  130
scf done: -2250.785894
Pd     3.782800    -0.200187    -0.256172
 P     4.026958     1.407714    -2.076560
 P     4.090199    -1.009851     1.941575
 C     2.559016     1.337554     0.638793
 I     4.962089    -2.438263    -1.442177
 C     5.811178    -0.681159     2.733384
 H     5.671573    -0.873930     3.807701
 C     6.216618     0.796881     2.550489
 H     5.461461     1.484439     2.948748
 H     6.369166     1.033918     1.491427
 H     7.160582     0.984778     3.080369
 C     6.888091    -1.637611     2.176198
 H     7.856604    -1.404763     2.639792
 H     6.990430    -1.528434     1.090616
 H     6.663411    -2.691010     2.381565
 C     3.702958    -2.852073     2.328847
 H     4.382629    -3.372420     1.641145
 C     2.257122    -3.178261     1.908239
 H     2.094186    -2.943585     0.850759
 C     2.684636    -0.051193     4.277140
 H     1.534846    -2.618426     2.515763
 H     2.063453    -4.250070     2.050888
 C     3.988351    -3.323268     3.772677
 H     3.250192    -2.929142     4.481093
 H     3.917277    -4.419259     3.807117
 H     4.990639    -3.051618     4.124174
 C     5.820961     1.635020    -2.752956
 H     5.825726     2.634763    -3.214598
 C     6.165718     0.584616    -3.832362
 H     5.478167     0.609397    -4.687074
 H     6.153587    -0.426403    -3.412092
 H     7.175641     0.783969    -4.216965
 C     6.848500     1.603411    -1.602743
 H     6.640815     2.365765    -0.842958
 H     6.851737     0.618288    -1.121712
 H     7.854379     1.787914    -2.004608
 C     2.968265     1.641183    -3.694576
 H     3.718309     1.832994    -4.473787
 C     1.994385     2.838490    -3.663845
 H     1.489276     2.912572    -4.637253
 H     2.506288     3.788955    -3.477264
 H     1.218168     2.720511    -2.899452
 C     2.241830     0.318001    -4.032969
 H     1.772090     0.394241    -5.023461
 H     1.451405     0.102463    -3.302746
 H     2.926101    -0.538195    -4.038317
 C     2.922099     0.096344     2.893011
 C     2.267483     1.102617     2.137631
 C     1.318196     1.904805     2.825823
 H     0.772387     2.665260     2.279954
 C     1.055275     1.736495     4.194531
 H     0.315403     2.368367     4.680838
 C     1.751985     0.764700     4.936347
 H     1.567070     0.640004     6.000370
 H     3.224181    -0.803798     4.844258
 C     1.192833     1.310565    -0.219442
 H     1.552957     1.294799    -1.259680
 C     3.280604     2.667711     0.341065
 C     3.816368     2.914223    -0.961055
 C     4.317411     4.182960    -1.305095
 C     4.369929     5.223691    -0.358986
 C     3.925531     4.970665     0.949544
 C     3.382765     3.717011     1.286766
 H     3.033830     3.560874     2.300772
 H     3.990730     5.747310     1.708478
 H     4.775733     6.194484    -0.631772
 H     4.710759     4.359579    -2.303869
 C     0.365078     0.049880    -0.053054
 C     0.322633     2.551157    -0.115809
 H     0.817456     3.507358    -0.276287
 H     0.922813    -0.883171    -0.094499
 C    -0.989985     0.042507     0.062781
 C    -1.793245     1.275150     0.214399
 C    -1.020529     2.523346     0.079688
 H    -1.569534     3.460306     0.062453
 C    -3.167787     1.213781     0.427758
 C    -3.967079     2.375233     0.905183
 C    -5.355020     2.474820     0.589982
 C    -6.118173     3.576390     1.016269
 C    -5.543881     4.583395     1.814591
 C    -4.197086     4.460157     2.206975
 C    -3.425342     3.374111     1.765108
 H    -2.404086     3.273174     2.116522
 H    -3.753031     5.201199     2.868184
 H    -6.144124     5.424390     2.152375
 H    -7.172435     3.643612     0.759785
 P    -2.055023    -1.509555     0.074036
Pd    -4.201216    -0.504744    -0.046412
 P    -6.073383     0.973072    -0.273740
 I    -5.525091    -2.819056    -0.847462
 C    -7.735101     0.663962     0.638474
 H    -8.223248     1.646341     0.717173
 C    -8.656712    -0.297359    -0.143684
 H    -8.178547    -1.272870    -0.283962
 H    -9.584581    -0.449029     0.425161
 H    -8.933056     0.094666    -1.130324
 C    -6.528418     1.493449    -2.065205
 C    -5.237817     1.808139    -2.853079
 H    -4.537596     0.965593    -2.824630
 H    -4.727924     2.689390    -2.442164
 H    -5.485768     2.017655    -3.902552
 C    -7.535707     2.661255    -2.142258
 H    -7.102619     3.583210    -1.735103
 H    -7.792212     2.853105    -3.193310
 H    -8.469942     2.449108    -1.608058
 C    -7.444349     0.134102     2.060570
 H    -6.954757    -0.845939     2.012320
 H    -6.800744     0.815825     2.630236
 H    -8.388002     0.018260     2.611160
 C    -1.568723    -2.503766     1.635648
 H    -0.484225    -2.655614     1.565908
 C    -1.875780    -1.675464     2.901722
 H    -1.561270    -2.235847     3.793139
 H    -1.347897    -0.714317     2.900402
 H    -2.951494    -1.477097     2.985307
 C    -2.280018    -3.875091     1.664057
 H    -1.996690    -4.413259     2.579338
 H    -3.369600    -3.756817     1.658384
 H    -6.983426     0.587560    -2.488316
 C    -1.591557    -2.590987    -1.444179
 H    -2.359693    -3.375438    -1.409016
 C    -1.801231    -1.780503    -2.741701
 H    -1.107568    -0.931323    -2.799930
 H    -2.827502    -1.402773    -2.808948
 H    -1.619524    -2.427639    -3.610286
 C    -0.193075    -3.244942    -1.400166
 H    -0.009104    -3.793526    -0.468856
 H     0.610359    -2.511732    -1.535929
 H    -0.111758    -3.966356    -2.224917
 H    -2.010096    -4.505164     0.807950
  130
scf done: -2250.769123
 C    -6.504565     2.938936    -0.215188
 C    -5.144848     2.543000    -0.373098
 C    -4.243832     3.516065    -0.896617
 C    -4.653831     4.834257    -1.148796
 C    -5.982300     5.228211    -0.894610
 C    -6.905054     4.267314    -0.440585
 C    -4.731525     1.143955    -0.080733
