%nprocs=48
%mem=350GB
%chk=unlig-pdoh2-01-rxt.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd        -2.60512        0.01326        0.03770
O         -2.46679       -1.57779       -1.23968
O         -2.66275       -3.73486       -0.12848
H         -3.35073       -1.92370       -1.48237
B         -1.92156       -2.52461       -0.11928
O         -2.38678       -1.69994        1.13849
C         -0.32291       -2.55890       -0.16999
C          0.41311       -1.65417       -0.93517
C          0.40357       -3.50700        0.61859
C          1.79009       -3.54457        0.62217
C          2.54813       -2.62211       -0.15797
C          1.83772       -1.64850       -0.95051
C          2.58386       -0.70313       -1.71467
C          3.96961       -0.72154       -1.71010
C          4.66965       -1.69040       -0.94037
C          3.97388       -2.61856       -0.17945
H         -0.15318       -4.22547        1.24401
H          2.32803       -4.28690        1.23368
H         -0.10984       -0.90898       -1.55574
H          5.77047       -1.69582       -0.94402
H          4.51476       -3.36606        0.42262
H          2.03511        0.05258       -2.29787
H          4.53294        0.02214       -2.29324
H         -3.25399       -2.06666        1.41297
H         -2.09350       -4.49418       -0.33741
B         -2.00636        2.58136        0.15695
O         -2.50294        1.74409       -1.05534
H         -3.39500        2.08700       -1.27693
C         -0.39683        2.59523        0.21634
C          0.35048        1.58652        0.82725
H         -0.14755        0.71786        1.29515
C          1.77475        1.59204        0.86486
C          2.52185        0.55788        1.50156
H          1.97780       -0.27951        1.96536
C          3.90695        0.59422        1.52006
H          4.47179       -0.21599        2.00387
C          4.60387        1.66343        0.89388
H          5.70446        1.67735        0.90882
C          3.90594        2.68118        0.26043
H          4.44399        3.50951       -0.22723
C          2.48036        2.67707        0.23011
C          1.71690        3.70096       -0.40414
H          2.25076        4.52970       -0.89650
C          0.33095        3.65861       -0.40680
H         -0.22688        4.46263       -0.91627
O         -2.69870        3.81229        0.14260
H         -2.11475        4.55481        0.36773
O         -2.59657        1.63260        1.28025
H         -1.93992        1.53025        1.99896

