413816    -3.498040    -2.167618
 H     4.520881    -4.772697    -1.878563
 H     6.433585    -3.772460    -0.614571
 H     6.210006    -1.476296     0.353354
 H     4.112157    -0.197477     0.062191
 H    -3.941782    -2.813131    -1.204523
 H    -4.527963     0.100805     0.731065
 H    -2.104659    -1.321695    -3.179472
 H    -3.080848    -2.759581    -3.557076
 H    -1.727491    -2.876384    -2.410965
 H    -4.293341    -0.013488    -2.454727
 H    -5.440509    -0.807011    -1.355242
 H    -5.171124    -1.468346    -2.977681
 H    -5.300535    -2.329968     0.647215
 H    -5.577893    -1.582826     2.228119
 H    -4.216426    -2.691266     2.013512
 H    -2.560305    -0.872066     2.894437
 H    -3.977947     0.161813     3.174855
 H    -2.614118     0.759299     2.199187
 H     2.305706     2.533976    -1.683263
 H     0.407470     4.757930     0.972710
 H     2.853241     4.506070    -0.260534
 H     1.573207     5.462574    -1.043364
 H     2.974111     4.918864    -1.976642
 H     1.570075     3.721250    -3.733879
 H     0.070404     4.243885    -2.942612
 H     0.350684     2.521291    -3.244008
 H    -0.639229     3.116104     2.572297
 H    -2.076545     3.025692     1.527524
 H    -1.674698     4.545412     2.360305
 H    -0.738129     5.390530    -1.164494
 H    -1.810087     5.754998     0.199265
 H    -2.087376     4.297805    -0.781636

   89
scf done: -1582.269309
 C    -2.545639     2.516384     1.152144
 C    -1.353637     1.978924     1.701954
 C    -1.349490     1.683647     3.088311
 C    -2.479951     1.916447     3.895100
 C    -3.649506     2.458635     3.329546
 C    -3.678331     2.756150     1.953335
Si     0.241771     1.726561     0.698868
 C     0.807436     3.426283     0.011067
 C     0.052910     4.613431     0.186670
 C     0.514319     5.856378    -0.290836
 C     1.751213     5.943927    -0.956664
 C     2.522740     4.779197    -1.134940
 C     2.056241     3.540575    -0.655845
Pd     0.025373    -1.506371     0.600716
 C     0.134831     0.332697    -0.641870
 C     1.439575     0.218041    -1.422873
 C     2.624632    -0.322899    -0.808718
 C     3.866533    -0.289656    -1.472894
 C     3.980925     0.195390    -2.788641
 C     2.813360     0.620793    -3.447063
 C     1.578811     0.634064    -2.776997
 P     2.392382    -1.289207     0.795305
 C     3.333398    -2.937647     0.477984
 C     2.745192    -3.654369    -0.755381
 P    -2.055137    -1.849380    -0.413377
 C    -2.008005    -3.253430    -1.736113
 C    -0.821708    -3.031402    -2.699303
 C    -2.274900    -0.265863    -1.394489
 C    -1.143215     0.598142    -1.460514
 C    -1.299615     1.789433    -2.225853
 C    -2.498783     2.106138    -2.884833
 C    -3.607297     1.243706    -2.791283
 C    -3.486107     0.061696    -2.042254
 C    -3.674129    -2.157437     0.561368
 C    -3.660736    -3.575656     1.176413
 C     3.396357    -0.372070     2.176530
 C     2.827196    -0.701429     3.575808
 C    -3.854030    -1.081375     1.651315
 C    -3.326665    -3.436529    -2.519094
 C     4.925533    -0.577622     2.108967
 C     3.269727    -3.856668     1.718714
 H    -0.478981     2.498681    -2.271476
 H    -2.571414     3.032470    -3.450737
 H    -4.545179     1.488364    -3.283952
 H    -4.345772    -0.598436    -1.953384
 H     0.706362     0.977885    -3.319033
 H     2.861108     0.954121    -4.481994
 H     4.942969     0.198461    -3.294614
 H     4.750700    -0.696224    -0.986861
 H    -4.503250    -2.082302    -0.156964
 H    -1.811562    -4.156371    -1.141892
 H    -3.042531    -1.133420     2.387005
 H    -4.804023    -1.245096     2.178820
 H    -3.864385    -0.068145     1.237743
 H     1.274541     1.361064     1.698297
 H    -0.056289    -2.891666     1.440909
 H    -2.787484    -3.705245     1.828208
 H    -3.640788    -4.366399     0.416259
 H    -4.564031    -3.719835     1.784550
 H    -3.233055    -4.301488    -3.190657
 H    -3.540303    -2.559559    -3.141869
 H    -4.188527    -3.618988    -1.865729
 H     0.124708    -2.938544    -2.157421
 H    -0.961249    -2.120784    -3.295245
 H    -0.742978    -3.881117    -3.391773
 H     3.185219     0.683151     1.966737
 H     4.380026    -2.672187     0.273089
 H     5.405191     0.022589     2.895084
 H     5.343229    -0.251833     1.148962
 H     5.212072    -1.623056     2.275440
 H     3.003821    -1.747012     3.855554
 H     1.746424    -0.523393     3.616278
 H     3.310247    -0.065326     4.330824
 H     3.740815    -4.821321     1.484768
 H     2.226608    -4.046605     2.001663
 H     3.790550    -3.433549     2.585493
 H     3.309312    -4.577658    -0.948829
 H     2.791557    -3.030782    -1.655166
 H     1.697866    -3.923853    -0.571447
 H    -0.896614     4.577461     0.714151
 H    -0.087019     6.750346    -0.137255
 H     2.110730     6.902784    -1.324599
 H     3.483750     4.833132    -1.642441
 H     2.677523     2.660683    -0.805170
 H    -0.452318     1.271873     3.547337
 H    -2.444832     1.680832     4.956694
 H    -4.523077     2.646680     3.950297
 H    -4.576951     3.174277     1.504275
 H    -2.598430     2.749191     0.091456

   99
scf done: -1813.279507
 C     0.480325    -0.394334    -3.297663
 C     0.535734    -0.675387    -1.900956
 C     1.317656    -1.830683    -1.545602
 C     2.093280    -2.514626    -2.502629
 C     2.076926    -2.152439    -3.859640
 C     1.224563    -1.106546    -4.252783
 C    -0.189143     0.175871    -0.839809
Si     1.027771     1.374387     0.160181
 C     0.871316     3.213107    -0.399530
 C    -0.223730     4.003256     0.034795
 C    -0.361155     5.349176    -0.345951
 C     0.601648     5.948585    -1.182303
 C     1.701534     5.188075    -1.620351
 C     1.832350     3.840009    -1.228722
 P     1.067707    -2.554130     0.173278
 C     2.749346    -2.454926     1.123192
 C     3.823372    -3.445272     0.620611
Pd    -0.937811    -1.358552     0.605346
 P    -3.068891    -0.446230     0.275656
 C    -4.267286    -1.689193    -0.587095
 C    -3.625298    -2.212882    -1.890692
 C     0.774347    -4.427746    -0.166249
 C     0.574742    -5.209907     1.151032
 C    -0.439822    -4.624667    -1.097497
 C     2.547008    -2.559463     2.652695
 C    -5.698131    -1.168818    -0.847802
 C    -2.702297     0.898096    -0.972060
 C    -1.352924     1.031470    -1.410055
 C    -1.119849     2.048365    -2.380355
 C    -2.140852     2.857295    -2.898679
 C    -3.461491     2.711701    -2.437151
 C    -3.728855     1.735557    -1.466407
 C    -4.127421     0.372914     1.649304
 C    -4.544942    -0.684204     2.696343
 C    -3.375031     1.552545     2.298830
 C     0.774658     1.524979     2.066520
 C     0.222088     0.528945     2.905738
 C     0.147249     0.688055     4.303568
 C     0.633791     1.859444     4.911189
 C     1.192694     2.867391     4.101940
 C     1.259739     2.698530     2.706699
 C     2.891726     0.980643    -0.092289
 C     3.444963     0.743443    -1.377062
 C     4.830452     0.579812    -1.564674
 C     5.708918     0.652980    -0.466872
 C     5.185338     0.891750     0.817672
 C     3.797667     1.053916     0.996671
 H    -4.742321     1.630708    -1.086987
 H    -4.258024     3.349006    -2.813399
 H    -1.896037     3.620632    -3.633556
 H    -0.105017     2.241955    -2.707328
 H     1.676548    -4.797051    -0.673224
 H     3.091814    -1.441004     0.896635
 H    -1.356693    -4.288574    -0.598606
 H    -0.549694    -5.691990    -1.336251
 H    -0.333337    -4.073822    -2.038634
 H    -1.530851    -2.523125     1.564275
 H     1.477660    -5.228329     1.771559
 H     0.307234    -6.250597     0.921174
 H    -0.241862    -4.771478     1.738958
 H     3.501884    -2.357324     3.158199
 H     2.212436    -3.557350     2.959755
 H     1.815337    -1.829535     3.012426
 H     4.760249    -3.261213     1.164853
 H     4.037270    -3.315632    -0.446227
 H     3.541186    -4.490682     0.798958
 H    -5.027419     0.763669     1.153377
 H    -4.315595    -2.516831     0.134075
 H    -2.463805     1.215181     2.803842
 H    -4.020545     2.033228     3.047000
 H    -3.094020     2.310320     1.557746
 H    -3.662048    -1.148769     3.152281
 H    -5.159634    -1.483158     2.262119
 H    -5.131314    -0.206540     3.493092
 H    -6.191024    -0.801005     0.060159
 H    -6.311731    -1.989917    -1.244508
 H    -5.702395    -0.368483    -1.597268
 H    -3.533909    -1.411719    -2.634705
 H    -4.253092    -3.006016    -2.320114
 H    -2.626977    -2.623735    -1.709781
 H    -0.173961    -0.389034     2.470448
 H    -0.289504    -0.102863     4.910481
 H     0.578691     1.985806     5.990465
 H     1.573923     3.781849     4.551698
 H     1.690750     3.498364     2.110011
 H     2.797180     0.675070    -2.246263
 H     5.218486     0.395284    -2.564194
 H     6.780371     0.528822    -0.610360
 H     5.850463     0.956124     1.676466
 H     3.420096     1.239687     1.998450
 H    -0.979247     3.565563     0.684537
 H    -1.213734     5.926153     0.006369
 H     0.500352     6.990638    -1.478987
 H     2.460550     5.641222    -2.255180
 H     2.704315     3.284045    -1.562615
 H     2.682948    -3.376618    -2.200566
 H     2.670696    -2.699913    -4.587107
 H     1.136529    -0.836235    -5.303388
 H    -0.166112     0.393712    -3.658150

