%nprocs=48
%mem=350GB
%chk=9f-pcpr3-39-t2-lig.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd        -0.65749       -0.93822       -0.53883
O         -0.82795       -2.79210        0.14783
H          0.06117       -3.18437        0.03254
O         -0.45642        1.07976       -1.40938
O         -0.98040        0.11275       -3.50606
H         -0.43892        1.88451       -0.84666
B         -0.79555        1.23580       -2.75151
O         -0.91207        2.50614       -3.25189
C          1.33241       -1.24703       -0.69089
C          2.04551       -1.65737        0.43485
C          2.05626       -0.97036       -1.89171
C          3.43981       -1.08425       -1.93990
C          4.18723       -1.47412       -0.79036
C          3.46868       -1.76887        0.42650
C          4.21075       -2.13224        1.59026
C          5.59604       -2.20397        1.55976
C          6.30235       -1.91951        0.35885
C          5.60998       -1.56440       -0.79012
H          1.51866       -0.65171       -2.79900
H          3.98225       -0.86387       -2.87385
H          1.51740       -1.86943        1.37932
H          7.40123       -1.98117        0.34448
H          6.15317       -1.34015       -1.72203
H          3.65894       -2.35557        2.51758
H          6.15366       -2.48427        2.46665
H         -0.89223       -0.67863       -2.91281
H         -1.14611        2.48692       -4.19659
P         -3.00450       -0.57995       -0.18293
C         -3.61648        1.08505       -0.66560
C         -3.99917        1.40008       -2.09735
H         -3.65921        2.35981       -2.51582
H         -3.99863        0.56709       -2.81754
C         -5.05529        1.39693       -1.02132
H         -5.46541        2.36095       -0.68147
H         -5.78639        0.57347       -1.02418
H         -3.06801        1.87502       -0.12434
C         -4.15392       -1.75045       -0.98164
H         -5.21871       -1.61445       -0.72317
C         -3.83972       -2.28099       -2.37159
H         -4.69315       -2.44177       -3.04889
H         -2.93200       -1.90375       -2.86976
C         -3.66882       -3.17757       -1.18000
H         -4.41097       -3.97416       -1.01613
H         -2.63975       -3.39383       -0.83641
C         -3.44346       -0.67376        1.58740
H         -4.49205       -0.41854        1.82136
C         -2.38664       -0.28517        2.60844
H         -1.40015        0.01820        2.21603
H         -2.71972        0.26299        3.50374
C         -2.76444       -1.73069        2.43864
H         -2.03455       -2.38258        1.92457
H         -3.37989       -2.20822        3.21675
P          0.90042        1.74550        1.57176
C         -0.54188        2.90310        1.33702
C         -0.48682        4.40240        1.48798
H         -1.34701        4.90588        1.95672
H          0.48535        4.87028        1.71138
C         -0.67315        3.81172        0.11156
H         -1.65843        3.90773       -0.37290
H          0.17858        3.88841       -0.58426
H         -1.48292        2.42786        1.66772
C          1.23715        1.97387        3.36564
H          1.25209        3.01653        3.73215
C          0.76721        0.91196        4.34446
H          0.43290        1.25072        5.33755
H          0.20360        0.05444        3.94316
C          2.22768        1.01418        4.00170
H          2.92281        1.42496        4.75020
H          2.66557        0.23220        3.35903
C          2.27395        2.73877        0.85465
H          2.41113        3.75691        1.26324
C          2.66073        2.54110       -0.60463
H          2.09050        1.80531       -1.19296
H          2.98091        3.43236       -1.16718
C          3.55215        2.00837        0.47946
H          3.58337        0.91683        0.61926
H          4.50390        2.52251        0.68389