 C    -3.426699     0.800089     0.264217
 C    -2.979018    -0.606621     0.223070
 C    -1.680873    -0.970150     0.397014
 C    -0.561663     0.010605     0.682607
 C    -1.113675     1.383522     0.989959
 C    -2.401866     1.744303     0.750285
 P    -4.369513    -1.805310    -0.174151
 C    -3.861938    -2.642745    -1.820844
 C    -4.797039    -3.822047    -2.168257
 P    -7.699124     1.550877     0.189606
 C    -9.118164     1.851080    -1.077246
 C    -8.613055     1.487867    -2.491746
Pd    -6.204573    -0.302361    -0.104061
 I    -8.130067    -2.314697    -0.082570
 C    -4.402762    -3.173161     1.171112
 C    -3.178795    -4.116471     1.190870
 C    -8.418772     1.966759     1.929043
 C    -7.308772     2.497050     2.863948
 C    -9.115908     0.737554     2.557261
 C   -10.416447     1.091825    -0.731032
 C    -4.643035    -2.528586     2.554218
 C    -3.839052    -1.587961    -2.949091
 H    -7.941708     4.560661    -0.287722
 H    -6.300935     6.250967    -1.079404
 H    -3.941748     5.550424    -1.552796
 H    -3.227043     3.224205    -1.135805
 H    -6.516930     1.748304     2.996641
 H    -6.848980     3.416152     2.485123
 H    -7.738144     2.710450     3.852294
 H    -9.159438     2.764130     1.761300
 H    -9.544596     1.021441     3.528573
 H    -9.918766     0.334345     1.933802
 H    -8.398164    -0.074133     2.721317
 H    -9.316613     2.932491    -1.035073
 H   -10.857376     1.431417     0.213721
 H   -11.155874     1.270165    -1.524026
 H   -10.239085     0.012437    -0.669043
 H    -9.388337     1.728166    -3.232030
 H    -8.397605     0.414826    -2.558269
 H    -7.704982     2.041784    -2.759201
 H    -5.298090    -3.749394     0.900940
 H    -3.801895    -1.886811     2.847269
 H    -4.751487    -3.315628     3.312656
 H    -5.558438    -1.926639     2.556236
 H    -2.280387    -3.602715     1.552884
 H    -3.380328    -4.946659     1.882053
 H    -2.960530    -4.554015     0.208949
 H    -2.839028    -3.016306    -1.663326
 H    -3.164644    -0.754375    -2.718861
 H    -4.842520    -1.177521    -3.116195
 H    -3.499527    -2.054789    -3.883707
 H    -4.758793    -4.621506    -1.418635
 H    -4.497119    -4.252154    -3.133643
 H    -5.838463    -3.489995    -2.248086
 H    -2.723795     2.748702     1.010580
 H    -0.435569     2.104909     1.442607
 H    -1.389849    -2.013791     0.312909
 H     0.024864    -0.352333     1.542992
 C     0.498783     0.042453    -0.537846
 C     1.045446    -1.333837    -0.840886
 H    -0.086691     0.404751    -1.398958
 C     1.622769     1.017853    -0.252320
 C     2.333173    -1.699775    -0.607015
 C     2.918068     0.647882    -0.077124
 C     3.366483    -0.756454    -0.138484
 H     0.362800    -2.054275    -1.287995
 H     1.337813     2.065861    -0.173869
 H     2.647985    -2.706245    -0.867338
 C     4.688925    -1.093682     0.140287
 P     4.307167     1.858541     0.307908
 C     5.127236    -2.494173     0.381314
 C     6.472927    -2.886365     0.114307
 C     6.873646    -4.229079     0.238917
 C     5.978358    -5.202797     0.720305
 C     4.679217    -4.811748     1.099891
 C     4.261127    -3.482592     0.933436
 P     7.624913    -1.474522    -0.312923
 H     7.886441    -4.523980    -0.021342
 H     6.298481    -6.235979     0.828475
 H     3.994355    -5.541009     1.526905
 H     3.265465    -3.195884     1.254483
Pd     6.147696     0.363220     0.053007
 C     3.902076     2.591340     2.043004
 C     4.010631     3.264258    -0.973613
 C     4.761446     4.571443    -0.644126
 C     4.374567     2.744062    -2.382582
 H     2.927894     3.455813    -0.933702
 C     5.134057     3.309728     2.642530
 H     3.092002     3.319032     1.878663
 C     3.405602     1.488152     3.003621
 C     8.296092    -1.874314    -2.064593
 C     9.123641    -1.538804     0.885706
 H     9.663279    -0.618204     0.625010
 C     8.629410    -1.406133     2.342846
 C    10.067406    -2.749286     0.713153
 C     9.421307    -0.901448    -2.480349
 H     8.698771    -2.896723    -2.001595
 C     7.132522    -1.860895    -3.080021
 I     8.169295     2.271460    -0.100392
 H     7.503824    -2.160269    -4.069471
 H     6.330155    -2.551572    -2.794021
 H     6.704242    -0.854837    -3.167032
 H     9.759565    -1.148891    -3.495978
 H     9.066278     0.135370    -2.477581
 H    10.291591    -0.956232    -1.815323
 H     4.124394     3.507676    -3.131808
 H     5.449130     2.537953    -2.450051
 H     3.827173     1.827862    -2.635239
 H     4.580303     5.298570    -1.447870
 H     4.417072     5.023540     0.293586
 H     5.841758     4.401348    -0.578544
 H    10.977502    -2.579772     1.304899
 H     9.607745    -3.673604     1.082440
 H    10.377039    -2.903303    -0.327452
 H     9.492763    -1.344437     3.019076
 H     8.030145    -0.498515     2.475127
 H     8.024548    -2.271936     2.642270
 H     4.863106     3.743123     3.615441
 H     5.956213     2.601743     2.798220
 H     5.516720     4.112263     2.005959
 H     3.193470     1.930916     3.986321
 H     2.492770     1.002741     2.642297
 H     4.172837     0.715470     3.141101
   65
scf done: -1125.396903
Pd    -0.047428    -0.336933    -0.021538
 P     2.314178    -0.111216    -0.242191
 P    -2.408665    -0.031872     0.252013
 C    -0.015497     1.711373    -0.025248
 I    -0.012672    -3.123864    -0.015889
 C     1.234436     2.397589     0.305717
 C     2.485282     1.702763     0.183669
 C     3.706161     2.359810     0.402858
 C     3.735091     3.703391     0.828783
 C     2.515566     4.377781     1.050342
 C     1.293030     3.745105     0.790881
 H     0.369476     4.277140     0.993148
 H     2.521079     5.398067     1.427987
 H     4.684022     4.202265     1.007824
 H     4.644528     1.833033     0.253272