   79
scf done: -1351.273590
Si     2.010837    -1.286310     1.243007
Pd     0.014384    -0.069330     0.469198
 P    -1.330100    -1.989954     0.154014
 P     0.871174     2.181264     0.581570
 C    -1.847230     1.024354     0.064513
 H    -1.967952     1.419392     1.086909
 C    -0.393253     2.994324    -0.557631
 C    -1.551278     2.200729    -0.840072
 C    -2.344554     2.597413    -1.946842
 C    -2.069098     3.774375    -2.667542
 C    -0.995832     4.604694    -2.299312
 C    -0.153140     4.195834    -1.246546
 H     0.719806     4.800089    -1.009829
 H    -0.791558     5.524666    -2.841023
 H    -2.700879     4.044524    -3.511538
 H    -3.186866     1.984716    -2.249127
 C    -3.077456     0.170467    -0.230010
 C    -3.008071    -1.245857    -0.252837
 C    -4.155111    -2.027210    -0.518801
 C    -5.403026    -1.418290    -0.727651
 C    -5.504294    -0.015431    -0.645631
 C    -4.359362     0.759890    -0.401028
 H    -4.456518     1.839905    -0.327549
 H    -6.469640     0.470250    -0.771687
 H    -6.281141    -2.024897    -0.935341
 H    -4.081202    -3.110398    -0.568462
 C     0.847753     3.097550     2.277753
 H     1.681962     2.645128     2.832109
 C    -0.458951     2.792360     3.040817
 H    -0.611049     1.712878     3.158078
 H    -0.418820     3.244342     4.041352
 H    -1.329793     3.211179     2.519147
 C     1.082016     4.619151     2.156933
 H     2.039125     4.859726     1.678500
 H     1.090494     5.071982     3.158203
 C     2.556931     2.695047    -0.190296
 C     3.743667     2.319179     0.724265
 H     3.791065     1.238451     0.893135
 H     4.682853     2.620249     0.240381
 H     3.698771     2.819068     1.699869
 H     2.521067     3.789454    -0.286057
 C     2.717746     2.084363    -1.599150
 H     3.640186     2.465069    -2.059328
 H     2.797615     0.993860    -1.545260
 H     1.879119     2.341811    -2.256189
 C    -1.564801    -3.037788     1.751790
 H    -0.555970    -3.431928     1.934564
 C    -2.552046    -4.219558     1.640487
 C    -1.936585    -2.101703     2.923153
 H    -1.948488    -2.668777     3.863983
 H    -1.211730    -1.284636     3.023382
 H    -2.932435    -1.662224     2.779451
 H    -2.493083    -4.825928     2.555179
 H    -2.328145    -4.880337     0.793845
 H    -3.586249    -3.868775     1.546972
 C    -1.024546    -3.253948    -1.258088
 H    -1.939408    -3.862358    -1.313691
 C     0.175532    -4.178055    -0.960073
 C    -0.852737    -2.504270    -2.597488
 H     0.036770    -1.862744    -2.574401
 H    -1.720298    -1.874210    -2.826804
 H    -0.729486    -3.227684    -3.415031
 H     0.042493    -4.752767    -0.035637
 H     0.297697    -4.894885    -1.783731
 H     1.107518    -3.609562    -0.874067
 H     2.703315    -0.606962     2.395533
 H     1.666837    -2.622928     1.854755
 C     3.453646    -1.701884     0.038305
 C     4.745000    -2.019177     0.534796
 C     5.806060    -2.356088    -0.328264
 C     5.602295    -2.384833    -1.722379
 C     4.332170    -2.068873    -2.240408
 C     3.278306    -1.729044    -1.367955
 H     4.924166    -2.005213     1.608996
 H     6.784710    -2.595247     0.083947
 H     6.419904    -2.645432    -2.391462
 H     4.162673    -2.080674    -3.315593
 H     2.306436    -1.473648    -1.787382
 H     0.278151     5.097015     1.583128

   89
scf done: -1582.296365
Pd    -0.311956    -0.074153     0.077257
Si     1.868635    -1.222014     0.334985
 H     1.640404     2.469001    -3.817169
 P    -1.614832    -2.053638     0.143123
 C    -2.252932     0.926374     0.350891
 H    -2.000199     1.285433     1.364553
 C    -2.369638     2.147555    -0.536138
 C    -1.226274     2.996164    -0.671935
 C    -1.321012     4.240925    -1.319509
 C    -2.520457     4.643219    -1.938803
 C    -3.615446     3.760886    -1.926572
 C    -3.541802     2.538302    -1.234183
 H    -4.408347     1.886568    -1.234553
 H    -4.533424     4.025277    -2.447891
 H    -2.579611     5.598534    -2.454001
 H    -0.448734     4.885590    -1.398316
 C    -3.359969    -1.391719     0.355311
 C    -4.497036    -2.224649     0.456412
 C    -5.760470    -1.679252     0.736043
 C    -5.877394    -0.290587     0.943550
 C    -4.750325     0.537312     0.817103
 C    -3.471230     0.015823     0.482207
 H    -4.855001     1.604684     0.991843
 H    -6.841264     0.143655     1.200432
 H    -6.632620    -2.324536     0.807869
 H    -4.405490    -3.298080     0.314399
 C     2.975636    -0.377436     1.664086
 C     2.561205    -0.403236     3.022202
 C     3.311659     0.212488     4.041027
 C     4.513620     0.879277     3.728860
 C     4.949813     0.915876     2.390776
 C     4.189681     0.297126     1.377420
 H     1.641083    -0.920947     3.291996
 H     2.965446     0.166978     5.072061
 H     5.100426     1.352728     4.513308
 H     5.881978     1.416847     2.135329
 H     4.560967     0.327324     0.355470
 H     1.635654    -2.559965     0.994861
 C     2.998631    -1.680726    -1.151528
 C     4.282093    -2.251883    -0.945992
 C     5.091927    -2.653194    -2.025157
 C     4.635651    -2.496706    -3.349567
 C     3.365221    -1.936728    -3.579932
 C     2.563788    -1.535803    -2.491769
 H     1.583195    -1.105417    -2.686764
 H     2.999760    -1.812300    -4.597605
 H     5.259357    -2.807447    -4.185308
 H     6.071099    -3.088397    -1.834414
 H     4.651310    -2.389814     0.068801
 C     1.006748     2.139873    -2.981973
 C     3.017325     2.334035    -1.428074
 H     1.028926     1.044741    -2.953965
 H    -0.020878     2.459682    -3.185741
 C     1.544926     2.729115    -1.660368
 H     1.475702     3.824858    -1.712698
 H     3.629367     2.703764    -2.262412
 H     3.128781     1.245517    -1.392756
 H     3.426262     2.752173    -0.500702
 C     1.127948     3.149617     1.333869
 H     2.107991     2.682219     1.499029
 C     0.246181     2.871534     2.570986
 H     0.162306     1.796356     2.765738
 H     0.693193     3.341937     3.457026
 H    -0.762789     3.286060     2.440888
 C     1.312259     4.665681     1.107349
 H     1.975366     4.888200     0.262149
 H     0.348297     5.160117     0.934137
 H     1.760071     5.116570     2.003771
 C    -1.298111    -3.219718     1.641554
 H    -0.258001    -3.535526     1.487059
 C    -1.363586    -2.396740     2.947351
 H    -1.065867    -3.024553     3.798188
 H    -0.691523    -1.531040     2.907388
 H    -2.381262    -2.030888     3.135396
 C    -2.191750    -4.476428     1.729113
 H    -1.808678    -5.133360     2.522681
 H    -2.201861    -5.058550     0.799325
 H    -3.224124    -4.217954     1.990827
 C    -1.714752    -3.190084    -1.398317
 C    -0.436148    -4.037570    -1.572352
 H    -0.233052    -4.673810    -0.702588
 H     0.442858    -3.405933    -1.741308
 H    -0.548242    -4.693046    -2.446880
 H    -2.569517    -3.858932    -1.219789
 C    -2.010443    -2.335275    -2.650076
 H    -2.105661    -2.985223    -3.530629
 H    -2.941218    -1.765589    -2.543092
 H    -1.196492    -1.623591    -2.836587
 P     0.417494     2.210878    -0.188200

   99
scf done: -1813.314102
Pd    -0.532964     0.021336    -0.071096
Si     1.985598    -0.091080    -0.023752
 H    -0.370530    -3.805508     3.394244
 P    -0.839012     2.367758     0.253585
 C    -2.687335     0.084004    -0.552782
 H    -2.545932    -0.266057    -1.589263
 C    -3.451620    -0.992434     0.187238
 C    -2.877156    -2.296768     0.264769
 C    -3.614342    -3.382497     0.770083
 C    -4.905644    -3.193869     1.300422
 C    -5.437016    -1.892667     1.340153
 C    -4.724535    -0.812610     0.787649
 H    -5.170354     0.175592     0.817391
 H    -6.411349    -1.715791     1.791519
 H    -5.460526    -4.035453     1.707188
 H    -3.173847    -4.375916     0.806514
 C    -2.643516     2.623249    -0.206532
 C    -3.275036     3.887250    -0.219337
 C    -4.587957     4.024316    -0.698528
 C    -5.264680     2.888979    -1.187708
 C    -4.646194     1.629352    -1.141251
 C    -3.336139     1.461780    -0.617704
 H    -5.179249     0.759189    -1.516443
 H    -6.268670     2.985162    -1.595490
 H    -5.068973     4.999464    -0.706152
 H    -2.749902     4.766372     0.141796
 C     2.542222    -1.409194    -1.325694
 C     1.996480    -1.353205    -2.635882
 C     2.393577    -2.244719    -3.650455
 C     3.350221    -3.242035    -3.378449
 C     3.894648    -3.332748    -2.083069
 C     3.496874    -2.428287    -1.078267
 H     1.232655    -0.610511    -2.864463
 H     1.956617    -2.163485    -4.644190
 H     3.661589    -3.934809    -4.157441
 H     4.630499    -4.101620    -1.854425
 H     3.935776    -2.530073    -0.089296
 C     2.992642     1.470071    -0.593901
 C     3.210871     1.780330    -1.961413
 C     3.936908     2.919320    -2.360653
 C     4.475190     3.793208    -1.396368
 C     4.282513     3.504986    -0.031409
 C     3.553706     2.364021     0.356968
 H     2.830548     1.117807    -2.733868
 H     4.089453     3.116136    -3.420371
 H     5.041844     4.670679    -1.701108
 H     4.705367     4.158513     0.729593
 H     3.443306     2.157065     1.418448
 C     2.836171    -0.491870     1.659564
 C     4.241722    -0.670297     1.765153
 C     4.865424    -0.914402     3.002756
 C     4.097814    -0.973968     4.183444
 C     2.706319    -0.778501     4.110326
 C     2.093068    -0.541361     2.863539
 H     1.017697    -0.379601     2.825024
 H     2.102385    -0.807543     5.015415
 H     4.578161    -1.159558     5.141958
 H     5.944622    -1.047819     3.047219
 H     4.861557    -0.591540     0.874183
 C    -0.706091    -3.072248     2.647573
 C     1.070034    -3.974625     1.054959
 H    -0.160112    -2.141438     2.826239
 H    -1.772915    -2.885227     2.808688
 C    -0.418850    -3.614283     1.231581
 H    -1.018856    -4.522613     1.082875
 H     1.346423    -4.744191     1.789235
 H     1.709280    -3.104387     1.229589
 H     1.295733    -4.366362     0.056257
 C    -0.851415    -3.374107    -1.768742
 H     0.230895    -3.401564    -1.944585
 C    -1.513247    -2.591692    -2.924108
 H    -1.097474    -1.582398    -3.020342
 H    -1.341945    -3.119545    -3.872077
 H    -2.598248    -2.509654    -2.775099
 C    -1.395406    -4.817733    -1.706000
 H    -0.891668    -5.426023    -0.945822
 H    -2.474360    -4.830579    -1.507189
 H    -1.232579    -5.307780    -2.676228
 C     0.148774     3.578465    -0.871720
 H     1.190721     3.324861    -0.652127
 C    -0.131797     3.230146    -2.350286
 H     0.534538     3.815457    -2.997271
 H     0.050829     2.167795    -2.551746
 H    -1.169133     3.459964    -2.625803
 C    -0.051269     5.086615    -0.604257
 H     0.704304     5.647096    -1.171889
 H     0.073055     5.352123     0.452606
 H    -1.035120     5.433495    -0.939564
 C    -0.742971     3.065837     2.040615
 C     0.710161     3.190206     2.540012
 H     1.323657     3.826243     1.891861
 H     1.187231     2.206136     2.598976
 H     0.715720     3.627680     3.547957
 H    -1.194679     4.067424     1.985801
 C    -1.596331     2.192515     2.986396
 H    -1.577548     2.616929     3.999692
 H    -2.640962     2.136197     2.659041
 H    -1.201251     1.170084     3.037299
 P    -1.033726    -2.385620    -0.121152

