   89
scf done: -1439.857486
 C     1.429743     2.912961    -0.666313
 C     1.297677     1.578004    -0.162495
 C     2.524473     0.893967     0.113058
 C     3.770022     1.527973    -0.024852
 C     3.886672     2.860039    -0.481347
 C     2.677555     3.522182    -0.818607
 C     0.017692     0.888742     0.003533
Pd     0.006986    -1.161439    -0.025823
 P     2.312060    -0.910798     0.570582
 C     2.742706    -1.093763     2.434191
 C     1.691938    -0.347617     3.284924
 C     5.240627     3.583112    -0.651288
 C     5.436779     3.973184    -2.147090
 C     5.249243     4.874601     0.219717
 C     6.440721     2.702604    -0.221453
 C     4.177738    -0.647591     2.789701
 C    -1.251270     1.595871     0.168582
 C    -2.489693     0.935274    -0.116163
 C    -3.716955     1.616889    -0.067542
 C    -3.808825     2.965522     0.343857
 C    -2.595595     3.594451     0.729358
 C    -1.362457     2.944956     0.641547
 P    -2.311428    -0.886358    -0.505205
 C    -3.462908    -1.871774     0.674266
 C    -4.978061    -1.674281     0.447680
 C    -5.143042     3.739062     0.423056
 C    -5.055964     5.015256    -0.466254
 C    -5.409455     4.160711     1.899203
 C    -6.347087     2.894499    -0.063530
 C    -3.004390    -1.116000    -2.278551
 C    -3.108728    -2.609414    -2.658333
 C    -2.124268    -0.336891    -3.280378
 C    -3.063731    -1.588411     2.138963
 I    -0.096297    -3.948276    -0.017221
 C     3.702698    -1.821718    -0.389449
 C     3.915628    -3.261424     0.128116
 C     3.376005    -1.804905    -1.899639
 H    -4.620609     1.086687    -0.346505
 H    -2.614354     4.614101     1.108403
 H    -0.470348     3.465696     0.973009
 H    -4.605018     4.794320     2.291717
 H    -5.489474     3.279079     2.548325
 H    -6.348507     4.726391     1.970245
 H    -7.265255     3.492465    -0.001516
 H    -6.494122     1.999550     0.555350
 H    -6.226515     2.577753    -1.107882
 H    -4.884128     4.748382    -1.517102
 H    -4.239654     5.675598    -0.150103
 H    -5.992745     5.585612    -0.404725
 H     4.670330     0.968845     0.206672
 H     2.711421     4.531643    -1.222926
 H     0.542522     3.450524    -0.983250
 H     4.436781     5.556528    -0.058463
 H     6.198536     5.412495     0.092461
 H     5.132656     4.629735     1.283456
 H     7.374049     3.266363    -0.346437
 H     6.519524     1.794204    -0.833007
 H     6.371287     2.405707     0.833395
 H     4.633335     4.628157    -2.504931
 H     5.450801     3.079748    -2.784646
 H     6.388639     4.505493    -2.279389
 H    -4.009635    -0.667876    -2.266758
 H    -3.195453    -2.912215     0.445231
 H    -2.549171    -0.422610    -4.289808
 H    -1.106522    -0.745799    -3.302300
 H    -2.059272     0.727937    -3.026379
 H    -3.788134    -3.163793    -1.999829
 H    -2.128647    -3.097694    -2.611134
 H    -3.489164    -2.698762    -3.685274
 H    -3.245922    -0.540078     2.409565
 H    -2.004693    -1.814103     2.307245
 H    -3.657478    -2.222587     2.811174
 H    -5.304657    -0.673449     0.753815
 H    -5.528607    -2.399795     1.062640
 H    -5.276905    -1.835390    -0.595310
 H     4.619432    -1.238319    -0.217191
 H     2.640545    -2.172154     2.617737
 H     2.459962    -2.372819    -2.101066
 H     4.198053    -2.270806    -2.460241
 H     3.241227    -0.784284    -2.278766
 H     4.223351    -3.287177     1.180937
 H     4.707868    -3.743425    -0.461396
 H     3.001460    -3.855749     0.021685
 H     4.304961     0.430832     2.634972
 H     4.940224    -1.175654     2.204048
 H     4.372374    -0.855298     3.850987
 H     1.728489     0.733857     3.099623
 H     1.890346    -0.516751     4.352193
 H     0.676773    -0.695395     3.062554

   89
scf done: -1439.664087
 C    -3.717499     1.540241     0.018668
 C    -2.489342     0.884627    -0.127546
 C    -1.262457     1.555793     0.174401
 C    -1.353234     2.876650     0.714801
 C    -2.588444     3.500665     0.889437
 C    -3.803677     2.863896     0.521926
 C     0.000010     0.845052    -0.000739
Pd     0.000779    -1.163792    -0.001310
 P    -2.306889    -0.920385    -0.638243
 C    -3.731784    -1.821408     0.284174
 C    -3.992609    -3.230433    -0.292756
 C    -5.143704     3.601365     0.706946
 C    -5.332090     3.938213     2.218806
 C    -2.671483    -1.038965    -2.521108
 C    -4.082473    -0.540407    -2.903302
 C    -5.112122     4.924828    -0.117451
 C    -6.357217     2.761533     0.237887
 C    -1.569718    -0.312812    -3.321726
 C    -3.427325    -1.866569     1.798033
 C     1.262464     1.555977    -0.176018