 C    -1.240699     2.425462    -0.389895
 C    -1.255048     3.752748    -0.930795
 C    -2.454871     4.395813    -1.261877
 C    -3.694353     3.750346    -1.067033
 C    -3.706489     2.427687    -0.579017
 C    -2.508874     1.765863    -0.271768
 H    -4.660794     1.919098    -0.457630
 H    -4.625503     4.254142    -1.313199
 H    -2.426501     5.398750    -1.682504
 H    -0.314929     4.257147    -1.126741
 C    -3.181593    -0.127689     2.015115
 C    -2.764100    -1.436203     2.726011
 C    -2.774311     1.101886     2.856756
 H    -1.683070     1.157021     2.963408
 H    -3.121474     2.041954     2.414576
 H    -3.207327     1.014285     3.862547
 H    -4.272451    -0.119097     1.866410
 H    -3.252454    -1.488497     3.709008
 H    -3.030742    -2.334556     2.161946
 H    -1.678893    -1.462049     2.878093
 C    -3.652360    -0.892521    -0.937133
 C    -4.042252    -2.316526    -0.486624
 C    -3.067761    -0.893992    -2.367384
 H    -4.551028    -0.257457    -0.917949
 H    -4.562875    -2.319806     0.478529
 H    -4.723385    -2.751704    -1.231064
 H    -3.161141    -2.963906    -0.413881
 H    -3.809627    -1.301689    -3.067644
 H    -2.171573    -1.523839    -2.414154
 H    -2.801718     0.115486    -2.703764
 C     3.326479    -1.135174     1.027466
 C     3.168314    -0.337316    -1.944102
 H     3.069481    -2.166093     0.749269
 C     2.785358    -0.874738     2.450487
 H     2.948157     0.166805     2.757184
 H     3.305694    -1.525528     3.166217
 H     1.713506    -1.094085     2.510691
 C     4.860185    -0.958781     0.960112
 H     5.170772     0.013813     1.359208
 H     5.335054    -1.731222     1.580692
 H     5.258220    -1.064300    -0.056503
 C     2.415096     0.480102    -3.016215
 H     4.180786     0.078520    -1.829423
 C     3.262448    -1.830179    -2.329213
 H     2.356231     1.543471    -2.754478
 H     1.393504     0.102557    -3.147309
 H     2.937381     0.394056    -3.978750
 H     3.871136    -2.407599    -1.622967
 H     3.722952    -1.922379    -3.322394
 H     2.268731    -2.291364    -2.365452
   41
scf done:  -810.954982
 C    -0.031108    -0.016835     0.015152
 C    -0.027816     0.001792     1.416416
 C     1.193959     0.065679     2.163228
 C     2.408273     0.042061     1.396324
 C     2.397381     0.044988    -0.005134
 C     1.177432     0.027524    -0.711706
 P     3.964051    -0.079648     2.424639
 C     4.930817     1.514206     2.167430
 C     1.259091     0.084204     3.627302
 C     0.148662     0.520412     4.478642
 C     0.111832     0.125723     5.859262
 C    -0.939406     0.500212     6.707124
 C    -1.982886     1.321845     6.233961
 C    -1.938880     1.779904     4.900127
 C    -0.901979     1.391728     4.041030
 P     1.610572    -0.837920     6.423076
 C     2.133249    -0.090356     8.065134
Pd     2.997657    -0.533349     4.533483
 I     5.335609    -1.363243     5.751769
 C     1.024366    -2.566868     6.879448
 C     5.033808    -1.392731     1.612419
 H    -0.971207    -0.080655     1.945104
 H    -0.978725    -0.079179    -0.515589
 H     1.170507     0.019796    -1.798454
 H     3.334278     0.038643    -0.559384
 H    -0.872176     1.798719     3.036159
 H    -2.711155     2.453270     4.534449
 H    -2.792334     1.619656     6.895195
 H    -0.945927     0.176032     7.746295
 H     5.907428    -1.564354     2.248248
 H     4.463046    -2.323047     1.544357
 H     5.353530    -1.082419     0.611087
 H     3.071358    -0.561668     8.372965
 H     2.308773     0.980234     7.927581
 H     1.366927    -0.242412     8.833785
 H     5.844394     1.471503     2.768654
 H     5.187903     1.646393     1.110276
 H     4.322718     2.358235     2.504424
 H     1.887394    -3.155526     7.205925
 H     0.278664    -2.524993     7.681516
 H     0.585607    -3.039203     5.996204
  130
scf done: -2254.345893
 C    -3.431432     2.782678     2.270227
 C    -3.989782     1.971788     1.239762
 C    -5.386126     2.123303     0.984168
 C    -6.142484     3.108925     1.643392
 C    -5.551616     3.941078     2.612366
 C    -4.194673     3.752875     2.938406
 C    -3.199677     0.931763     0.522721
Pd    -4.241630    -0.646222    -0.278539
Br    -5.509009    -2.627472    -1.437927
 P    -6.123117     0.818805    -0.139754
 C    -6.682432     1.675145    -1.763587
 C    -7.727230     2.793458    -1.558236
 C    -1.825991     1.030398     0.312579
 C    -1.029957    -0.147084    -0.100506
 C     0.325810    -0.124565    -0.210948
 C     1.162947     1.135268    -0.093767
 C     0.296949     2.334375     0.247984
 C    -1.046725     2.275750     0.431637
 C     2.504065     0.967159     0.793735
 C     3.190639     2.347233     0.892750
 C     3.764978     2.946103    -0.271916
 C     4.234630     4.271901    -0.244143
 C     4.216617     5.023020     0.946109
 C     3.733211     4.418927     2.118968
 C     3.222082     3.108209     2.086453
 P     4.066886     1.798440    -1.735643
 C     3.086635     2.438888    -3.290261
 C     2.560581     1.225323    -4.092354
 P    -2.106266    -1.655671    -0.420447
 C    -1.701657    -2.357531    -2.158858
 C    -0.311028    -3.012815    -2.302456
Pd     3.824367    -0.230337    -0.405522
Br     5.216833    -1.882483    -1.913905
 P     4.057044    -1.607859     1.490614
 C     2.808426    -0.835159     2.645689
 C     2.512176    -1.358081     3.923632
 C     1.532266    -0.762064     4.733001
 C     0.846814     0.368614     4.251055
 C     1.164935     0.905947     2.993825
 C     2.163312     0.332287     2.161914
 C     5.882143     2.209222    -2.244929
 C     6.863183     1.883748    -1.099904
 C     5.727474    -1.476251     2.430409
 C     6.858217    -2.220484     1.686543
 C     3.732561    -3.489931     1.298626