   92
scf done: -1477.488309
 P     2.651972    -1.065463    -0.337264
Pd    -0.025993    -0.630157    -0.005421
 P    -0.491293     1.740757     1.271283
 C     0.385833     0.800517    -1.547223
 C     1.781979     1.433241    -1.399828
 C     4.269118    -1.432075     0.675390
 C     2.924207    -2.013500    -2.020197
 C     4.342470    -2.930232     1.049474
 C     4.307013    -0.558164     1.949490
 H     5.140526    -1.192485     0.050680
 H     4.450267    -3.573575     0.169436
 H     5.207861    -3.110632     1.702693
 H     5.214887    -0.777627     2.529555
 H     3.443602    -3.250831     1.594546
 H     3.441034    -0.766011     2.592621
 C    -0.732250     1.823745    -1.556265
 C    -1.180471     2.444692    -0.353436
 C    -1.327242     2.220150    -2.777647
 C    -2.325104     3.211378    -2.825143
 C    -2.735145     3.845608    -1.638919
 C    -2.159638     3.455503    -0.412937
 H    -2.510630     3.932360     0.498840
 H    -3.498554     4.619780    -1.660602
 H    -2.770754     3.487755    -3.778220
 H    -0.999349     1.742064    -3.698426
 C     2.921883     0.705815    -0.947015
 C     4.193514     1.320596    -0.947833
 C     4.369297     2.649766    -1.368565
 C     3.251165     3.379483    -1.808339
 C     1.984270     2.772856    -1.825319
 H     1.134031     3.346103    -2.181789
 H     3.361779     4.409104    -2.142163
 H     5.358352     3.101850    -1.353813
 H     5.065708     0.766569    -0.612187
 C     2.365746    -3.453765    -1.980470
 C     4.370190    -1.969103    -2.557676
 H     2.289997    -1.430309    -2.702681
 H     1.326370    -3.467491    -1.635948
 H     2.391959    -3.889867    -2.989570
 H     2.956851    -4.107246    -1.326011
 H     4.403145    -2.399769    -3.568842
 H     4.748169    -0.941965    -2.622000
 H     5.056698    -2.554449    -1.931827
 C    -1.954033     2.066341     2.498945
 H     1.092536     5.186381     2.255965
 C    -3.217433     1.290483     2.066963
 C    -1.556651     1.700038     3.947017
 H    -1.213410     0.658817     4.014910
 H    -0.760915     2.343558     4.338115
 H    -2.427359     1.806536     4.609165
 H    -3.049231     0.208329     2.093573
 H    -3.535333     1.543385     1.051211
 H    -4.046190     1.520853     2.752099
 H    -2.175477     3.141917     2.467202
 C     0.267314     4.474859     2.106281
 C     1.802911     2.564097     2.838077
 H     1.409105     3.179897     0.817721
 H     2.191746     1.573031     2.580004
 H     2.657327     3.248794     2.936669
 H     1.320283     2.496286     3.821194
 H    -0.368785     4.870826     1.306028
 H    -0.315859     4.452589     3.036440
Si    -1.458299    -1.745196    -1.600779
 H    -1.225854    -3.231149    -1.646489
 C    -3.350737    -1.623568    -1.337269
 C    -4.121393    -2.779469    -1.048961
 C    -5.516855    -2.709611    -0.859742
 C    -6.180601    -1.472164    -0.959427
 C    -5.435868    -0.310938    -1.249028
 C    -4.042159    -0.387259    -1.429480
 H    -3.490313     0.523607    -1.650807
 H    -5.938485     0.650680    -1.335538
 H    -7.258236    -1.413618    -0.820062
 H    -6.080752    -3.615825    -0.645625
 H    -3.631165    -3.750919    -0.992029
 H    -1.212488    -1.283847    -3.006371
 P    -0.500958    -2.372610     1.690856
 C    -2.247072    -2.633684     2.370429
 H    -2.292606    -3.548003     2.974593
 H    -2.958885    -2.702924     1.543392
 H    -2.525642    -1.780058     2.995809
 C    -0.032455    -4.140569     1.213304
 H    -0.199723    -4.825159     2.053801
 H    -0.634014    -4.458492     0.357076
 H     1.021840    -4.168570     0.922997
 C     0.479684    -2.176732     3.298593
 H     0.252686    -2.991063     3.997896
 H     0.230158    -1.217493     3.761988
 H     1.548875    -2.182304     3.067162
 H     0.381026     0.258816    -2.500934
 C     0.837877     3.086464     1.749558
 H     4.303051     0.512699     1.718889

  102
scf done: -1708.510508
 P    -2.579503    -1.222414    -0.611376
Pd    -0.113385    -0.065850    -0.661416
 P    -0.362682     2.564302     0.275896
 C    -0.296843    -0.337170     1.448163
 C    -1.756356    -0.241030     1.940282
 C    -4.345791    -1.083960    -1.412767
 C    -2.346685    -3.135084    -0.324249
 C    -4.355248    -1.703736    -2.828740
 C    -4.788915     0.394394    -1.473495
 H    -5.055574    -1.645223    -0.790045
 H    -4.181401    -2.784916    -2.812076
 H    -5.331490    -1.531764    -3.303777
 H    -5.790075     0.469089    -1.921758
 H    -3.590239    -1.246108    -3.471735
 H    -4.100258     0.983373    -2.094515
 C     0.620990     0.652338     2.143044
 C     0.631500     2.038485     1.806835
 C     1.457517     0.214680     3.199102
 C     2.272995     1.108603     3.916110
 C     2.251591     2.479014     3.601632
 C     1.430408     2.930821     2.549988
 H     1.443375     3.989341     2.301974
 H     2.868175     3.184629     4.153572
 H     2.910032     0.737774     4.716170
 H     1.463183    -0.841459     3.456779
 C    -2.878853    -0.672276     1.174611
 C    -4.169959    -0.657972     1.749627
 C    -4.388047    -0.207317     3.061940
 C    -3.290020     0.230946     3.822888
 C    -2.001306     0.206417     3.266270
 H    -1.163407     0.534074     3.873439
 H    -3.431236     0.582253     4.842905
 H    -5.392701    -0.200277     3.478363
 H    -5.026516    -0.994831     1.172225
 C    -1.704568    -3.833538    -1.543589
 C    -3.608443    -3.877484     0.164193
 H    -1.611248    -3.140068     0.491847
 H    -0.794223    -3.316064    -1.864785
 H    -1.434711    -4.867435    -1.283315
 H    -2.391410    -3.883034    -2.397301
 H    -3.350117    -4.913143     0.428997
 H    -4.037761    -3.405549     1.055499
 H    -4.382767    -3.923753    -0.613019
 C     0.646295     4.100747    -0.344301
 H    -2.619466     4.920222     2.451153
 C     2.088002     3.699059    -0.722236
 C    -0.054199     4.784506    -1.540770
 H    -0.182097     4.088160    -2.380429
 H    -1.040031     5.182233    -1.278171
 H     0.559722     5.623201    -1.898087
 H     2.097179     2.916802    -1.489467
 H     2.649520     3.318280     0.135353
 H     2.625332     4.571911    -1.120495
 H     0.688292     4.823084     0.482289
 C    -1.690015     4.616239     1.947665
 C    -3.072599     3.589494     0.062225
 H    -2.275659     2.550797     1.768919
 H    -3.215615     2.714525    -0.580512
 H    -4.021207     3.787097     0.581586
 H    -2.865106     4.454333    -0.579880
 H    -0.937701     4.436121     2.723988
 H    -1.361279     5.464441     1.332095
Si     1.849706    -1.498414    -0.657084
 H     1.764005    -2.403930    -1.857734
 C     3.522223    -0.601607    -0.916675
 C     4.422521    -1.044221    -1.920336
 C     5.670949    -0.421777    -2.120285
 C     6.054415     0.664532    -1.310138
 C     5.178238     1.119429    -0.305179
 C     3.929051     0.496862    -0.117168
 H     3.264025     0.873968     0.656689
 H     5.464233     1.956835     0.328606
 H     7.018808     1.146358    -1.458003
 H     6.340322    -0.786739    -2.897137
 H     4.152509    -1.895191    -2.544406
 C     2.125675    -2.744555     0.775455
 C     1.322014    -3.910158     0.875946
 C     1.516345    -4.857792     1.898217
 C     2.529582    -4.663993     2.857810
 C     3.343605    -3.518415     2.776259
 H     4.138432    -3.361721     3.503245
 C     3.141969    -2.574420     1.749316
 H     3.796672    -1.707798     1.698395
 H     0.544236    -4.092355     0.137556
 H     0.886220    -5.744270     1.942516
 H     2.685841    -5.395555     3.647963
 P     0.125726     0.246599    -3.113437
 C     1.679740     1.040395    -3.843289
 H     1.651650     1.005380    -4.939243
 H     2.566950     0.514750    -3.479893
 H     1.743063     2.084065    -3.520584
 C    -0.031067    -1.298690    -4.190198
 H     0.008684    -1.035810    -5.254264
 H     0.781971    -1.991476    -3.954407
 H    -0.982466    -1.792024    -3.971029
 C    -1.225440     1.334351    -3.872952
 H    -1.046094     1.491546    -4.943791
 H    -1.247194     2.299280    -3.358452
 H    -2.195946     0.847905    -3.735582
 H     0.043215    -1.353671     1.677129
 C    -1.949261     3.354758     1.097834
 H    -4.825993     0.856676    -0.481544

  112
scf done: -1939.502265
 P    -1.720686    -2.344618     0.486627
Pd    -0.398942    -0.242843    -0.450681
 P    -1.892132     1.833205    -1.067209
 C    -0.994507     0.500613     1.498096
 C    -2.366080    -0.028713     1.966547
 C    -2.958537    -3.712200    -0.155404
 C    -0.620690    -3.314456     1.768956
 C    -2.256341    -4.802875    -0.994297
 C    -4.116833    -3.091743    -0.972427
 H    -3.383873    -4.198664     0.733512
 H    -1.554233    -5.402153    -0.407629
 H    -3.010144    -5.487562    -1.405516
 H    -4.865696    -3.864662    -1.193115
 H    -1.707006    -4.375766    -1.842556
 H    -3.758699    -2.699389    -1.931409
 C    -0.933043     2.020330     1.554252
 C    -1.418085     2.808156     0.476879
 C    -0.489683     2.686010     2.719315
 C    -0.518366     4.088452     2.820100
 C    -1.020228     4.857497     1.755292
 C    -1.471964     4.209514     0.589910
 H    -1.842795     4.812280    -0.232672
 H    -1.053432     5.940187     1.824649
 H    -0.153324     4.571880     3.721064
 H    -0.118563     2.105077     3.557528
 C    -2.810190    -1.345924     1.662058
 C    -4.025373    -1.825636     2.192924
 C    -4.839448    -1.019217     3.004841
 C    -4.421033     0.288856     3.299779
 C    -3.201193     0.766159     2.793385
 H    -2.894962     1.772521     3.048532
 H    -5.035033     0.935610     3.919627
 H    -5.775599    -1.405603     3.395475
 H    -4.354567    -2.835939     1.976499
 C     0.542052    -4.072738     1.089512
 C    -1.397783    -4.229169     2.740954
 H    -0.182349    -2.490967     2.350626
 H     1.082521    -3.437244     0.382818
 H     1.256407    -4.411714     1.851883
 H     0.197369    -4.962672     0.551318
 H    -0.720024    -4.579666     3.530800
 H    -2.228759    -3.707294     3.227730
 H    -1.794275    -5.119265     2.235296
 C    -1.668651     3.141915    -2.485263
 H    -5.629463     2.913676    -0.620289
 C    -0.191726     3.587214    -2.583861
 C    -2.188469     2.635395    -3.850347
 H    -1.767622     1.659705    -4.118256
 H    -3.279080     2.548801    -3.878282
 H    -1.894004     3.344003    -4.635212
 H     0.481593     2.736212    -2.732662
 H     0.149171     4.105740    -1.683549
 H    -0.066002     4.270905    -3.434450
 H    -2.278128     4.011228    -2.200855
 C    -4.575657     3.072323    -0.886618
 C    -4.464820     0.721236    -1.869630
 H    -3.932935     1.288299     0.131648
 H    -3.896480    -0.211671    -1.922000
 H    -5.484581     0.475091    -1.544935
 H    -4.536916     1.134765    -2.881730
 H    -4.158519     3.781212    -0.163126
 H    -4.559325     3.541531    -1.878574
Si     2.196489    -0.018195     0.154805
 C     3.290203    -1.333055    -0.695303
 C     2.984419     1.712634    -0.279930
 C     4.184942     1.925460    -1.002935
 C     4.737766     3.210804    -1.168978
 C     4.113108     4.335734    -0.604834
 C     2.927870     4.150742     0.133794
 C     2.377135     2.866485     0.282475
 H     1.467395     2.765591     0.861287
 H     2.433611     5.000346     0.597370
 H     4.542809     5.325952    -0.727529
 H     5.665192     3.325224    -1.724492
 H     4.738890     1.086913    -1.407703
 C     2.927178    -0.128179     1.954181
 P     0.019581    -1.102604    -2.732486
 C     0.949711    -0.015853    -3.974290
 H     1.101134    -0.551076    -4.919440
 H     1.915411     0.271524    -3.561166
 H     0.378352     0.894872    -4.167241
 C     0.869596    -2.781472    -2.953043
 H     0.871403    -3.062377    -4.013415
 H     1.896607    -2.744092    -2.586766
 H     0.321899    -3.536994    -2.383782
 C    -1.553485    -1.459145    -3.735399
 H    -1.288812    -1.714600    -4.768756
 H    -2.224548    -0.597887    -3.737474
 H    -2.077870    -2.306213    -3.285590
 H    -0.253806     0.071255     2.171444
 C    -3.831760     1.718040    -0.871805
 H    -4.622953    -2.276202    -0.448237
 C     3.861821    -1.185815    -1.984922
 C     4.649554    -2.190332    -2.582021
 C     4.881300    -3.403781    -1.908074
 C     4.313473    -3.588891    -0.632022
 C     3.537285    -2.572473    -0.045357
 H     3.700875    -0.274818    -2.552321
 H     5.077385    -2.022188    -3.568720
 H     5.490050    -4.182462    -2.362304
 H     4.479875    -4.517441    -0.089270
 H     3.137765    -2.742232     0.951709
 C     4.337671    -0.246534     2.087831
 C     4.978832    -0.259612     3.338988
 C     4.228582    -0.149268     4.525541
 C     2.833983    -0.009701     4.429137
 C     2.206421     0.006507     3.166295
 H     4.959029    -0.307530     1.198715
 H     6.062820    -0.348670     3.383626
 H     4.720060    -0.161433     5.496149
 H     2.231208     0.091132     5.330306
 H     1.130831     0.130936     3.155798

