%nprocs=48
%mem=350GB
%chk=3h-ruphos-06-c2-h2o.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd         0.69360       -1.33839       -0.28304
O          1.25301       -3.39619        0.16328
H          1.89817       -3.52929       -0.57975
B         -0.08771       -3.97005       -0.27677
O         -0.80018       -4.57541        0.82381
O          0.20930       -4.83849       -1.41501
O         -0.92127       -2.77455       -0.72662
H         -1.65253       -2.63681       -0.08574
O          2.12118       -3.25700       -2.47047
H          1.59946       -2.43464       -2.33366
H          1.41346       -3.95296       -2.35445
C          2.38240       -0.42033        0.21799
C          2.45187        0.46724        1.28753
C          3.58292       -0.75953       -0.48306
C          4.79354       -0.17356       -0.13653
C          4.88088        0.77283        0.92680
C          3.68105        1.08571        1.66426
C          3.75663        2.02234        2.73810
C          4.96025        2.62804        3.06934
C          6.14295        2.31974        2.34258
C          6.10142        1.41061        1.29470
H          3.55716       -1.50610       -1.29247
H          5.71075       -0.44351       -0.68469
H          1.55175        0.71046        1.87037
H          7.09292        2.80414        2.61550
H          7.01590        1.16683        0.73075
H          2.83522        2.25890        3.29382
H          5.00403        3.35039        3.89909
H         -0.27347       -5.32332        1.15385
H         -0.62670       -5.15145       -1.80094
P         -0.08225        0.65753       -0.94296
C         -1.68784        0.37207       -1.84891
C         -2.54233        1.60814       -2.17371
C         -3.90845        1.15858       -2.71549
H         -4.52806        2.04525       -2.96831
H         -4.44820        0.61360       -1.90959
C         -3.76602        0.23822       -3.93527
H         -4.76437       -0.10599       -4.27851
H         -3.32951        0.81906       -4.77925
C         -2.85879       -0.96140       -3.63212
H         -3.34079       -1.61480       -2.87117
H         -2.72172       -1.58526       -4.54007
H         -2.67197        2.23982       -1.27391
H         -2.03208        2.22532       -2.94208
H         -2.24624       -0.23972       -1.10738
C         -1.49378       -0.51261       -3.09433
H         -0.96343        0.06466       -3.88234
H         -0.86845       -1.39198       -2.84168
C          1.12713        1.57100       -2.03219
C          1.79950        0.66696       -3.08339
C          2.99616        1.39415       -3.70995
H          3.47241        0.74579       -4.47459
H          3.76187        1.56101       -2.91958
C          2.58206        2.73716       -4.32665
H          3.46977        3.27379       -4.72216
H          1.91905        2.54522       -5.20054
C          1.83050        3.61841       -3.31958
H          2.52690        3.93030       -2.50860
H          1.47923        4.55257       -3.80614
H          2.12462       -0.28155       -2.61563
H          1.06965        0.40084       -3.87647
H          1.92647        1.81931       -1.29724
C          0.64090        2.87229       -2.69512
H         -0.08706        2.61877       -3.49536
H          0.10221        3.52242       -1.97677
C         -0.42252        1.80145        0.47793
C          0.40309        2.93350        0.66762
C          0.26896        3.76290        1.78816
H          0.93750        4.62894        1.90422
C         -0.70251        3.47416        2.75574
H         -0.81674        4.11557        3.64271
C         -1.52171        2.35119        2.59004
H         -2.28274        2.10375        3.34519
H          1.19355        3.16872       -0.05548
C         -1.39526        1.49881        1.47459
C         -2.30326        0.31535        1.40816
C         -1.87623       -0.96126        1.85783
O         -0.63275       -1.01764        2.39165
C         -0.23619       -2.17712        3.18838
C         -1.00316       -2.17423        4.50807
H         -2.09863       -2.22335        4.35199
H         -0.70740       -3.04996        5.11945
H         -0.77223       -1.25469        5.08372
C          1.26724       -2.06988        3.37928
H          1.53643       -1.12875        3.89993
H          1.78914       -2.10290        2.40554
H          1.62124       -2.92202        3.99230
H         -0.45431       -3.09336        2.59776
C         -2.73380       -2.08152        1.72270
H         -2.38636       -3.08701        1.99392
C         -4.02957       -1.89462        1.22163
C         -4.51134       -0.62474        0.87702
H         -5.54309       -0.50482        0.52350
H         -4.68985       -2.76848        1.11336
C         -3.64764        0.48476        0.99107
O         -4.00239        1.76610        0.68853
C         -5.39112        2.13974        0.58198
C         -6.06156        2.10613        1.95391
H         -6.00840        1.09788        2.40849
H         -5.56187        2.82246        2.63700
H         -7.12945        2.38987        1.86968
H         -5.90390        1.43270       -0.11007
C         -5.39506        3.52812       -0.04334
H         -4.83731        4.23790        0.59996
H         -4.91634        3.51359       -1.04116
H         -6.43330        3.89612       -0.15739