 C     3.920548    -4.339947     2.575175
 C     6.080338     0.007490     2.670706
 C     2.348009    -3.723923     0.663902
 C     6.281736     1.470593    -3.542596
 C     1.963812     3.452245    -2.983314
 C    -1.614369    -2.991035     0.856627
 C    -2.357814    -4.315992     0.573143
 C    -7.724386     0.263767     0.757648
 C    -7.347854    -0.509266     2.041498
 C    -8.624359    -0.585772    -0.167744
 C    -5.443327     2.190055    -2.528225
 C    -1.892523    -2.473589     2.284678
 C    -1.931153    -1.264211    -3.225244
 H     5.551648    -1.957334     3.404502
 H     5.299346     0.528835     3.236470
 H     6.221073     0.535701     1.720475
 H     7.016177     0.074118     3.242118
 H     7.805280    -2.071936     2.223232
 H     6.975343    -1.844862     0.663946
 H     6.676787    -3.300128     1.622454
 H     4.495381    -3.771065     0.560240
 H     2.262135    -3.199916    -0.294130
 H     1.545586    -3.385580     1.331890
 H     2.203948    -4.796737     0.477008
 H     3.111572    -4.170391     3.295796
 H     3.894654    -5.403894     2.301806
 H     4.878582    -4.154980     3.075392
 H     5.889717     3.294636    -2.432297
 H     5.643286     1.734749    -4.394758
 H     6.240285     0.385333    -3.399446
 H     7.312930     1.742776    -3.807405
 H     6.601706     2.404671    -0.171295
 H     6.877746     0.804599    -0.908802
 H     7.877845     2.191559    -1.388561
 H     3.850469     2.951678    -3.891642
 H     1.538997     3.811257    -3.931393
 H     2.329211     4.322227    -2.426534
 H     1.146442     3.003589    -2.408399
 H     2.117287     1.566388    -5.038179
 H     1.785787     0.688172    -3.530146
 H     3.354847     0.506108    -4.322571
 H     0.625101     1.778729     2.645535
 H     0.071237     0.835371     4.854201
 H     1.303050    -1.174179     5.712568
 H     3.044162    -2.230718     4.290999
 H     1.555916     1.328607    -1.103740
 H     2.841653     2.678897     3.005830
 H     3.743532     4.965971     3.059206
 H     4.597684     6.040953     0.959916
 H     4.656645     4.717119    -1.142792
 H     0.795337     3.300919     0.280517
 H     0.877617    -1.032051    -0.447840
 H    -1.590110     3.200862     0.599579
 H    -2.402448     2.621584     2.572657
 H    -3.735702     4.349992     3.723430
 H    -6.145846     4.692039     3.126750
 H    -7.204164     3.213589     1.433879
 H    -8.257036     1.184350     1.038674
 H    -8.090925    -1.474825    -0.522932
 H    -9.510133    -0.915453     0.392658
 H    -8.975462    -0.023037    -1.042013
 H    -4.721227     1.385110    -2.705890
 H    -4.935043     2.987381    -1.969836
 H    -5.750551     2.599463    -3.500277
 H    -7.300574     3.636384    -1.000643
 H    -8.050835     3.174990    -2.536456
 H    -8.621471     2.441828    -1.028826
 H    -6.824575    -1.439142     1.788988
 H    -6.703874     0.081640     2.704409
 H    -8.260073    -0.769570     2.595629
 H    -0.533276    -3.142567     0.738256
 H    -1.568785    -3.225347     3.017800
 H    -1.355370    -1.540991     2.494222
 H    -2.964846    -2.293344     2.431145
 H    -2.103409    -5.050283     1.349875
 H    -3.444166    -4.169029     0.578479
 H    -7.133531     0.856267    -2.340713
 H    -2.481365    -3.120613    -2.285912
 H    -1.224855    -0.432234    -3.105089
 H    -2.951811    -0.870216    -3.169278
 H    -1.785432    -1.692672    -4.225989
 H    -0.115227    -3.767619    -1.531441
 H     0.493658    -2.268686    -2.272971
 H    -0.251025    -3.516548    -3.277135
 H    -2.085458    -4.747039    -0.397843
  130
scf done: -2254.328477
 C     4.425733    -3.350583     0.929137
 C     5.237183    -2.318765     0.373617
 C     6.597136    -2.646500     0.088081
 C     7.062208    -3.969405     0.199609
 C     6.219128    -4.987464     0.683536
 C     4.907769    -4.659882     1.080595
 C     4.730695    -0.937510     0.148535
Pd     6.117148     0.577009     0.044784
Br     7.940470     2.453070    -0.159100
 P     7.676352    -1.178357    -0.335792
 C     9.172361    -1.154068     0.864840
 C    10.176051    -2.317302     0.705189
 C     3.390177    -0.656824    -0.109501
 C     2.391062    -1.641561    -0.566267
 C     1.087391    -1.328006    -0.788411
 C     0.487926     0.026057    -0.485373
 C     1.573424     1.045915    -0.206589
 C     2.883840     0.728317    -0.041791
 C    -0.567863    -0.045596     0.737476
 C    -1.655681    -1.059923     0.445908
 C    -2.961425    -0.733073     0.255992
 C    -3.449664     0.661437     0.294283
 C    -2.458787     1.632586     0.796616
 C    -1.163423     1.307975     1.049225
 C    -4.760356     0.969470    -0.064135
Pd    -6.182342    -0.514077    -0.118789
Br    -7.934872    -2.467739    -0.142885
 P    -4.314171    -1.966422    -0.161915
 C    -4.360977    -3.330771     1.183977
 C    -4.644842    -2.688859     2.559907
 P     4.226745     1.993521     0.324179
 C     3.892003     3.381223    -0.963728
 C     4.243755     2.850468    -2.371980
 C    -5.213805     2.357319    -0.356475
 C    -6.588913     2.708440    -0.219725
 C    -7.031084     4.021480    -0.455877
 C    -6.133683     5.012617    -0.895884
 C    -4.788000     4.664069    -1.124338
 C    -4.337519     3.360641    -0.863783
 P    -7.737730     1.279571     0.167574
 C    -8.489608     1.639476     1.904400
 C    -9.101160     0.358241     2.518860
 C    -3.776406    -2.804835    -1.796481
 C    -3.732150    -1.752710    -2.926501
 C    -4.716790    -3.978328    -2.152355
 C    -9.158878     1.509396    -1.106327
 C   -10.393142     0.639309    -0.782952
 C    -8.617670     1.211586    -2.522814
 C    -3.123656    -4.254896     1.231571
 C    -7.420900     2.237125     2.846766
 C     3.828665     2.729037     2.058271
 C     3.356501     1.625813     3.030845
 C     8.376566    -1.514262    -2.086804
