%nprocs=48
%mem=350GB
%chk=3f-pcy2tbu-18-t3-boh3.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd        -0.40768       -0.34975       -0.12651
O         -0.72794       -1.37928       -1.79471
H         -1.69984       -1.48146       -1.83477
O         -0.27929        0.83424        1.73622
H         -0.32642        1.77130        1.37831
H         -1.18846        0.67771        2.07328
O         -0.46126        3.23650        0.59222
H         -0.42500        4.08613        1.06827
B         -0.67431        3.44451       -0.78149
O         -0.81467        4.75238       -1.17909
O         -0.71659        2.41689       -1.66241
C         -2.40555       -0.24156        0.16653
C         -3.27979        0.40851       -0.70479
C         -2.94683       -0.80885        1.36737
C         -4.29764       -0.70142        1.67707
C         -5.19740       -0.02698        0.80212
C         -4.67365        0.53645       -0.41930
C         -5.57042        1.21153       -1.30037
C         -6.91881        1.32568       -0.99618
C         -7.43348        0.76876        0.20689
C         -6.58865        0.10677        1.08547
H         -2.28796       -1.36956        2.05394
H         -4.69467       -1.15143        2.60184
H         -2.90577        0.86252       -1.63708
H         -8.50548        0.86427        0.43751
H         -6.98210       -0.32776        2.01826
H         -5.16860        1.64066       -2.23196
H         -7.59744        1.84805       -1.68796
H         -0.94982        4.80374       -2.14196
H         -0.59949        1.50856       -1.25344
P          1.96448       -0.66600       -0.45747
C          2.51634       -0.67232       -2.29889
C          1.65195        0.37553       -3.03066
H          1.73900        1.39008       -2.59701
H          1.97218        0.43280       -4.09342
H          0.58711        0.07260       -2.99338
C          2.19448       -2.05224       -2.90517
H          2.86578       -2.84939       -2.52760
H          2.33931       -1.99679       -4.00531
H          1.13777       -2.32492       -2.71053
C          4.00959       -0.35732       -2.48729
H          4.66780       -1.07410       -1.95739
H          4.25496       -0.42291       -3.56903
H          4.27766        0.66504       -2.15623
C          2.34901       -2.38619        0.19421
C          1.53440       -2.72281        1.46213
H          0.46220       -2.49329        1.27825
H          1.84913       -2.07676        2.30854
C          1.71350       -4.19529        1.85537
H          1.14270       -4.41199        2.78278
C          3.19370       -4.55463        2.03593
H          3.60767       -3.97758        2.89402
H          3.30617       -5.62758        2.29849
C          3.99963       -4.22596        0.77350
H          5.07519       -4.45835        0.92335
H          3.65185       -4.87696       -0.06005
H          1.27465       -4.83874        1.05991
C          3.83330       -2.75564        0.35781
H          4.29911       -2.10428        1.12963
H          4.38781       -2.56706       -0.58370
H          1.92337       -3.02263       -0.61170
C          3.13946        0.51499        0.41657
H          4.17432        0.22875        0.12378
C          3.02636        0.41043        1.95174
H          3.30299       -0.60832        2.28661
H          1.96825        0.56485        2.25018
C          3.91819        1.43699        2.66516
H          4.98752        1.20445        2.45823
H          3.78643        1.34501        3.76390
C          3.62040        2.86636        2.20152
C          3.77272        2.97889        0.68173
H          4.83685        2.80069        0.40644
H          3.52908        4.00563        0.33536
H          4.28111        3.59353        2.71871
H          2.57555        3.13121        2.48278
C          2.88167        1.96419       -0.04681
H          3.03138        2.05477       -1.14060
H          1.81645        2.21842        0.13871