 C     2.489292     0.885490     0.127612
 C     3.717356     1.541390    -0.018218
 C     3.803537     2.864305    -0.523411
 C     2.588363     3.500316    -0.892462
 C     1.353185     2.876218    -0.717847
 P     2.306520    -0.918939     0.640049
 C     3.734547    -1.820788    -0.276731
 C     3.994956    -3.228494     0.303481
 C     5.143508     3.601917    -0.708456
 C     6.356516     2.764999    -0.232928
 C     2.664445    -1.035087     2.524333
 C     4.073926    -0.535208     2.910685
 C     5.334952     3.932265    -2.221464
 C     5.109270     4.928908     0.109925
 C     1.559897    -0.308462     3.320598
 C     3.434132    -1.868989    -1.791334
 I     0.001790    -3.883536    -0.002652
 H     4.631846     1.021272     0.240567
 H     2.612689     4.493176    -1.331281
 H     0.453906     3.381666    -1.053191
 H     6.279494     4.471483    -2.363081
 H     4.529296     4.565434    -2.611273
 H     5.371701     3.017009    -2.825707
 H     6.051151     5.472679    -0.031679
 H     4.989338     4.730970     1.182692
 H     4.294116     5.589680    -0.207396
 H     6.290100     2.511789     0.833432
 H     7.275056     3.346253    -0.372951
 H     6.468606     1.836979    -0.808715
 H    -0.453905     3.382766     1.048964
 H    -2.612717     4.493980     1.327242
 H    -4.632050     1.019436    -0.238447
 H     2.591058    -2.112467     2.725066
 H    -4.993608     4.722235    -1.189497
 H    -4.297188     5.587844     0.195709
 H    -6.054396     5.468155     0.023208
 H    -6.293197     2.503836    -0.827532
 H    -7.275862     3.342686     0.377702
 H    -6.467099     1.835943     0.817979
 H    -6.275969     4.478747     2.359884
 H    -4.525283     4.572320     2.604676
 H    -5.368471     3.025481     2.826904
 H     4.623639    -1.196077    -0.107164
 H     1.579250     0.774071     3.136766
 H     1.720374    -0.466634     4.394534
 H     0.562652    -0.687148     3.068052
 H     4.176539     0.543330     2.739094
 H     4.872962    -1.054718     2.368648
 H     4.236188    -0.713407     3.981536
 H     4.287705    -2.316618    -2.316109
 H     3.266479    -0.870803    -2.215404
 H     2.552063    -2.487509    -1.992684
 H     4.269304    -3.204017     1.364683
 H     4.830562    -3.686223    -0.241685
 H     3.120386    -3.876252     0.185977
 H    -2.598305    -2.116541    -2.720850
 H    -4.621870    -1.197796     0.115619
 H    -0.571659    -0.691399    -3.072240
 H    -1.588376     0.769824    -3.138490
 H    -1.733841    -0.471662    -4.395010
 H    -4.184788     0.538521    -2.734115
 H    -4.879200    -1.058802    -2.356826
 H    -4.248766    -0.721417    -3.973054
 H    -3.259867    -0.867441     2.219965
 H    -2.543886    -2.483551     1.998191
 H    -4.278895    -2.314400     2.325861
 H    -3.116953    -3.877059    -0.177125
 H    -4.270669    -3.208017    -1.353049
 H    -4.825853    -3.688093     0.256063

   41
scf done:  -810.743992
 C    -0.021726    -0.062306    -0.072618
 C    -0.006247    -0.068469     1.325822
 C     1.235829    -0.059574     2.045266
 C     2.445829     0.046025     1.292332
 C     2.418601     0.084314    -0.108609
 C     1.190679     0.006589    -0.795208
 C     1.201547    -0.067629     3.509989
Pd    -0.464898     0.548975     4.443722
 P    -1.550644     0.002085     2.397363
 C    -2.704000     1.233275     1.580711
 H    -3.561853     1.388231     2.241365
 C    -2.412649    -1.661146     2.260078
 H    -2.718657    -1.853842     1.226331
 H    -1.738443    -2.452677     2.597599
 H    -2.186734     2.187818     1.451987
 C     2.341653    -0.510340     4.316763
 C     2.431735    -0.075107     5.681650
 C     3.502717    -0.472038     6.488720
 C     4.484471    -1.353053     5.981986
 C     4.379313    -1.846242     4.666330
 C     3.327227    -1.428552     3.839588
 P     0.983731     0.961970     6.286712
 C     0.550222     0.318876     7.993001
 H    -0.363011     0.820654     8.325579
 C     1.612099     2.711807     6.554108
 H     2.392538     2.729197     7.322238
 H     2.011024     3.105673     5.615638
 H     0.357243    -0.755920     7.939608
 I    -2.703953     1.376844     5.698260
 H     3.579837    -0.128528     7.516932
 H     5.108482    -2.560359     4.295070
 H     3.232638    -1.854867     2.846796
 H     3.394276     0.156351     1.806738
 H     3.345628     0.185426    -0.665280
 H    -0.961902    -0.086435    -0.617276
 H     0.772142     3.337110     6.871575
 H     1.358084     0.516985     8.705504
 H    -3.295253    -1.648618     2.906743
 H    -3.050625     0.863937     0.609634
 H     5.306450    -1.670261     6.617906
 H     1.172477     0.026224    -1.881462