 C     7.218588    -1.559705    -3.107625
 C     5.063548     3.461533     2.635751
 C     4.647174     4.691521    -0.654443
 C     9.434481    -0.456983    -2.475096
 C     8.669137    -1.030552     2.319791
 H    -8.080364     4.277813    -0.323712
 H    -6.483626     6.023465    -1.089405
 H    -4.093588     5.403944    -1.516227
 H    -3.307467     3.103790    -1.085677
 H    -6.577271     1.545350     2.970118
 H    -7.028079     3.191358     2.479271
 H    -7.864044     2.406827     3.837506
 H    -9.283520     2.384438     1.740393
 H    -9.566489     0.605284     3.483335
 H    -9.858986    -0.103148     1.879744
 H    -8.325676    -0.396394     2.693052
 H    -9.442225     2.571159    -1.045160
 H   -10.871169     0.932353     0.159466
 H   -11.136181     0.761068    -1.583125
 H   -10.123305    -0.421494    -0.725974
 H    -9.402536     1.409472    -3.265552
 H    -8.325342     0.158144    -2.606660
 H    -7.749487     1.833719    -2.771778
 H    -5.243049    -3.916917     0.892242
 H    -3.823696    -2.030290     2.871904
 H    -4.756286    -3.476777     3.317047
 H    -5.571764    -2.105508     2.537611
 H    -2.238253    -3.722512     1.599360
 H    -3.320820    -5.081140     1.928717
 H    -2.885559    -4.698729     0.257024
 H    -2.758200    -3.184667    -1.624196
 H    -3.060872    -0.919372    -2.686210
 H    -4.732018    -1.341636    -3.112692
 H    -3.376556    -2.222163    -3.853786
 H    -4.678779    -4.783935    -1.409214
 H    -4.420742    -4.401612    -3.121860
 H    -5.757383    -3.641386    -2.225219
 H    -2.812943     2.625588     1.058875
 H    -0.511408     2.045854     1.513498
 H    -1.334475    -2.095343     0.366332
 H     0.030990    -0.393006     1.595454
 H    -0.114596     0.363408    -1.344986
 H     0.430238    -2.076748    -1.227189
 H     1.248299     2.082241    -0.126782
 H     2.742808    -2.635187    -0.828399
 H     8.085512    -4.212921    -0.072681
 H     6.588286    -6.005257     0.780807
 H     4.262787    -5.423216     1.510182
 H     3.421973    -3.113524     1.265103
 H     2.808768     3.568143    -0.910841
 H     3.010048     3.448672     1.901641
 H     9.664091    -0.209827     0.594574
 H     8.847150    -2.507975    -2.040355
 H     7.613099    -1.813460    -4.100835
 H     6.463854    -2.308869    -2.839270
 H     6.723279    -0.583466    -3.176776
 H     9.773722    -0.641483    -3.503584
 H     9.016179     0.554799    -2.423262
 H    10.315371    -0.486127    -1.822189
 H     3.978135     3.604222    -3.125855
 H     5.319766     2.654585    -2.447539
 H     3.703000     1.926340    -2.609590
 H     4.460998     5.410622    -1.464191
 H     4.311074     5.154042     0.281262
 H     5.727523     4.517363    -0.595684
 H    11.070714    -2.103546     1.306078
 H     9.757116    -3.262409     1.070668
 H    10.503169    -2.457212    -0.332294
 H     9.526915    -0.917211     2.996497
 H     8.023767    -0.153280     2.439655
 H     8.108467    -1.922540     2.628555
 H     4.804383     3.895935     3.611364
 H     5.894767     2.761587     2.779647
 H     5.428035     4.264662     1.989493
 H     3.153047     2.071041     4.014271
 H     2.444086     1.128914     2.684210
 H     4.133670     0.861774     3.161654
   65
scf done: -1127.178084
 C    -2.523749     1.541582    -0.271242
 C    -1.261254     2.213428    -0.391645
 C    -1.289297     3.538012    -0.938071
 C    -2.495517     4.166221    -1.275021
 C    -3.728523     3.508164    -1.081302
 C    -3.727625     2.188064    -0.586119
 C    -0.028459     1.510623    -0.027427
 C     1.219502     2.204678     0.297147
 C     2.474169     1.513746     0.180991
 C     3.692135     2.175566     0.401519
 C     3.715486     3.521930     0.819041
 C     2.492984     4.193933     1.031315
 C     1.273045     3.555579     0.773115
 P     2.308982    -0.301219    -0.239085
 C     3.166509    -0.550215    -1.934379
 C     3.227713    -2.049391    -2.303265
 P    -2.403755    -0.251356     0.260331
 C    -3.619073    -1.152046    -0.924006
 C    -3.034300    -1.136957    -2.354268
Pd    -0.046341    -0.529920    -0.023534
Br     0.008132    -3.153402    -0.044946
 C     3.296727    -1.332721     1.041652
 C     4.832011    -1.167396     0.989924
 C    -3.166599    -0.362507     2.026094
 C    -2.801067     0.885640     2.859436
 C    -2.692951    -1.651406     2.738379
 C    -3.943000    -2.590503    -0.465363
 C     2.741511    -1.067812     2.458457
 C     2.430745     0.272359    -3.014701
 H     0.347493     4.085940     0.970445
 H     2.494078     5.216912     1.401677
 H     4.662124     4.025003     0.998493
 H     4.632366     1.649724     0.259227
 H    -4.676136     1.668348    -0.465633
 H    -4.664233     4.000378    -1.333551
 H    -2.476941     5.167419    -1.700342
 H    -0.354569     4.051791    -1.135462
 H    -1.712031     0.981955     2.960103
 H    -3.184929     1.810010     2.414391
 H    -3.225274     0.787271     3.868010
 H    -4.257911    -0.396647     1.884825
 H    -3.171338    -1.719665     3.725267
 H    -2.928271    -2.560786     2.178205
 H    -1.606297    -1.633423     2.881758
 H    -4.543252    -0.554541    -0.906133
 H    -4.472649    -2.611582     0.494774
 H    -4.593519    -3.066087    -1.212320
 H    -3.029757    -3.189828    -0.378127
 H    -3.760286    -1.574672    -3.053077
 H    -2.115610    -1.733829    -2.396726
 H    -2.805274    -0.119699    -2.694494
 H     3.032055    -2.361022     0.760585
 H     2.908479    -0.027596     2.767559
 H     3.248453    -1.722809     3.179994
 H     1.667473    -1.279133     2.505219
 H     5.144275    -0.190756     1.378311
 H     5.295756    -1.933752     1.626299
 H     5.240204    -1.289560    -0.020852
 H     4.187249    -0.154289    -1.822663
 H     2.393732     1.339245    -2.763272
 H     1.401592    -0.085201    -3.142793