  113
scf done: -2052.572979
 P    -0.823875     1.294595     2.306796
Pd    -0.243496     0.151545    -0.264416
 P    -0.743100    -2.710855    -0.100065
 C    -2.358361     0.008762    -0.248258
 C    -2.936775    -0.275922     1.158453
 C    -0.201115     1.249327     4.143729
 C    -1.647225     3.061079     2.127583
 C     0.952635     2.260184     4.346625
 C     0.279695    -0.171150     4.518367
 H    -1.029643     1.534098     4.805559
 H     0.617724     3.298346     4.249883
 H     1.374825     2.139920     5.353511
 H     0.619867    -0.182862     5.563393
 H     1.761719     2.091940     3.624342
 H     1.124746    -0.469502     3.887389
 C    -2.776218    -1.052598    -1.255252
 C    -2.236185    -2.371506    -1.238813
 C    -3.798678    -0.751295    -2.187685
 C    -4.300760    -1.720156    -3.072806
 C    -3.794035    -3.030960    -3.026249
 C    -2.769438    -3.342103    -2.112813
 H    -2.377688    -4.354466    -2.111810
 H    -4.177579    -3.798073    -3.694386
 H    -5.085395    -1.457059    -3.778270
 H    -4.210636     0.254752    -2.202606
 C    -2.417265     0.268971     2.368008
 C    -3.102375     0.046484     3.585989
 C    -4.283086    -0.708878     3.647789
 C    -4.806808    -1.247669     2.459306
 C    -4.143011    -1.025130     1.243767
 H    -4.574396    -1.433439     0.336885
 H    -5.725080    -1.830202     2.473028
 H    -4.784999    -0.862637     4.599856
 H    -2.716116     0.470286     4.507414
 C    -0.627913     4.150851     1.726196
 C    -2.514079     3.515262     3.321968
 H    -2.314302     2.898523     1.269944
 H     0.034783     3.785258     0.934379
 H    -1.150076     5.047154     1.364820
 H     0.001830     4.448879     2.571824
 H    -3.027752     4.452769     3.066809
 H    -3.280901     2.774767     3.573425
 H    -1.907245     3.707476     4.215895
 C     0.189032    -4.099856    -1.089842
 H    -2.687288    -5.447679     1.934072
 C     0.634672    -3.579812    -2.476340
 C     1.408728    -4.649949    -0.315458
 H     2.134331    -3.856507    -0.098596
 H     1.127894    -5.129371     0.627854
 H     1.921303    -5.402396    -0.930213
 H     1.370224    -2.777671    -2.377419
 H    -0.204474    -3.197463    -3.066507
 H     1.102059    -4.396461    -3.043973
 H    -0.515546    -4.928064    -1.234629
 C    -2.138695    -5.060941     1.063838
 C    -0.658122    -3.683325     2.630758
 H    -2.427207    -3.006649     1.627655
 H    -0.310041    -2.676064     2.885728
 H    -1.214998    -4.076416     3.492228
 H     0.220201    -4.323500     2.486754
 H    -2.836187    -5.031376     0.219313
 H    -1.342298    -5.779151     0.833330
Si    -0.445757     1.460077    -2.279948
 H     0.725147     2.387613    -2.407641
 H    -0.360240     0.582358    -3.494086
 C    -1.969831     2.565535    -2.617688
 C    -2.284436     3.681790    -1.800727
 C    -3.384453     4.515027    -2.080155
 C    -4.209428     4.249159    -3.190729
 C    -3.920057     3.145720    -4.015583
 H    -4.546714     2.932067    -4.879070
 C    -2.815665     2.317787    -3.729249
 H    -2.604462     1.474604    -4.383077
 H    -1.658384     3.912010    -0.941414
 H    -3.595611     5.367452    -1.437624
 H    -5.058928     4.892055    -3.410341
 P     2.402798     0.267947    -0.367450
 C     3.306348    -0.716261    -1.713081
 C     3.221596     1.960158    -0.597750
 C     3.244999    -0.368534     1.203408
 H    -2.764881     0.977235    -0.559094
 C    -1.578418    -3.658744     1.387397
 H    -0.510194    -0.921642     4.411151
 C     4.363953     0.268382     1.780918
 C     4.968823    -0.265398     2.935350
 C     4.465960    -1.443215     3.521309
 C     3.345159    -2.078602     2.952840
 C     2.733517    -1.538706     1.805619
 H     4.774472     1.164693     1.324568
 H     5.832262     0.233525     3.369492
 H     4.937103    -1.854682     4.410934
 H     2.941500    -2.982477     3.403162
 H     1.847755    -2.012796     1.390589
 C     4.371011    -1.598832    -1.433495
 C     5.011669    -2.295486    -2.477450
 C     4.598438    -2.114044    -3.810631
 C     3.535896    -1.233501    -4.095099
 C     2.891132    -0.542811    -3.053373
 H     4.720204    -1.727928    -0.413169
 H     5.833295    -2.969958    -2.247479
 H     5.096712    -2.649309    -4.615619
 H     3.206549    -1.085671    -5.120799
 H     2.067715     0.126241    -3.289806
 C     4.470284     2.120451    -1.232856
 C     5.041117     3.401736    -1.358908
 C     4.373713     4.531034    -0.847214
 C     3.126357     4.375047    -0.211125
 C     2.555116     3.095934    -0.093267
 H     5.002340     1.255163    -1.619646
 H     6.003218     3.514816    -1.853467
 H     4.817695     5.518706    -0.948130
 H     2.597896     5.241856     0.178396
 H     1.583453     2.969695     0.374583

  123
scf done: -2283.596878
 P     1.162716    -2.468171    -1.362669
Pd     0.242511    -0.048878    -0.119775
 P     0.674916    -0.278695     2.745963
 C     2.358353     0.157181     0.113546
 C     3.084395    -1.186522     0.339890
 C     0.782100    -4.370519    -1.482694
 C     2.022588    -2.069057    -3.074859
 C    -0.369550    -4.617745    -2.484690
 C     0.406739    -4.945947    -0.099263
 H     1.679682    -4.883775    -1.853995
 H    -0.106440    -4.321033    -3.505660
 H    -0.622047    -5.687576    -2.504121
 H     0.197924    -6.022069    -0.189549
 H    -1.273249    -4.069254    -2.189020
 H    -0.497717    -4.463820     0.288045
 C     2.635661     1.146903     1.231039
 C     2.039134     1.026047     2.520731
 C     3.581987     2.180799     1.025812
 C     3.939683     3.072438     2.052363
 C     3.366494     2.932118     3.328504
 C     2.423809     1.909308     3.549981
 H     1.975637     1.826059     4.536525
 H     3.639029     3.606337     4.136820
 H     4.665747     3.858613     1.858054
 H     4.047313     2.275009     0.048449
 C     2.714929    -2.415884    -0.278808
 C     3.516630    -3.565357    -0.086808
 C     4.673439    -3.541214     0.707210
 C     5.051832    -2.332498     1.316753
 C     4.268864    -1.183730     1.128150
 H     4.587239    -0.259022     1.597210
 H     5.949792    -2.278570     1.928375
 H     5.266413    -4.443111     0.838699
 H     3.241208    -4.500440    -0.564196
 C     1.010595    -1.767747    -4.201786
 C     3.066952    -3.105465    -3.542002
 H     2.550324    -1.135752    -2.835386
 H     0.226111    -1.079649    -3.871964
 H     1.527911    -1.308542    -5.056549
 H     0.527180    -2.681510    -4.569520
 H     3.573550    -2.736447    -4.445958
 H     3.835137    -3.284796    -2.782412
 H     2.599701    -4.065332    -3.799672
 C    -0.396883     0.520788     4.149796
 H     2.734467    -2.171976     5.494697
 C    -0.984329     1.870753     3.687895
 C    -1.528542    -0.430242     4.603063
 H    -2.234581    -0.624418     3.786372
 H    -1.150305    -1.391163     4.970612
 H    -2.095130     0.038092     5.420108
 H    -1.597157     1.747148     2.789880
 H    -0.206747     2.607327     3.463373
 H    -1.628529     2.285172     4.476808
 H     0.264737     0.694606     5.008825
 C     2.097612    -1.362547     5.108609
 C     0.896344    -3.043690     3.600992
 H     2.554109    -1.794046     3.051550
 H     0.629554    -3.300573     2.569639
 H     1.536068    -3.847840     3.991966
 H    -0.021853    -3.033954     4.202908
 H     2.682341    -0.436003     5.149499
 H     1.243528    -1.266377     5.791594
Si     0.289732     1.924206    -1.542549
 H    -0.670359     1.683447    -2.667457
 C    -0.333859     3.551406    -0.746249
 C    -1.258818     4.365944    -1.449140
 C    -1.706426     5.595606    -0.926285
 C    -1.230935     6.046264     0.320563
 C    -0.310843     5.254386     1.035855
 C     0.126925     4.023651     0.509480
 H     0.828875     3.426445     1.085116
 H     0.065194     5.591814     1.999552
 H    -1.567403     6.998641     0.725191
 H    -2.414963     6.198080    -1.491210
 H    -1.631176     4.038622    -2.418313
 C     1.894516     2.414699    -2.474701
 C     2.291853     1.700174    -3.634511
 C     3.436202     2.059587    -4.370857
 C     4.221653     3.156235    -3.964888
 C     3.842252     3.888133    -2.823891
 H     4.430071     4.747747    -2.507722
 C     2.694957     3.520772    -2.092763
 H     2.411073     4.116786    -1.229170
 H     1.688031     0.866174    -3.983025
 H     3.708993     1.493911    -5.259752
 H     5.105174     3.440015    -4.532666
 P    -2.318235    -0.323516    -0.290545
 C    -3.452699     0.710004     0.823396
 C    -3.164295    -0.082246    -1.967307
 C    -2.882169    -2.075831     0.167484
 H     2.743320     0.567783    -0.825553
 C     1.654074    -1.697026     3.669032
 H     1.205336    -4.819295     0.639274
 C    -3.814617    -2.799489    -0.605285
 C    -4.243193    -4.078067    -0.195865
 C    -3.752071    -4.643793     0.995571
 C    -2.814975    -3.928860     1.767334
 C    -2.376189    -2.659259     1.350147
 H    -4.215772    -2.371547    -1.519153
 H    -4.963173    -4.621681    -0.803239
 H    -4.088811    -5.627071     1.315686
 H    -2.418945    -4.360426     2.683638
 H    -1.635270    -2.126218     1.939239
 C    -4.459461     0.137858     1.629976
 C    -5.302383     0.956661     2.407267
 C    -5.155333     2.356358     2.380012
 C    -4.152087     2.932695     1.576972
 C    -3.302904     2.114810     0.809355
 H    -4.596713    -0.938875     1.656744
 H    -6.072929     0.499414     3.023891
 H    -5.810114     2.987586     2.976587
 H    -4.017598     4.010825     1.548723
 H    -2.525816     2.578104     0.210663
 C    -4.454521     0.474662    -2.094810
 C    -5.051229     0.609703    -3.363304
 C    -4.368611     0.183566    -4.518538
 C    -3.079956    -0.371294    -4.396946
 C    -2.482409    -0.496929    -3.129602
 H    -4.997282     0.806384    -1.214814
 H    -6.044981     1.043981    -3.444522
 H    -4.829985     0.288115    -5.497836
 H    -2.536318    -0.692964    -5.282244
 H    -1.479779    -0.903191    -3.051085

