%nprocs=48
%mem=350GB
%chk=3q-ruphos-03-c1.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd        -1.35501       -0.06761        1.27610
O         -0.23222        0.37360        2.87079
H          0.69541        0.13728        2.67032
O         -2.82860       -0.81011        2.62367
O         -4.15799        1.19744        2.07220
H         -2.70658       -0.26808        3.42962
B         -4.01742       -0.21352        1.78718
O         -5.24794       -0.90783        2.06765
C         -3.42182       -0.41452        0.25646
C         -2.55084       -1.46798       -0.12984
C         -3.97159        0.40435       -0.79453
C         -3.75279        0.12982       -2.12580
C         -2.91348       -0.96474       -2.53347
C         -2.27702       -1.76004       -1.52087
C         -1.46935       -2.85691       -1.91501
C         -1.31860       -3.18529       -3.25885
C         -1.95699       -2.41164       -4.25746
C         -2.72955       -1.31072       -3.89965
H         -4.62212        1.23693       -0.48597
H         -4.23960        0.73214       -2.91091
H         -2.28530       -2.25911        0.59182
H         -1.83630       -2.67846       -5.31865
H         -3.22599       -0.70186       -4.67199
H         -0.95639       -3.44048       -1.13815
H         -0.69156       -4.04226       -3.54706
H         -5.13991       -1.86037        1.91090
H         -5.00907        1.31918        2.52775
P          0.05019        0.97997       -0.14201
C         -0.97912        2.18562       -1.13493
C         -1.96100        2.99247       -0.25535
C         -2.93087        3.79323       -1.13638
H         -3.60964        4.38819       -0.49072
H         -3.57757        3.08379       -1.69720
C         -2.19926        4.69872       -2.13481
H         -2.92591        5.22372       -2.79006
H         -1.65033        5.49194       -1.57841
C         -1.19596        3.90049       -2.97634
H         -1.74421        3.17885       -3.62377
H         -0.63545        4.57184       -3.66066
H         -2.52195        2.32956        0.43515
H         -1.39296        3.69557        0.38751
H         -1.60852        1.50028       -1.74677
C         -0.21436        3.13029       -2.08138
H          0.35566        3.86275       -1.47194
H          0.53075        2.58266       -2.69247
C          1.42809        1.91900        0.70960
C          2.53420        2.47294       -0.20615
C          3.69599        2.99873        0.65139
H          4.49416        3.40895       -0.00369
H          4.14645        2.14595        1.20550
C          3.22779        4.05799        1.65763
H          4.07574        4.38935        2.29374
H          2.88353        4.95981        1.10212
C          2.07533        3.53435        2.52417
H          2.44160        2.70762        3.17346
H          1.70951        4.32865        3.20795
H          2.89249        1.69899       -0.91061
H          2.13289        3.30891       -0.81363
H          1.88989        1.12585        1.33708
C          0.91405        3.00823        1.66941
H          0.49028        3.85006        1.08065
H          0.11424        2.58932        2.31082
C          0.86043       -0.15466       -1.36364
C          0.43787       -0.11940       -2.71121
C          0.99079       -0.96809       -3.67708
H          0.63907       -0.90411       -4.71676
C          1.96318       -1.90474       -3.30654
H          2.39701       -2.58683       -4.05342
C          2.37605       -1.97022       -1.97157
H          3.14628       -2.69410       -1.66578
H         -0.35079        0.57545       -3.02391
C          1.85269       -1.10724       -0.98647
C          2.47500       -1.17560        0.37145
C          1.88641       -1.85964        1.46818
O          0.74499       -2.55232        1.22003
C          0.34940       -3.59376        2.15569
C         -0.32459       -4.68525        1.33419
H          0.33528       -5.03110        0.51475
H         -0.56436       -5.55087        1.98258
H         -1.27397       -4.32083        0.89444
C         -0.54380       -3.05264        3.26600
H         -1.52106       -2.71183        2.87293
H         -0.09718       -2.17272        3.76580
H         -0.72081       -3.84498        4.02149
H          1.28616       -4.00998        2.59065
C          2.51424       -1.82527        2.73786
H          2.03998       -2.29184        3.60828
C          3.75635       -1.19794        2.88217
C          4.41463       -0.62212        1.78906
H          5.40623       -0.17114        1.91893
H          4.23298       -1.17396        3.87371
C          3.77942       -0.63136        0.53092
O          4.33236       -0.11205       -0.60144
C          5.73550        0.21040       -0.66372
C          6.57718       -1.06403       -0.68880
H          7.65606       -0.81444       -0.73142
H          6.40329       -1.68533        0.21112
H          6.32246       -1.66830       -1.58287
H          6.00459        0.82878        0.22299
C          5.90430        1.05435       -1.92017
H          6.96532        1.34357       -2.05074
H          5.58164        0.47988       -2.81159
H          5.29340        1.97564       -1.86194