 H     2.951517     0.166368    -3.976060
 H     3.837270    -2.628528    -1.599084
 H     3.671009    -2.162137    -3.302062
 H     2.225065    -2.492266    -2.317080
   41
scf done:  -812.734144
 C     0.001362     0.001603    -0.006068
 C     0.000391     0.002264     1.427140
 C     1.289194     0.001383     2.062617
 C     2.477383     0.081278     1.323694
 C     2.443074     0.123262    -0.085181
 C     1.194343     0.060512    -0.739119
 C    -1.214015    -0.064724     2.245777
Pd    -1.052732    -0.760324     4.164700
Br    -0.847494    -1.645464     6.605170
 P     1.227598    -0.198378     3.919299
 C     1.890658     1.391457     4.676455
 C    -2.537804     0.340116     1.762952
 C    -2.750335     1.253315     0.678985
 C    -4.039896     1.611019     0.262912
 C    -5.179939     1.079482     0.902188
 C    -5.003560     0.212707     2.000122
 C    -3.716739    -0.132846     2.434713
 P    -3.371079    -1.158327     3.957828
 C    -4.507945    -0.522265     5.310329
 C    -3.999245    -2.898788     3.616191
 C     2.516010    -1.488072     4.369837
 H    -1.895723     1.716005     0.197422
 H    -4.159793     2.317846    -0.555374
 H    -6.178305     1.354497     0.572368
 H    -5.878205    -0.170325     2.522988
 H    -0.938508    -0.093345    -0.538960
 H     1.154104     0.044411    -1.826177
 H     3.365633     0.175246    -0.657310
 H     3.438874     0.089738     1.834154
 H    -4.238382    -1.024743     6.244133
 H    -4.346209     0.552303     5.433201
 H    -5.560578    -0.711864     5.071137
 H     2.414546    -1.710734     5.436263
 H     2.316924    -2.401454     3.802342
 H     3.530413    -1.133562     4.154183
 H    -3.792799    -3.524399     4.490248
 H    -5.075916    -2.891020     3.411535
 H    -3.465821    -3.306945     2.753251
 H     1.849303     1.304926     5.766771
 H     2.923334     1.573472     4.357684
 H     1.258275     2.226385     4.362150
  130
scf done: -2257.904652
 C     3.526384    -2.022297     2.738419
 C     4.048486    -1.467370     1.534512
 C     5.440754    -1.663742     1.282779
 C     6.228282    -2.459321     2.133642
 C     5.673382    -3.045702     3.286724
 C     4.321119    -2.801223     3.594380
 C     3.230291    -0.622338     0.618639
Pd     4.237998     0.752416    -0.512651
Cl     5.388394     2.411704    -1.957049
 P     6.125119    -0.661553    -0.142840
 C     6.607234    -1.880863    -1.544084
 C     7.679294    -2.914385    -1.135847
 C     1.854280    -0.773441     0.460540
 C     1.042092     0.274098    -0.200373
 C    -0.310985     0.201241    -0.319007
 C    -1.129534    -1.015821     0.068358
 C    -0.253746    -2.080791     0.704555
 C     1.088066    -1.962217     0.874243
 C    -2.498545    -0.669427     0.852853
 C    -3.174567    -1.999505     1.253282
 C    -3.709082    -2.862566     0.245482
 C    -4.179428    -4.147628     0.571670
 C    -4.196995    -4.596800     1.905497
 C    -3.749580    -3.729627     2.916421
 C    -3.240244    -2.458763     2.591016
 P    -3.966925    -2.095991    -1.455342
 C    -2.919354    -3.065416    -2.778788
 C    -2.333555    -2.061025    -3.799419
 P     2.099583     1.701476    -0.818418
 C     1.709868     2.054235    -2.660854
 C     0.316013     2.654446    -2.943108
Pd    -3.803432     0.182788    -0.612205
Cl    -5.203693     1.318773    -2.337194
 P    -4.112151     1.959200     0.893008
 C    -2.880106     1.511530     2.222896
 C    -2.624690     2.327152     3.347488
 C    -1.660261     1.956440     4.297855
 C    -0.949298     0.755824     4.113584
 C    -1.225569    -0.068249     3.011289
 C    -2.206796     0.274788     2.043315
 C    -5.761667    -2.617317    -1.923291
 C    -6.779441    -2.053202    -0.910180
 C    -5.808005     2.038827     1.792515
 C    -6.916651     2.583001     0.863607
 C    -3.810095     3.732596     0.228969
 C    -3.954264     4.871417     1.262510
 C    -6.173886     0.649542     2.357415
 C    -2.455782     3.797627    -0.503258
 C    -6.105815    -2.164213    -3.361486
 C    -1.826506    -3.985666    -2.194161
 C     1.624294     3.263899     0.176797
 C     2.398878     4.491414    -0.356022
 C     7.760638     0.096037     0.503131
 C     7.439633     1.142687     1.593851
 C     8.565889     0.724279    -0.657925
 C     5.336122    -2.567510    -2.090035
 C     1.893087     3.025361     1.678395
 C     1.967275     0.782231    -3.498135
 H    -5.661815     2.732892     2.634438
 H    -5.394843     0.253182     3.019166
 H    -6.330942    -0.069730     1.545692
 H    -7.105658     0.722531     2.934683
 H    -7.878159     2.558289     1.394631
 H    -7.005234     1.977357    -0.045423
 H    -6.732928     3.619402     0.555598
 H    -4.603711     3.820129    -0.524978
 H    -2.412295     3.057027    -1.308642
 H    -1.621495     3.624324     0.188953
 H    -2.324380     4.792707    -0.949932
 H    -3.112832     4.883489     1.965550
 H    -3.953170     5.835863     0.736149
 H    -4.887822     4.812450     1.835108
 H    -5.772227    -3.717868    -1.875686
 H    -5.430492    -2.590715    -4.114000
 H    -6.070520    -1.071818    -3.438616
 H    -7.124230    -2.494731    -3.608737
 H    -6.566758    -2.379643     0.114723
 H    -6.776009    -0.957708    -0.942440
 H    -7.788385    -2.398990    -1.175007
 H    -3.657484    -3.697245    -3.292118
 H    -1.367022    -4.559037    -3.011665
 H    -2.228032    -4.698517    -1.465415
 H    -1.028107    -3.417128    -1.704410
 H    -1.855354    -2.603719    -4.626605
 H    -1.573264    -1.423972    -3.329503
 H    -3.102716    -1.401551    -4.217588
 H    -0.665504    -0.988724     2.892819
 H    -0.186267     0.457693     4.829168
 H    -1.462959     2.591838     5.157665
 H    -3.176730     3.252483     3.485070
 H    -1.487899    -1.451266    -0.877450
 H    -2.889914    -1.821002     3.394126