  133
scf done: -2514.569194
 P    -0.680090    -1.763563     2.289738
Pd    -0.313228    -0.287515     0.066887
 P    -1.812801    -1.206899    -2.047144
 C    -2.369124     0.215537     0.594225
 C    -3.156099    -0.961492     1.218787
 C    -0.202659    -3.481602     3.068912
 C    -0.685759    -0.550822     3.812981
 C     1.271343    -3.522398     3.527908
 C    -0.464729    -4.636623     2.075745
 H    -0.843982    -3.620873     3.952273
 H     1.469373    -2.843498     4.364883
 H     1.521122    -4.541082     3.860262
 H    -0.333356    -5.600019     2.591329
 H     1.954851    -3.260690     2.709046
 H     0.253122    -4.603218     1.248040
 C    -3.130194     0.796445    -0.588185
 C    -3.056679     0.201684    -1.874912
 C    -4.045550     1.857894    -0.391588
 C    -4.842896     2.345370    -1.443038
 C    -4.758221     1.753935    -2.716983
 C    -3.871151     0.679747    -2.921439
 H    -3.814625     0.229581    -3.910050
 H    -5.374181     2.116760    -3.538185
 H    -5.525073     3.175593    -1.266231
 H    -4.132705     2.298964     0.597264
 C    -2.542873    -1.911317     2.079625
 C    -3.316899    -2.904711     2.715040
 C    -4.701441    -3.006594     2.492167
 C    -5.319421    -2.085656     1.627556
 C    -4.556092    -1.078695     1.011545
 H    -5.063879    -0.372099     0.363324
 H    -6.389148    -2.144457     1.431102
 H    -5.280898    -3.784337     2.986694
 H    -2.846910    -3.609401     3.396673
 C     0.723714    -0.051702     4.174767
 C    -1.434231    -1.065551     5.061305
 H    -1.246656     0.303664     3.408117
 H     1.281557     0.217344     3.265123
 H     0.663049     0.818114     4.843486
 H     1.304411    -0.828169     4.690420
 H    -1.544279    -0.244833     5.786003
 H    -2.439101    -1.429226     4.814807
 H    -0.881755    -1.875313     5.559801
 C    -1.514130    -1.263770    -3.967537
 H    -4.881855    -3.596893    -2.632591
 C    -0.985537     0.066138    -4.540620
 C    -0.585750    -2.442915    -4.337458
 H     0.349050    -2.419915    -3.762870
 H    -1.064612    -3.414600    -4.162640
 H    -0.322055    -2.384359    -5.403439
 H    -0.052925     0.366583    -4.062405
 H    -1.705201     0.885176    -4.423603
 H    -0.781198    -0.057146    -5.615018
 H    -2.502298    -1.447396    -4.412362
 C    -4.133797    -2.850326    -2.940335
 C    -2.428427    -4.096809    -1.566591
 H    -3.588905    -2.435976    -0.906047
 H    -1.669347    -4.051368    -0.783506
 H    -3.212279    -4.788161    -1.221864
 H    -1.976580    -4.524291    -2.471397
 H    -4.664943    -1.909277    -3.120765
 H    -3.698846    -3.198089    -3.888036
Si     0.195640     2.298581     0.546290
 C     1.966289     2.683170     1.290673
 C     0.096304     3.465016    -1.026990
 C     0.849880     4.652868    -1.211266
 C     0.669938     5.485217    -2.336433
 C    -0.273363     5.156190    -3.327894
 C    -1.036029     3.984631    -3.174464
 C    -0.848775     3.161923    -2.045822
 H    -1.437976     2.251594    -1.975528
 H    -1.777607     3.710009    -3.924303
 H    -0.412565     5.798667    -4.196603
 H     1.264590     6.393767    -2.429596
 H     1.564885     4.964788    -0.457861
 C    -1.160905     3.143423     1.690750
 C    -1.206925     3.036363     3.106072
 C    -2.175744     3.699766     3.886873
 C    -3.152825     4.505398     3.275049
 C    -3.148405     4.618055     1.873603
 H    -3.893207     5.236324     1.372288
 C    -2.178326     3.944616     1.103898
 H    -2.201783     4.088212     0.028658
 H    -0.500741     2.404685     3.631890
 H    -2.162495     3.583418     4.970567
 H    -3.897094     5.028240     3.874027
 P     2.177749    -0.927084    -0.613425
 C     2.912245     0.033237    -2.097762
 C     3.562143    -0.844002     0.714742
 C     2.339991    -2.760872    -1.160466
 H    -2.253960     0.980781     1.368738
 C    -3.067901    -2.719431    -1.827483
 H    -1.478062    -4.612208     1.657619
 C     3.507649    -3.388548    -1.652784
 C     3.503183    -4.747164    -2.018950
 C     2.328982    -5.513128    -1.899216
 C     1.163681    -4.900911    -1.410790
 C     1.177708    -3.540095    -1.050275
 H     4.436620    -2.850608    -1.762490
 H     4.416942    -5.201777    -2.394802
 H     2.324626    -6.563412    -2.180745
 H     0.246425    -5.475802    -1.310622
 H     0.282199    -3.067715    -0.673183
 C     4.168380    -0.198159    -2.705898
 C     4.615137     0.599855    -3.774802
 C     3.818200     1.654970    -4.256896
 C     2.569959     1.895749    -3.660929
 C     2.125258     1.085431    -2.597729
 H     4.823643    -0.989528    -2.370934
 H     5.586000     0.398900    -4.222399
 H     4.166748     2.277163    -5.077796
 H     1.939266     2.709792    -4.006330
 H     1.167328     1.289804    -2.138348
 C     4.918642    -1.167601     0.474220
 C     5.869532    -1.165437     1.509796
 C     5.487065    -0.838598     2.822372
 C     4.150343    -0.492229     3.070705
 C     3.202311    -0.487169     2.027147
 H     5.269670    -1.419836    -0.514115
 H     6.903401    -1.419350     1.286773
 H     6.218445    -0.838619     3.627082
 H     3.837309    -0.210632     4.073033
 H     2.191088    -0.177584     2.287378
 C     3.067701     2.703741     0.384275
 C     4.376926     3.024199     0.785675
 C     4.649324     3.340564     2.128381
 C     3.595253     3.297540     3.055192
 C     2.290460     2.958505     2.642766
 H     2.911254     2.466940    -0.660013
 H     5.176419     3.028518     0.047342
 H     5.656542     3.603197     2.444631
 H     3.780146     3.523898     4.103874
 H     1.529572     2.932897     3.408424

   78
scf done: -1240.641872
 C     1.555742     4.278402     1.597967
 C     2.900257     3.879810     1.506203
 C     3.215429     2.670809     0.854653
 C     2.197999     1.881296     0.292343
 C     0.846893     2.330502     0.280643
 C     0.542323     3.518938     0.982459
 C    -0.159281     1.559170    -0.568847
 C    -1.575953     2.125507    -0.604799
 C    -2.692997     1.374173    -0.187624
 C    -3.984867     1.945768    -0.160057
 C    -4.182871     3.261096    -0.609038
 C    -3.087123     3.997582    -1.103045
 C    -1.799594     3.437440    -1.094315
 P    -2.327595    -0.409509     0.213344
 C    -3.021473    -0.671529     1.983935
 C    -2.224296     0.186901     2.990181
 H    -5.176215     3.700861    -0.589642
 P     2.437344     0.135830    -0.347411
 C     3.468007     0.303768    -1.964816
 C     2.739632     1.207474    -2.983234
 H     3.686858     4.480642     1.954047
Pd     0.054031    -0.531942    -0.189423
 P     0.398486    -3.049855     0.060474
 C     1.724148    -3.807168    -1.056123
 C    -3.414543    -1.468797    -0.974592
 C    -4.941274    -1.308598    -0.797711
 C     3.574384    -0.772936     0.925752
 C     5.082390    -0.439899     0.844913
 C    -1.033987    -4.227162    -0.318928
 C     0.928653    -3.675532     1.765450
 C    -2.985897    -1.199269    -2.434795
 C    -3.043746    -2.158876     2.391594
 C     3.031238    -0.568100     2.359268
 C     3.802059    -1.072481    -2.578730
 H    -4.835207     1.378937     0.207383
 H    -0.960312     4.021065    -1.464287
 H    -3.235468     5.005164    -1.482773
 H     0.219185     1.549748    -1.602753
 H     4.251086     2.347669     0.816472
 H    -0.482493     3.868787     1.037390
 H     1.293847     5.188145     2.132357
 H    -1.417055    -4.039155    -1.326448
 H    -1.841131    -4.091142     0.405521
 H    -0.682202    -5.263527    -0.262489
 H     1.040681    -4.765743     1.751091
 H     0.176592    -3.404269     2.512692
 H     1.880808    -3.223732     2.054474
 H     1.460098    -3.639746    -2.104864
 H     1.795239    -4.885627    -0.874422
 H     2.697577    -3.349743    -0.864643
 H    -3.146861    -2.500126    -0.714906
 H    -4.054253    -0.297072     1.943242
 H    -3.220183    -0.169404    -2.731124
 H    -3.527649    -1.873165    -3.110996
 H    -1.909628    -1.357450    -2.581409
 H    -5.286556    -0.333707    -1.156749
 H    -5.268662    -1.436575     0.241159
 H    -5.451404    -2.073986    -1.397613
 H    -3.640343    -2.776092     1.708554
 H    -3.483701    -2.257727     3.391936
 H    -2.027014    -2.569947     2.439461
 H    -1.175150    -0.132071     3.040106
 H    -2.659342     0.079775     3.992152
 H    -2.244355     1.250438     2.726778
 H     3.453000    -1.831328     0.654511
 H     4.398403     0.802895    -1.658972
 H     3.177417     0.464854     2.692457
 H     3.569315    -1.224767     3.055644
 H     1.960014    -0.792375     2.432350
 H     5.497381    -0.577225    -0.159322
 H     5.629928    -1.111478     1.519750
 H     5.294445     0.583782     1.170500
 H     4.430748    -0.933913    -3.467428
 H     2.888925    -1.590688    -2.896930
 H     4.349363    -1.725811    -1.888015
 H     3.377803     1.350359    -3.864720
 H     2.517854     2.198335    -2.569866
 H     1.802163     0.748736    -3.324516

