%nprocs=48
%mem=350GB
%chk=3h-ptbu3-6cn01-rxt.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd         0.25514        0.49920       -0.99751
O         -0.01972       -0.08928       -2.86504
H         -0.75712        0.50378       -3.12046
O         -0.88214        2.32448       -1.17965
O         -0.72672        3.78205        0.76220
H         -0.32106        3.07049       -1.47057
B         -1.01795        2.44469        0.34986
O          0.13248        1.53598        0.86273
C         -2.39756        1.75730        0.81986
C         -3.39962        1.39373       -0.07811
C         -2.59103        1.43449        2.20124
C         -3.72487        0.77642        2.64893
C         -4.74721        0.38856        1.73183
C         -4.57933        0.71054        0.33474
C         -5.59571        0.31605       -0.58627
C         -6.72511       -0.36186       -0.16574
C         -6.89234       -0.68094        1.22098
C         -5.91387       -0.30646        2.14734
H         -1.80322        1.70435        2.92303
H         -3.85090        0.53252        3.71590
H         -3.26954        1.62019       -1.14845
H         -6.04594       -0.55328        3.21140
H         -5.46446        0.56093       -1.65169
H         -7.50296       -0.66332       -0.88139
H         -1.50554        4.20489        1.15820
H          0.90354        2.11241        1.03289
P          1.17886       -1.50141       -0.40837
C          2.84373       -1.23461        0.55003
C          2.74619        0.05141        1.39505
H          2.65932        0.93634        0.73455
H          3.68677        0.15697        1.97594
H          1.90218        0.05765        2.10384
C          3.98421       -0.99007       -0.45676
H          4.87598       -0.64703        0.10927
H          3.72415       -0.19812       -1.18664
H          4.27873       -1.90032       -1.00896
C          3.21699       -2.41725        1.46314
H          4.21517       -2.21587        1.90745
H          2.50876       -2.54374        2.30238
H          3.28613       -3.37594        0.91887
C         -0.14855       -2.25570        0.79472
C         -0.12077       -1.49708        2.13711
H         -0.21020       -0.40329        1.99526
H          0.77924       -1.71699        2.74129
H         -0.99980       -1.82690        2.72979
C         -1.54544       -2.00569        0.18083
H         -1.76323       -0.92322        0.09470
H         -2.30569       -2.44456        0.86142
H         -1.67825       -2.45988       -0.81520
C          0.03189       -3.76091        1.06095
H         -0.73448       -4.07429        1.80130
H          1.02096       -4.01031        1.48728
H         -0.12535       -4.37501        0.15508
C          1.50551       -2.72253       -1.87530
C          2.24939       -1.97731       -3.00728
H          1.70294       -1.06172       -3.30121
H          3.29325       -1.73035       -2.75396
H          2.28020       -2.65683       -3.88570
C          0.14346       -3.16396       -2.45017
H         -0.45453       -2.27718       -2.73726
H         -0.42940       -3.81185       -1.76144
H          0.34153       -3.75876       -3.36686
C          2.31938       -3.96618       -1.47170
H          3.35679       -3.72001       -1.17701
H          1.85443       -4.55450       -0.66033
H          2.38827       -4.62816       -2.36100
C         -8.06289       -1.38619        1.65407
N         -9.02328       -1.96598        2.00291