 H    -3.787774    -4.040070     3.958362
 H    -4.577737    -5.585678     2.147963
 H    -4.574393    -4.794705    -0.209046
 H    -0.741126    -3.016037     0.972686
 H    -0.874149     1.022972    -0.756464
 H     1.639775    -2.812150     1.264664
 H     2.502081    -1.805661     3.021860
 H     3.890279    -3.203094     4.508938
 H     6.291207    -3.648231     3.947756
 H     7.286083    -2.599992     1.924681
 H     8.339347    -0.724512     0.952407
 H     7.967396     1.480290    -1.179787
 H     9.463646     1.212284    -0.254297
 H     8.895554    -0.023531    -1.390491
 H     4.587235    -1.830310    -2.400886
 H     4.879553    -3.217130    -1.331725
 H     5.593385    -3.188948    -2.958548
 H     7.299763    -3.592632    -0.361309
 H     7.947442    -3.527228    -2.007730
 H     8.599851    -2.444574    -0.767720
 H     6.863992     1.973135     1.167891
 H     6.865693     0.711313     2.423311
 H     8.375621     1.548091     2.002124
 H     0.546072     3.414084     0.028189
 H     1.597527     3.915468     2.250747
 H     1.326721     2.169408     2.063834
 H     2.959949     2.841811     1.857079
 H     2.170553     5.365885     0.268608
 H     3.481040     4.317860    -0.328539
 H     7.012462    -1.223957    -2.325876
 H     2.485135     2.788327    -2.918753
 H     1.268900    -0.022192    -3.231827
 H     2.991898     0.421191    -3.356404
 H     1.831498     1.011825    -4.563670
 H     0.103928     3.538145    -2.329926
 H    -0.482718     1.920715    -2.781657
 H     0.264887     2.964095    -3.996115
 H     2.128783     4.737466    -1.390168
  130
scf done: -2257.886631
 C     4.593542    -3.184905     0.941779
 C     5.348943    -2.115349     0.378777
 C     6.723379    -2.375377     0.089140
 C     7.256072    -3.671954     0.206790
 C     6.467653    -4.729372     0.698426
 C     5.142421    -4.467221     1.097674
 C     4.772702    -0.760629     0.152686
Pd     6.079267     0.814059     0.026890
Cl     7.703751     2.670767    -0.237068
 P     7.722757    -0.855245    -0.342850
 C     9.211229    -0.731674     0.859994
 C    10.280781    -1.836087     0.711359
 C     3.417777    -0.546072    -0.097480
 C     2.463013    -1.578487    -0.543022
 C     1.145995    -1.326281    -0.765763
 C     0.485753     0.002634    -0.477138
 C     1.523860     1.072122    -0.203963
 C     2.847018     0.815071    -0.036555
 C    -0.571523    -0.105081     0.741135
 C    -1.625337    -1.152495     0.439930
 C    -2.939099    -0.864927     0.241211
 C    -3.472474     0.513973     0.284738
 C    -2.514813     1.513537     0.794633
 C    -1.211375     1.228172     1.053268
 C    -4.792925     0.781079    -0.072687
Pd    -6.157744    -0.744275    -0.149400
Cl    -7.748969    -2.648272    -0.201044
 P    -4.250397    -2.134928    -0.196093
 C    -4.291665    -3.507499     1.139612
 C    -4.617026    -2.882095     2.513953
 P     4.132399     2.140650     0.314835
 C     3.753727     3.509636    -0.977210
 C     4.086429     2.971225    -2.387355
 C    -5.296063     2.155375    -0.353747
 C    -6.683705     2.455234    -0.213900
 C    -7.176725     3.749560    -0.451193
 C    -6.317843     4.774326    -0.891451
 C    -4.959179     4.478110    -1.116913
 C    -4.458559     3.192663    -0.857208
 P    -7.771008     0.981562     0.175682
 C    -8.512107     1.264094     1.931768
 C    -8.954198    -0.081898     2.554399
 C    -3.690976    -2.957521    -1.829699
 C    -3.631648    -1.897366    -2.951369
 C    -4.637135    -4.122389    -2.201382
 C    -9.229240     1.140629    -1.061417
 C   -10.375260     0.158090    -0.730456
 C    -8.701945     0.920324    -2.497080
 C    -3.035214    -4.403935     1.203035
 C    -7.497393     1.980078     2.850554
 C     3.733639     2.876312     2.047661
 C     3.277868     1.773113     3.027812
 C     8.445779    -1.139523    -2.091900
 C     7.293639    -1.254806    -3.113876
 C     4.969827     3.618925     2.610505
 C     4.511512     4.824047    -0.688682
 C     9.429206    -0.006911    -2.466611
 C     8.696631    -0.626047     2.312481
 H    -8.235701     3.963324    -0.320211
 H    -6.706140     5.770776    -1.086544
 H    -4.293316     5.244681    -1.507091
 H    -3.419234     2.976100    -1.079058
 H    -6.575806     1.391269     2.949272
 H    -7.227178     2.974385     2.478770
 H    -7.932047     2.094189     3.852994
 H    -9.391814     1.910681     1.790346
 H    -9.437886     0.107639     3.522788
 H    -9.651519    -0.638486     1.922124
 H    -8.086642    -0.730359     2.722421
 H    -9.598317     2.173396    -0.964626
 H   -10.844529     0.377477     0.236396
 H   -11.152644     0.241146    -1.502376
 H   -10.011861    -0.876244    -0.717942
 H    -9.518025     1.072704    -3.216487
 H    -8.331199    -0.105056    -2.613210
 H    -7.890930     1.613684    -2.750242
 H    -5.156320    -4.108594     0.827109
 H    -3.822232    -2.200152     2.843504
 H    -4.716820    -3.677508     3.264947
 H    -5.561323    -2.328155     2.477846
 H    -2.166165    -3.850801     1.579625
 H    -3.221120    -5.233978     1.898759
 H    -2.776324    -4.842862     0.231432
 H    -2.676522    -3.344609    -1.651696
 H    -2.960631    -1.067766    -2.697733
 H    -4.628311    -1.482324    -3.145969
 H    -3.267130    -2.361235    -3.877985
 H    -4.601078    -4.938602    -1.469686
 H    -4.344551    -4.533269    -3.177156
 H    -5.676534    -3.779618    -2.266511
 H    -2.900287     2.494578     1.057833
 H    -0.584715     1.984659     1.522568
 H    -1.272837    -2.177770     0.357397
 H     0.034462    -0.435156     1.600874
 H    -0.127217     0.305763    -1.342201
 H     0.522871    -2.108908    -1.195168
 H     1.153914     2.093866    -0.132469
 H     2.858198    -2.557782    -0.796938
 H     8.290199    -3.863939    -0.066145