   99
scf done: -1815.736055
 C     5.585217    -1.661905     1.023234
 C     5.138943    -2.994876     0.997369
 C     3.825345    -3.271637     0.571415
 C     2.975028    -2.228921     0.162636
 C     3.457668    -0.895454     0.066882
 C     4.758550    -0.625146     0.551853
 C     2.599297     0.128450    -0.664342
 C     3.209769     1.520045    -0.797546
 C     2.606293     2.657124    -0.225605
 C     3.241331     3.917239    -0.279816
 C     4.459119     4.065481    -0.963506
 C     5.033097     2.951139    -1.608235
 C     4.418341     1.691776    -1.517755
 P     0.897994     2.359456     0.463969
 C     1.009856     2.812154     2.326930
 C     2.051457     1.918314     3.033125
 H     4.945293     5.036210    -1.008013
 P     1.135081    -2.430597    -0.135059
 C     1.028146    -3.684750    -1.591719
 C     1.671069    -3.078842    -2.858497
 H     5.788036    -3.801465     1.326930
Pd     0.553408     0.019767    -0.072787
 P    -2.073000    -0.099984    -0.031327
 C    -2.527759    -1.008742    -1.624328
 C    -0.252229     3.660048    -0.371256
 C    -0.059126     5.120839     0.095425
 C     0.485177    -3.362624     1.431984
 C     0.776205    -4.880143     1.492139
 C    -3.098504     1.492678    -0.203067
 C    -3.028835    -0.924434     1.369384
 C    -0.131259     3.538321    -1.906767
 C    -0.368007     2.739915     3.017658
 C     1.009632    -2.660433     2.706544
 C    -0.414016    -4.162012    -1.860888
 H     2.795434     4.782095     0.200916
 H     4.879559     0.834540    -2.002160
 H     5.957800     3.062325    -2.168541
 H     2.412649    -0.263824    -1.678018
 H     3.472370    -4.298263     0.586186
 H     5.143218     0.388439     0.539331
 H     6.582461    -1.428964     1.387950
 H    -1.255945     3.338218    -0.076129
 H     1.368737     3.851225     2.345896
 H     0.859143     3.851708    -2.257800
 H    -0.881312     4.181594    -2.383618
 H    -0.304721     2.510191    -2.248602
 H     0.883760     5.545383    -0.265126
 H    -0.100275     5.232318     1.185190
 H    -0.869803     5.731609    -0.323546
 H    -1.112078     3.388621     2.541269
 H    -0.268962     3.056561     4.063934
 H    -0.755148     1.712757     3.017428
 H     1.747269     0.863954     3.016257
 H     2.146229     2.225932     4.082650
 H     3.040999     1.995035     2.568672
 H    -0.602145    -3.228509     1.371694
 H     1.639210    -4.538556    -1.264580
 H     2.078235    -2.854914     2.848731
 H     0.476710    -3.044502     3.586350
 H     0.876317    -1.571768     2.669200
 H     0.442137    -5.418602     0.599831
 H     0.237919    -5.306092     2.349890
 H     1.840235    -5.087324     1.646912
 H    -0.398185    -4.949422    -2.625969
 H    -1.036423    -3.345892    -2.237721
 H    -0.899123    -4.577811    -0.969858
 H     1.664539    -3.823696    -3.664788
 H     2.712942    -2.781420    -2.688582
 H     1.106473    -2.205316    -3.208667
 C    -3.484022     2.006291    -1.458351
 C    -4.232147     3.197348    -1.541717
 C    -4.601288     3.889287    -0.373637
 C    -4.221631     3.378598     0.883466
 C    -3.474583     2.189990     0.968328
 H    -3.232153     1.479531    -2.372971
 H    -4.533181     3.572779    -2.516436
 H    -5.185630     4.803297    -0.439582
 H    -4.514932     3.895098     1.793931
 H    -3.212458     1.800132     1.948026
 C    -3.549965    -1.974875    -1.719684
 C    -3.855935    -2.566332    -2.961208
 C    -3.149622    -2.195145    -4.120544
 C    -2.116479    -1.242005    -4.029563
 C    -1.802635    -0.660558    -2.787859
 H    -4.103529    -2.284653    -0.840034
 H    -4.645598    -3.310886    -3.019626
 H    -3.394790    -2.646112    -5.078416
 H    -1.557863    -0.955326    -4.916895
 H    -0.988663     0.059144    -2.726721
 C    -4.440528    -1.016333     1.349385
 C    -5.129627    -1.595579     2.428650
 C    -4.420754    -2.075541     3.548681
 C    -3.019626    -1.961093     3.586810
 C    -2.328845    -1.388281     2.500664
 H    -5.006159    -0.608747     0.516135
 H    -6.214129    -1.661166     2.401166
 H    -4.956481    -2.517708     4.384581
 H    -2.467489    -2.306216     4.457211
 H    -1.251141    -1.280220     2.550569

   92
scf done: -1477.485694
Pd     0.023220     0.021130     0.665315
 P    -1.077957     2.094987    -0.103774
 P     0.982684    -0.063215     3.084811
 P     1.188101    -1.670196    -0.821936
 C     0.189204     2.561253    -1.428702
 C    -0.083937     3.378961    -2.540249
 C     0.887731     3.587302    -3.539612
 C     2.146924     2.975097    -3.409973
 C     2.436692     2.183284    -2.282416
 C     1.473376     1.964668    -1.267198
 H     3.423161     1.738301    -2.183865
 H     2.905024     3.118225    -4.177578
 H     0.657685     4.203479    -4.405565
 H    -1.063702     3.835612    -2.658656
 C    -0.925759     3.603859     1.115138
 C    -1.593394     3.328698     2.481401
 C    -1.374316     4.955155     0.518810
 H    -1.129211     5.768992     1.216488
 H    -0.869568     5.169161    -0.430520
 H    -2.458757     4.984633     0.352167
 H    -1.318468     2.341936     2.870512
 H    -2.686755     3.366904     2.415876
 H    -1.279887     4.090260     3.210216
 H     0.162360     3.645909     1.272029
 C    -2.773116     2.346293    -0.992529
 C    -2.923841     1.352562    -2.164724
 C    -3.955873     2.209352    -0.007864
 H    -3.940986     1.237822     0.498721
 H    -4.901842     2.277355    -0.562672
 H    -3.958855     2.998434     0.752300
 H    -3.854247     1.567201    -2.709464
 H    -2.985950     0.323382    -1.795503
 H    -2.092605     1.419992    -2.875645
 H    -2.766929     3.370156    -1.392942
 C     1.782202     1.188262     0.005918
 H     1.896848     1.927466     0.813374
 C     3.019526     0.315113    -0.043595
 C     2.941407    -1.040671    -0.468987
 C     4.106238    -1.829630    -0.536295
 C     5.357687    -1.307570    -0.152317
 C     5.443748     0.022882     0.296177
 C     4.285310     0.822302     0.338603
 H     4.358840     1.858171     0.666657
 H     6.401737     0.435792     0.605176
 H     6.245151    -1.934861    -0.192237
 H     4.050373    -2.866396    -0.858911
 C     1.117928    -1.433689    -2.755103
 C     2.083610    -2.346601    -3.540093
 C    -0.319551    -1.502993    -3.312584
 H    -0.713125    -2.527029    -3.313365
 H    -1.002115    -0.872969    -2.734500
 H    -0.327420    -1.147046    -4.352696
 H     1.463535    -0.397160    -2.858226
 H     1.782614    -3.401150    -3.488343
 H     2.080882    -2.058119    -4.601148
 C     1.351713    -3.580953    -0.569677
 C     1.644569    -3.908860     0.910452
 C     0.086607    -4.332706    -1.040385
 H    -0.102881    -4.208866    -2.112341
 H     0.208997    -5.407783    -0.847426
 H    -0.802272    -3.999790    -0.492332
 H     1.765312    -4.994986     1.030644
 H     0.810407    -3.589926     1.547614
 H     2.559764    -3.425301     1.267777
 H     2.200154    -3.913460    -1.183942
 C     2.404963    -1.265722     3.452738
 C     1.801232     1.552296     3.660955
 C    -0.128853    -0.415957     4.581621
 H     2.819387    -1.075201     4.450859
 H     2.034765    -2.293862     3.408227
 H     3.190477    -1.140434     2.701724
 H     2.150400     1.459174     4.696807
 H     1.085280     2.376802     3.594356
 H     2.657864     1.774113     3.016654
Si    -1.921188    -1.236722     1.497077
 C    -3.433372    -1.766591     0.437284
 H    -2.592546    -0.529312     2.644139
 H    -1.464014    -2.526760     2.137403
 C    -4.745582    -1.655687     0.967153
 C    -5.876408    -2.073623     0.237170
 C    -5.724187    -2.618230    -1.052836
 C    -4.432817    -2.733272    -1.602894
 C    -3.309699    -2.307666    -0.866698
 H    -2.325108    -2.388412    -1.319213
 H    -4.300739    -3.147047    -2.601160
 H    -6.594743    -2.943608    -1.618797
 H    -6.868719    -1.976625     0.674168
 H    -4.885237    -1.244242     1.965609
 H     3.114608    -2.260405    -3.177314
 H     0.455414    -0.384873     5.509584
 H    -0.931093     0.326918     4.629863
 H    -0.586949    -1.403610     4.473198

  102
scf done: -1708.503184
Pd    -0.142098     0.042837     0.555893
 P    -0.959657    -2.292830     0.862206
 P     0.366182     1.554275     2.562457
 P    -0.787131     1.451455    -1.579787
 C    -2.704181    -2.053252     0.181331
 C    -3.513673    -3.089030    -0.321384
 C    -4.774844    -2.811552    -0.883777
 C    -5.227480    -1.481095    -0.926776
 C    -4.434443    -0.446475    -0.396471
 C    -3.162289    -0.706046     0.171911
 H    -4.809507     0.572628    -0.420161
 H    -6.196143    -1.247188    -1.364064
 H    -5.382294    -3.617490    -1.288564
 H    -3.162535    -4.117937    -0.307113
 C    -1.363093    -2.701975     2.721607
 C    -0.124013    -2.573262     3.633961
 C    -2.103289    -4.039237     2.936068
 H    -2.409801    -4.127455     3.988360
 H    -3.007795    -4.108419     2.320434
 H    -1.460427    -4.899535     2.710521
 H     0.425661    -1.650758     3.420739
 H     0.570172    -3.411515     3.503362
 H    -0.435198    -2.561591     4.688638
 H    -2.056134    -1.886564     2.975908
 C    -0.413319    -3.980268     0.097478
 C    -0.289425    -3.863986    -1.436745
 C     0.903215    -4.499539     0.717975
 H     1.724611    -3.791166     0.569512
 H     1.185997    -5.441955     0.228601
 H     0.807861    -4.697960     1.791371
 H    -0.025762    -4.844042    -1.858797
 H     0.501959    -3.159398    -1.711233
 H    -1.225238    -3.536314    -1.903258
 H    -1.212495    -4.696367     0.336200
 C    -2.322020     0.385258     0.830477
 H    -2.437724     0.264663     1.918284
 C    -2.719534     1.794565     0.445184
 C    -2.156599     2.427977    -0.696362
 C    -2.596130     3.712123    -1.076767
 C    -3.563025     4.403474    -0.321282
 C    -4.106653     3.797775     0.825994
 C    -3.692121     2.504047     1.192341
 H    -4.137392     2.023377     2.062364
 H    -4.850287     4.321159     1.423193
 H    -3.877926     5.400102    -0.621640
 H    -2.177917     4.199653    -1.953322
 C    -1.850234     0.582742    -2.970024
 C    -2.455228     1.550674    -4.008655
 C    -1.107751    -0.589081    -3.646881
 H    -0.293502    -0.243211    -4.295995
 H    -0.687712    -1.277919    -2.908246
 H    -1.811505    -1.153626    -4.275147
 H    -2.672668     0.157527    -2.382667
 H    -1.685464     1.999612    -4.650149
 H    -3.144905     0.999531    -4.664204
 C     0.150934     2.857001    -2.533897
 C     0.801225     3.850158    -1.546966
 C     1.202736     2.281268    -3.508063
 H     0.749175     1.664363    -4.291921
 H     1.736379     3.105259    -4.002134
 H     1.948579     1.669446    -2.987266
 H     1.346296     4.625522    -2.104218
 H     1.515181     3.343151    -0.889973
 H     0.058916     4.348730    -0.914772
 H    -0.602257     3.392280    -3.127997
 C     0.833786     3.352877     2.197797
 C    -1.071601     1.821307     3.773467
 C     1.717094     1.111565     3.816750
 H     0.963176     3.914913     3.131092
 H     1.768943     3.372733     1.630519
 H     0.044018     3.816911     1.599768
 H    -0.756634     2.482243     4.590391
 H    -1.382923     0.858725     4.193670
 H    -1.918458     2.273821     3.252250
Si     2.269888    -0.572773     0.404412
 C     2.895770    -1.558814    -1.130090
 H     2.603058    -1.508147     1.538383
 C     3.673373     0.736603     0.634917
 C     3.932260    -2.516223    -0.977647
 C     4.462111    -3.213201    -2.080618
 C     3.966787    -2.966674    -3.376708
 C     2.938334    -2.021761    -3.552659
 C     2.412750    -1.334007    -2.440354
 H     1.607035    -0.621638    -2.591092
 H     2.544360    -1.824444    -4.548217
 H     4.375030    -3.501545    -4.231884
 H     5.258467    -3.939956    -1.930542
 H     4.338410    -2.713653     0.013518
 C     3.872352     1.807510    -0.272294
 C     4.608954     0.614032     1.695336
 C     5.677265     1.520135     1.852493
 C     5.843658     2.581559     0.942433
 C     4.936888     2.717864    -0.127122
 H     3.201404     1.922316    -1.119975
 H     5.062324     3.523909    -0.847948
 H     6.668388     3.281789     1.057753
 H     6.378209     1.392180     2.675485
 H     4.514210    -0.213330     2.397537
 H    -3.026254     2.356872    -3.533184
 H     1.722813     1.844645     4.632967
 H     1.531454     0.115240     4.229272
 H     2.690675     1.114402     3.323755

  112
scf done: -1939.520010
Pd    -0.345324     0.027584    -0.472125
 P    -0.773713     2.577308    -0.015662
 P     0.096715    -0.629269    -2.918303
 P    -1.534027    -1.774442     0.965889
 C    -2.579982     2.356139     0.507511
 C    -3.280418     3.241290     1.349383
 C    -4.621062     2.997564     1.704702
 C    -5.270334     1.860991     1.191695
 C    -4.582781     0.985510     0.331806
 C    -3.228707     1.207211    -0.025443
 H    -5.104062     0.121488    -0.070147
 H    -6.306830     1.657211     1.452988
 H    -5.141997     3.680677     2.371376
 H    -2.787479     4.120572     1.754874
 C    -1.113647     3.649255    -1.623044
 C     0.082279     3.719533    -2.595819
 C    -1.684124     5.056013    -1.339974
 H    -1.989826     5.526039    -2.286094
 H    -2.565107     5.018313    -0.689659
 H    -0.935470     5.711942    -0.877588
 H     0.498531     2.727966    -2.800232
 H     0.890297     4.351474    -2.206905
 H    -0.244229     4.158332    -3.550076
 H    -1.905070     3.059330    -2.107082
 C    -0.123074     3.871850     1.270595
 C    -0.099415     3.275190     2.694865
 C     1.270737     4.415704     0.888763
 H     2.022837     3.619935     0.888954
 H     1.583651     5.164112     1.630374
 H     1.278205     4.900582    -0.094679
 H     0.195847     4.053999     3.412653
 H     0.628154     2.461937     2.770495
 H    -1.078209     2.889508     3.001398
 H    -0.835922     4.707359     1.245587
 C    -2.495154     0.301118    -1.006334
 H    -2.434222     0.833934    -1.964717
 C    -3.152790    -1.043942    -1.215640
 C    -2.881589    -2.120193    -0.327304
 C    -3.553531    -3.348081    -0.482162
 C    -4.468942    -3.545369    -1.535548
 C    -4.722846    -2.496472    -2.437562
 C    -4.076932    -1.257313    -2.266553
 H    -4.305567    -0.434900    -2.943039
 H    -5.422366    -2.636834    -3.258859
 H    -4.965392    -4.505813    -1.652079
 H    -3.354197    -4.174629     0.194674
 C    -2.644421    -1.244413     2.485191
 C    -3.495501    -2.389377     3.073445
 C    -1.851860    -0.493964     3.576087
 H    -1.158962    -1.152805     4.114163
 H    -1.277421     0.336281     3.153111
 H    -2.552678    -0.078862     4.314646
 H    -3.323996    -0.522539     2.020638
 H    -2.881022    -3.137466     3.590313
 H    -4.198947    -1.978182     3.811849
 C    -0.961157    -3.565838     1.422939
 C    -0.300871    -4.256865     0.211510
 C    -0.016078    -3.577897     2.643534
 H    -0.484445    -3.154572     3.539398
 H     0.266712    -4.614576     2.874065
 H     0.907216    -3.028240     2.437012
 H    -0.015843    -5.283563     0.481946
 H     0.607725    -3.728009    -0.089829
 H    -0.974172    -4.308993    -0.651177
 H    -1.872635    -4.116224     1.693505
 C    -0.228143    -2.462195    -3.284970
 C    -1.071055     0.142202    -4.205722
 C     1.731759    -0.360049    -3.843251
 H    -0.106025    -2.670484    -4.355396
 H     0.463387    -3.084271    -2.710843
 H    -1.250204    -2.707184    -2.981359
 H    -0.793433    -0.197910    -5.210963
 H    -1.005123     1.234030    -4.166997
 H    -2.100471    -0.162936    -4.001595
Si     2.091976    -0.241522     0.180936
 C     2.489973     0.428358     1.948007
 C     3.352013     0.708896    -0.939206
 C     2.859676    -2.022812     0.217490
 C     3.549657     1.340018     2.190436
 C     3.866144     1.777957     3.492483
 C     3.131401     1.309269     4.598159
 C     2.074891     0.402290     4.384426
 C     1.763231    -0.021852     3.078834
 H     0.934939    -0.709259     2.937533
 H     1.494276     0.031901     5.227502
 H     3.376246     1.643061     5.604441
 H     4.687144     2.477195     3.640445
 H     4.143566     1.707332     1.357248
 C     2.940564    -2.814656    -0.958353
 C     3.438524    -2.574120     1.389473
 C     4.052229    -3.843289     1.392100
 C     4.113553    -4.606009     0.211286
 C     3.050344     2.000724    -1.434039
 C     3.966682     2.739723    -2.206802
 C     5.230068     2.196613    -2.510841
 C     5.560205     0.916011    -2.026458
 C     4.634850     0.188656    -1.251322
 H     4.919774    -0.793520    -0.883415
 H     6.535326     0.485206    -2.246308
 H     5.943162     2.759712    -3.109619
 H     3.697297     3.730423    -2.569668
 H     2.078313     2.429374    -1.216096
 C     3.555697    -4.080428    -0.970649
 H     2.530789    -2.437732    -1.891994
 H     3.602401    -4.650555    -1.896838
 H     4.591239    -5.583562     0.208645
 H     4.487937    -4.227233     2.312718
 H     3.431026    -2.000319     2.312196
 H    -4.087356    -2.896689     2.302299
 H     1.673705    -0.814625    -4.840298
 H     1.921421     0.712712    -3.943367
 H     2.569787    -0.788695    -3.290718

  113
scf done: -2052.562191
Pd    -0.426572    -0.034739     0.008700
 C     0.222237     1.987354     0.568974
 P    -1.499319     0.124086     2.296138
 P     2.211481    -0.883424     0.117177
Si    -1.013671    -2.357772    -0.595577
 H    -0.185365    -2.831408    -1.758322
 H    -0.604126    -3.302849     0.496547
 C    -2.755928    -3.028390    -1.054421
 C    -3.882802    -2.215280    -1.288752
 C    -5.137173    -2.761586    -1.629905
 C    -5.292835    -4.154661    -1.745766
 C    -4.182629    -4.991064    -1.518651
 C    -2.936471    -4.431307    -1.178114
 H    -2.091943    -5.096271    -1.002851
 H    -4.287327    -6.071198    -1.604918
 H    -6.258872    -4.582264    -2.007031
 H    -5.986128    -2.101785    -1.801821
 H    -3.778948    -1.142212    -1.210405
 C     3.318944    -0.577567    -1.398694
 C     3.005823     0.424863    -2.329170
 C     3.856540     0.677590    -3.426116
 C     5.034305    -0.068836    -3.588087
 C     5.364713    -1.066099    -2.649953
 C     4.515557    -1.314319    -1.560041
 H     4.769667    -2.085668    -0.845184
 H     6.274006    -1.641029    -2.766201
 H     5.690402     0.125764    -4.426316
 H     3.604524     1.456905    -4.132867
 H     2.121803     1.021120    -2.182130
 C     3.253823     0.066487     1.418338
 C     4.203689     1.030641     0.997337
 C     4.916755     1.810319     1.926524
 C     4.706085     1.646380     3.304873
 C     3.760759     0.705763     3.739705
 C     3.037153    -0.060988     2.807298
 H     2.294400    -0.743072     3.180415
 H     3.577251     0.572554     4.797948
 H     5.258910     2.240619     4.020105
 H     5.635270     2.537538     1.571643
 H     4.394285     1.177361    -0.053399
 C     2.587077    -2.728299     0.383896
 C     2.466645    -3.572190    -0.745322
 C     2.650878    -4.960879    -0.632589
 C     2.952426    -5.538549     0.613470
 C     3.067823    -4.710955     1.742288
 C     2.878920    -3.318861     1.629123
 H     2.996773    -2.712889     2.515653
 H     3.304546    -5.142208     2.712685
 H     3.089846    -6.613773     0.702576
 H     2.550887    -5.588140    -1.515421
 H     2.232634    -3.147839    -1.716281
 P    -1.272518     1.294568    -1.940251
 C     0.131023     2.558384    -1.918744
 C     0.748647     2.721938    -0.649311
 C     1.876640     3.571341    -0.566951
 C     2.368991     4.251638    -1.696051
 C     1.726668     4.106744    -2.937437
 C     0.605472     3.260275    -3.042152
 H     0.129360     3.135218    -4.005853
 H     2.096790     4.627826    -3.810491
 H     3.241712     4.885701    -1.606322
 H     2.369780     3.691959     0.389595
 H     1.055856     1.781227     1.249666
 C    -2.770532     2.511046    -1.671846
 C    -2.968168     3.495240    -2.840135
 C    -4.087914     1.818370    -1.298888
 H    -4.826861     2.573211    -1.011046
 H    -4.503051     1.247107    -2.131605
 H    -3.941250     1.153073    -0.453618
 H    -3.322365     2.991231    -3.742731
 H    -3.722841     4.238491    -2.563769
 H    -2.047432     4.032232    -3.076025
 H    -2.433411     3.072891    -0.797571
 C    -1.451060     0.770521    -3.794019
 C    -2.733197    -0.058407    -4.014798
 C    -0.217121    -0.007252    -4.287076
 H    -1.538866     1.697436    -4.370248
 H    -3.636939     0.513304    -3.799034
 H    -2.782964    -0.375005    -5.060966
 H    -2.742753    -0.957168    -3.397671
 H    -0.395010    -0.354184    -5.309751
 H    -0.026488    -0.881649    -3.661987
 H     0.678460     0.612229    -4.299666
 C    -0.345716    -0.171031     3.833869
 C     0.105296    -1.641700     3.965605
 H     0.368564    -2.088281     3.005483
 H    -0.675814    -2.251215     4.419950
 H     0.972449    -1.704951     4.631077
 H     0.522045     0.435727     3.563796
 C    -0.898874     0.354383     5.173098
 H    -1.161313     1.410990     5.118046
 H    -0.139836     0.240888     5.954692
 H    -1.779308    -0.209616     5.493153
 C    -3.232496    -0.495418     2.914831
 C    -3.314884    -2.038425     2.924769
 C    -4.394105     0.053871     2.062672
 H    -3.082565    -2.447132     1.940299
 H    -2.645952    -2.494435     3.652006
 H    -4.335284    -2.343956     3.175340
 H    -3.338439    -0.123437     3.939640
 H    -4.386282    -0.401545     1.072711
 H    -5.343617    -0.215175     2.536051
 H    -4.364174     1.137126     1.953828
 C    -0.846243     2.716392     1.372547
 C    -1.656248     2.009796     2.309738
 C    -2.545507     2.710000     3.148175
 C    -2.696859     4.104580     3.044478
 C    -1.936760     4.805945     2.093746
 C    -1.018460     4.119919     1.279482
 H    -0.418650     4.676978     0.573336
 H    -2.045435     5.878571     1.994468
 H    -3.400133     4.623915     3.681667
 H    -3.146851     2.173222     3.869979