 H     6.888717    -5.726407     0.799908
 H     4.538562    -5.260345     1.533053
 H     3.580308    -2.998120     1.280964
 H     2.670330     3.691024    -0.906649
 H     2.909300     3.590261     1.895911
 H     9.647713     0.237210     0.582003
 H     8.983362    -2.098921    -2.053064
 H     7.704136    -1.469947    -4.109683
 H     6.592822    -2.057481    -2.853513
 H     6.731153    -0.314877    -3.171996
 H     9.774392    -0.150866    -3.499514
 H     8.945858     0.974340    -2.393807
 H    10.313793     0.009422    -1.817920
 H     3.799841     3.716268    -3.142239
 H     5.163214     2.786760    -2.479655
 H     3.551901     2.039443    -2.608485
 H     4.314926     5.536524    -1.501761
 H     4.186439     5.294042     0.247340
 H     5.592470     4.648589    -0.641186
 H    11.153707    -1.576052     1.325957
 H     9.909710    -2.804992     1.066453
 H    10.629747    -1.952386    -0.322072
 H     9.543138    -0.452852     2.990722
 H     7.995950     0.209282     2.421667
 H     8.191766    -1.548496     2.628050
 H     4.719149     4.051828     3.588920
 H     5.807693     2.924678     2.743977
 H     5.320087     4.423972     1.958792
 H     3.078170     2.220119     4.011216
 H     2.367068     1.267240     2.689846
 H     4.062394     1.015931     3.155421
   65
scf done: -1128.958725
 C    -2.533971     1.317523    -0.266066
 C    -1.276613     2.002126    -0.381027
 C    -1.317489     3.328138    -0.922988
 C    -2.529122     3.943827    -1.264003
 C    -3.756008     3.271553    -1.080027
 C    -3.743198     1.950522    -0.587457
 C    -0.036888     1.307492    -0.021397
 C     1.210155     2.006726     0.299085
 C     2.468125     1.319926     0.180852
 C     3.684039     1.984012     0.405396
 C     3.703519     3.329690     0.825414
 C     2.478912     3.998264     1.036228
 C     1.260641     3.357128     0.776359
 P     2.306607    -0.493531    -0.243779
 C     3.153001    -0.758939    -1.940420
 C     3.168282    -2.261472    -2.303566
 P    -2.395244    -0.473786     0.261194
 C    -3.570697    -1.414321    -0.928161
 C    -3.012741    -1.331691    -2.366903
Pd    -0.041496    -0.726136    -0.025537
Cl     0.029648    -3.206109    -0.070665
 C     3.278905    -1.540088     1.034736
 C     4.815410    -1.388433     0.987768
 C    -3.165882    -0.623611     2.020721
 C    -2.907256     0.652684     2.850766
 C    -2.600510    -1.869723     2.743184
 C    -3.775911    -2.882811    -0.492563
 C     2.719872    -1.278391     2.450610
 C     2.432125     0.080275    -3.017954
 H     0.333850     3.884866     0.974920
 H     2.476975     5.020841     1.407749
 H     4.648527     3.834812     1.007704
 H     4.625508     1.459658     0.264579
 H    -4.685744     1.418015    -0.474936
 H    -4.695424     3.753915    -1.337503
 H    -2.519346     4.946571    -1.686032
 H    -0.387943     3.852978    -1.115633
 H    -1.830201     0.836558     2.958500
 H    -3.360276     1.542000     2.399371
 H    -3.328785     0.524418     3.857174
 H    -4.249553    -0.744180     1.869213
 H    -3.103586    -1.989938     3.712713
 H    -2.729951    -2.791851     2.169417
 H    -1.525746    -1.751187     2.924667
 H    -4.534487    -0.884190    -0.882183
 H    -4.283707    -2.962136     0.476519
 H    -4.402154    -3.393820    -1.236816
 H    -2.815521    -3.408143    -0.432165
 H    -3.718952    -1.805774    -3.062262
 H    -2.056689    -1.863940    -2.435628
 H    -2.859468    -0.295266    -2.691025
 H     3.003600    -2.563860     0.747224
 H     2.892293    -0.241101     2.766443
 H     3.218853    -1.941066     3.170762
 H     1.644255    -1.482737     2.490256
 H     5.134809    -0.411553     1.370286
 H     5.271462    -2.154424     1.630145
 H     5.224961    -1.520403    -0.021317
 H     4.185007    -0.391183    -1.836821
 H     2.427221     1.148688    -2.770274
 H     1.392196    -0.248506    -3.136198
 H     2.941822    -0.043757    -3.983062
 H     3.774768    -2.852566    -1.606568
 H     3.591498    -2.390384    -3.309010
 H     2.154095    -2.677911    -2.296934
   41
scf done:  -814.512842
 C     0.001736     0.003468    -0.011651
 C     0.000206     0.005071     1.421448
 C     1.289249     0.004683     2.057319
 C     2.477685     0.082664     1.318574
 C     2.443738     0.122861    -0.090350
 C     1.194994     0.060804    -0.744413
 C    -1.214469    -0.062727     2.240369
Pd    -1.053654    -0.756342     4.153711
Cl    -0.859618    -1.593209     6.462299
 P     1.224649    -0.189176     3.913897
 C     1.893347     1.399639     4.668084
 C    -2.538615     0.341633     1.756846
 C    -2.751642     1.255451     0.673641
 C    -4.041355     1.614138     0.258820
 C    -5.181349     1.083023     0.898619
 C    -5.004691     0.214852     1.995389
 C    -3.717751    -0.132022     2.428599
 P    -3.369447    -1.161820     3.947428
 C    -4.490153    -0.528575     5.314183
 C    -4.003516    -2.899923     3.605023
 C     2.499338    -1.486668     4.379390
 H    -1.897157     1.717991     0.191652
 H    -4.161473     2.321532    -0.558965
 H    -6.179749     1.359122     0.569779
 H    -5.879066    -0.168686     2.518417
 H    -0.938071    -0.091065    -0.544782
 H     1.155008     0.043962    -1.831485
 H     3.366414     0.173367    -0.662440
 H     3.438966     0.091366     1.829510
 H    -4.205663    -1.031733     6.243126
 H    -4.327330     0.545975     5.436211
 H    -5.546021    -0.718871     5.090529
 H     2.382478    -1.706487     5.444782
 H     2.299014    -2.399565     3.811456
 H     3.519268    -1.141374     4.175421
 H    -3.793144    -3.528521     4.476069
 H    -5.081423    -2.890000     3.406980
 H    -3.476114    -3.306826     2.737758
 H     1.847824     1.317132     5.758604
 H     2.928113     1.575807     4.352764
 H     1.266238     2.236697     4.348802