  123
scf done: -2283.586070
Pd    -0.452521    -0.164736    -0.056686
 P    -1.167335    -0.683784     2.391712
 P    -1.961453    -0.798632    -1.999829
 P     2.282981    -0.058692    -0.728158
Si    -0.703439     2.305679    -0.354562
 C    -2.432309     3.161445    -0.259161
 C    -3.428004     1.211028    -3.481848
 C    -4.516322     3.749366     0.925227
 C    -4.900888     4.609788    -0.121730
 C    -4.056704     4.749738    -1.239290
 C    -2.842224     4.036898    -1.299946
 H    -2.201086     4.161228    -2.171068
 H    -4.339107     5.411600    -2.056237
 H    -5.837841     5.160425    -0.066392
 H    -5.157870     3.634008     1.797188
 H    -3.029030     2.381127     1.666807
 C     0.371880     3.538075     0.686233
 C     0.276574     4.934220     0.440829
 C     1.047084     5.866294     1.161249
 C     1.940117     5.426788     2.159909
 C     2.050626     4.049524     2.423058
 C     1.273324     3.126477     1.691719
 H     1.385451     2.067038     1.894908
 H     2.739148     3.691772     3.186430
 H     2.536202     6.144908     2.719593
 H     0.949561     6.929512     0.948544
 H    -0.413858     5.301264    -0.314676
 C     3.504118     0.274799     0.683926
 C     3.125441    -0.037395     2.002496
 C     4.022431     0.155706     3.072104
 C     5.308746     0.670111     2.831127
 C     5.696221     0.985325     1.511914
 C     4.801119     0.785769     0.445845
 H     5.111087     1.031554    -0.566338
 H     6.690509     1.382128     1.314313
 H     6.001098     0.825762     3.656931
 H     3.713786    -0.093852     4.085342
 H     2.136339    -0.442959     2.192584
 C    -2.950184    -1.465495     2.573419
 C    -3.189550    -2.194940     3.911383
 C    -4.093749    -0.480959     2.263500
 H    -5.033640    -1.041043     2.146954
 H    -4.246015     0.243090     3.073860
 H    -4.071269    -0.835747    -3.272797
 H    -4.134038    -2.756252     3.851525
 H    -3.283085    -1.491851     4.750597
 H    -2.392673    -2.913100     4.139848
 H    -2.931102    -2.216455     1.774773
 C    -0.296923    -2.364187     0.020956
 H     0.417963    -2.567459    -0.789170
 C    -1.611444    -3.049820    -0.342724
 C    -2.477188    -2.487587    -1.322630
 C    -1.985806    -4.292390     0.230921
 C    -3.167690    -4.954292    -0.146888
 C    -4.006847    -4.393987    -1.127643
 C    -3.649131    -3.164914    -1.713764
 H    -4.313976    -2.728608    -2.456386
 H    -4.926867    -4.894013    -1.424756
 H    -3.428060    -5.903115     0.320634
 H    -1.340380    -4.745297     0.979370
 C     0.292997    -2.835490     1.331863
 C    -0.108615    -2.247795     2.562106
 C     0.327721    -2.795887     3.784559
 C     1.224323    -3.882907     3.808762
 C     1.684599    -4.426488     2.595075
 C     1.209827    -3.913352     1.373276
 H     1.541871    -4.356983     0.435571
 H     2.394133    -5.252687     2.598233
 H     1.566542    -4.285718     4.760520
 H    -0.009624    -2.374162     4.729223
 C    -0.917031     0.196300     4.114127
 C    -1.747379     1.495635     4.209569
 C     0.554740     0.513778     4.449238
 H     1.201777    -0.366923     4.398525
 H     0.608086     0.913396     5.473249
 H     0.953515     1.279418     3.779612
 H    -1.587826     1.956280     5.195624
 H    -1.429036     2.222488     3.452124
 H    -2.823168     1.323592     4.096336
 C     3.923966    -2.468113    -0.650439
 C    -3.636372    -0.058951    -2.627922
 C    -4.610072     0.210559    -1.465187
 H    -4.768670    -0.681127    -0.847786
 H    -4.244663     1.022942    -0.827399
 H    -5.584276     0.519322    -1.872464
 H    -4.408685     1.637291    -3.739325
 H    -2.871576     1.977821    -2.934913
 C    -1.080491    -1.321070    -3.653119
 C    -0.261416    -0.163171    -4.264214
 H     0.304409     0.387215    -3.504144
 H     0.449004    -0.554215    -5.009019
 H    -0.906008     0.557418    -4.781483
 H    -0.383845    -2.088260    -3.289079
 C    -1.997505    -1.986454    -4.701492
 H    -2.727482    -1.278984    -5.116919
 H    -1.387220    -2.352264    -5.541238
 H    -2.537519    -2.845353    -4.285633
 H    -0.325648     2.668850    -1.768651
 H    -1.295452    -0.520140     4.857031
 H    -3.910951     0.070573     1.339416
 C     3.317885     0.851756    -3.324192
 C     3.738315     1.842039    -4.233691
 C     3.779600     3.193103    -3.846208
 C     3.402827     3.543745    -2.536573
 C     2.981718     2.555732    -1.628816
 H     2.696674     2.854426    -0.626119
 H     3.428478     4.582227    -2.216314
 H     4.103352     3.957611    -4.548721
 H     4.036789     1.551991    -5.238754
 H     3.329916    -0.180710    -3.646682
 C     2.961281    -1.726708    -1.372093
 C     2.448598    -2.292914    -2.562900
 C     2.897095    -3.541008    -3.032245
 C     3.866111    -4.262419    -2.309702
 C     4.372280    -3.720197    -1.114327
 H     4.331163    -2.078215     0.276872
 H     5.116814    -4.266849    -0.537913
 H     4.214111    -5.229459    -2.668360
 H     2.485460    -3.948586    -3.954220
 H     1.683631    -1.771814    -3.124842
 C     2.933415     1.195722    -2.010789
 H    -2.901709     0.998800    -4.419610
 C    -3.303195     3.037522     0.848545

  133
scf done: -2514.564239
 C     3.166152     0.812654     0.672050
 C     3.039884     0.168143     1.930595
 C     3.797461     0.614644     3.031719
 C     4.667363     1.714807     2.912507
 C     4.796956     2.363478     1.670398
 C     4.062232     1.904174     0.563305
 P     1.807851    -1.271219     1.968665
 C     3.085501    -2.741897     1.657393
 C     4.128265    -2.926730     2.783799
 C     2.460230     0.272272    -0.557667
 C     3.285668    -0.801500    -1.280460
 C     2.673389    -1.666979    -2.225947
 C     3.448568    -2.584525    -2.961691
 C     4.835799    -2.693103    -2.756646
 C     5.452548    -1.854624    -1.812477
 C     4.686859    -0.917557    -1.096881
 P     0.799986    -1.478200    -2.412163
 C     0.813780    -0.134979    -3.834643
 C     1.602292    -0.528544    -5.101362
Pd     0.365993    -0.350175    -0.097538
Si    -2.054928    -1.186573     0.506335
 C    -3.422356    -1.011174    -0.886467
 C    -4.748494    -0.588833    -0.602362
 C    -5.753446    -0.546884    -1.586465
 C    -5.466235    -0.926262    -2.911260
 C    -4.154412    -1.317197    -3.230061
 C    -3.157790    -1.345804    -2.233427
 P    -0.340260     2.361478    -0.341500
 C    -2.083541     2.771787    -1.006277
 C    -3.168040     2.659874    -0.104838
 C    -4.480118     2.941830    -0.521410
 C    -4.739406     3.335934    -1.847865
 C    -3.674135     3.401663    -2.760586
 C    -2.360161     3.105168    -2.348062
 C     0.297564    -3.122839    -3.316538
 C     0.606237    -4.373981    -2.466610
 C    -0.281249     3.435623     1.219888
 C    -1.054189     4.600459     1.393255
 C    -0.899620     5.387143     2.550673
 C     0.036520     5.026842     3.537549
 C     0.820485     3.870720     3.358888
 C     0.661727     3.079308     2.205387
 C     0.875027     3.422047    -1.366024
 C     1.759118     4.284289    -0.682948
 C     2.653767     5.098662    -1.403051
 C     2.689358     5.053029    -2.810836
 C     1.828926     4.171309    -3.490829
 C     0.927215     3.361528    -2.772724
 C    -2.845435    -0.310429     2.068745
 C    -2.450710     1.010360     2.387101
 C    -2.987153     1.725706     3.476694
 C    -3.955503     1.126284     4.300670
 C    -4.373827    -0.187274     4.011562
 C    -3.829630    -0.884723     2.916586
 C    -2.117936    -3.093730     0.962076
 C    -3.149344    -3.984833     0.561844
 C    -3.156257    -5.341802     0.931886
 C    -2.121900    -5.866958     1.729149
 C    -1.087524    -5.012094     2.144218
 C    -1.093334    -3.654634     1.762300
 C     1.421563    -1.492165     3.859678
 C     0.481166    -2.699036     4.070015
 C     0.864946    -0.223617     4.535493
 C     2.459215    -4.099178     1.283253
 C    -1.186863    -3.133369    -3.739482
 C    -0.597796     0.366798    -4.189901
 H    -4.194747    -1.890444     2.741756
 H    -5.124623    -0.670372     4.634472
 H    -4.376661     1.667059     5.145651
 H    -2.649003     2.741741     3.670878
 H    -1.713303     1.497521     1.758901
 H    -3.970488    -3.641801    -0.056479
 H    -3.968324    -5.984627     0.596959
 H    -2.124450    -6.915874     2.018127
 H    -0.280176    -5.399585     2.761944
 H    -0.289181    -3.005347     2.096808
 H    -5.025426    -0.279300     0.400365
 H    -6.755771    -0.220343    -1.314816
 H    -6.241135    -0.903399    -3.674768
 H    -3.899845    -1.592364    -4.252628
 H    -2.156239    -1.622578    -2.556309
 H     1.262358     2.182959     2.084777
 H     1.553314     3.582559     4.107084
 H     0.155658     5.638343     4.427353
 H    -1.504639     6.281406     2.671451
 H    -1.757998     4.911555     0.630627
 H     0.309020     2.667311    -3.327820
 H     1.852417     4.106456    -4.575246
 H     3.376151     5.685585    -3.365172
 H     3.312308     5.769320    -0.857958
 H     1.739999     4.355839     0.399805
 H    -3.008299     2.338236     0.918315
 H    -5.293532     2.840936     0.192629
 H    -5.753578     3.562344    -2.168012
 H    -3.856013     3.668624    -3.799151
 H    -1.581512     3.123097    -3.101485
 H    -0.055579     0.115845     4.064767
 H     1.582241     0.603617     4.528404
 H     0.626941    -0.452512     5.582877
 H     2.392586    -1.721600     4.316614
 H    -0.430088    -2.614125     3.469236
 H     0.962953    -3.648644     3.813301
 H     0.177621    -2.751863     5.123341
 H     3.255324    -4.760427     0.915072
 H     1.986413    -4.591623     2.140300
 H     1.720353    -4.007216     0.487664
 H     4.893389    -3.634544     2.436942
 H     3.683133    -3.354572     3.690321
 H     4.641489    -1.997635     3.045791
 H     3.614344    -2.372224     0.774415
 H     0.476217    -5.269546    -3.089146
 H     1.627460    -4.385580    -2.073722
 H    -0.090291    -4.454538    -1.629826
 H     0.919070    -3.147916    -4.221832
 H    -1.429714    -4.113588    -4.170418
 H    -1.852398    -2.974637    -2.885141
 H    -1.420187    -2.375975    -4.493548
 H     1.077020    -1.298225    -5.681132
 H     2.607581    -0.891306    -4.869717
 H     1.709495     0.350580    -5.751260
 H    -1.132871    -0.357262    -4.815301
 H    -1.202614     0.498363    -3.282085
 H     1.350948     0.681982    -3.334530
 H    -0.543088     1.307083    -4.752923
 H     2.983373    -3.230698    -3.698406
 H     5.415869    -3.416940    -3.321574
 H     6.522244    -1.923226    -1.632646
 H     5.188061    -0.268926    -0.387795
 H     2.296907     1.088380    -1.274912
 H     3.706169     0.124616     3.995813
 H     5.233907     2.054634     3.774759
 H     5.469428     3.210161     1.561409
 H     4.188732     2.383586    -0.403612
