%nprocs=48
%mem=350GB
%chk=3h-ptbu3-46-ub-ref.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd         1.48018       -1.04981        0.45696
O         -0.02050        0.07731        1.41063
H          0.02404       -0.27817        2.32299
O          2.51402       -2.46150       -0.50388
H          2.41717       -3.20933        0.12115
P          3.16654        0.46257        0.04632
Pd        -1.47980       -1.12226        0.51238
O          0.04699       -2.50854        0.88871
H         -0.03359       -3.08337        0.09498
O         -2.39060       -2.57639       -0.51336
H         -2.68145       -3.19853        0.18295
P         -3.21064        0.31465        0.08089
C          3.05777        2.06558        1.14641
C          3.33170        1.63824        2.60281
C          1.62297        2.62936        1.12451
C          4.01187        3.20343        0.73903
H          3.90854        4.02356        1.48198
H          3.74022        3.63081       -0.24503
H          5.07554        2.91390        0.71106
H          2.67134        0.80111        2.90682
H          3.11302        2.49906        3.26942
H          4.38022        1.34082        2.78408
H          0.86919        1.84298        1.31378
H          1.37648        3.13586        0.17695
H          1.54337        3.39245        1.92861
C          3.09297        0.97670       -1.81588
C          4.37346        1.65125       -2.33945
C          1.90395        1.93470       -2.01870
C          2.78157       -0.28415       -2.64916
H          2.70106        0.01941       -3.71499
H          1.82200       -0.74169       -2.33941
H          3.55161       -1.06781       -2.56959
H          5.24677        0.97419       -2.32531
H          4.63647        2.56745       -1.78002
H          4.20878        1.94634       -3.39808
H          0.97626        1.53656       -1.56237
H          1.72207        2.03747       -3.10936
H          2.09372        2.94874       -1.62098
C         -4.83199       -0.20796        1.00564
C         -6.10814        0.43458        0.43051
C         -4.70769        0.17231        2.49340
C         -4.97075       -1.74314        0.96860
H         -4.12599       -2.22258        1.49999
H         -5.01367       -2.15831       -0.05090
H         -5.90924       -2.01556        1.49761
H         -6.32739        0.09311       -0.59744
H         -6.07121        1.53862        0.42847
H         -6.97047        0.13407        1.06368
H         -4.79596        1.25983        2.66947
H         -3.75420       -0.18722        2.92931
H         -5.53613       -0.31700        3.04805
C         -3.53049        0.27299       -1.83999
C         -4.32298       -0.99622       -2.21690
C         -2.15045        0.14470       -2.52506
C         -4.27662        1.49837       -2.39646
H         -5.27053        1.64062       -1.93199
H         -4.44436        1.33311       -3.48221
H         -3.70613        2.44061       -2.29975
H         -5.37977       -0.95697       -1.89290
H         -3.82674       -1.89432       -1.79743
H         -4.32769       -1.07325       -3.32516
H         -2.31130        0.08081       -3.62259
H         -1.63166       -0.77763       -2.19938
H         -1.48213        1.00268       -2.33569
C          4.88985       -0.37926        0.41049
C          5.28531       -1.32588       -0.74222
H          5.56846       -0.78909       -1.66634
H          6.18035       -1.89680       -0.41371
H          4.46120       -2.03747       -0.94493
C          6.05043        0.60483        0.64001
H          6.97962        0.01003        0.77086
H          5.93382        1.22005        1.55118
H          6.21494        1.27849       -0.22222
C          4.70483       -1.26893        1.65964
H          4.40589       -0.71047        2.56377
H          5.67010       -1.77396        1.87806
H          3.94169       -2.04305        1.45638
C         -2.79702        2.14315        0.59234
C         -2.21690        2.17238        2.02355
H         -1.37163        1.46857        2.12083
H         -1.82675        3.19596        2.20999
H         -2.96577        1.96183        2.80410
C         -1.67075        2.62567       -0.34216
H         -0.82660        1.91126       -0.34570
H         -1.28518        3.59431        0.03979
H         -2.00752        2.79203       -1.38120
C         -3.97999        3.12649        0.53340
H         -4.74579        2.90336        1.30030
H         -4.47508        3.16766       -0.45229
H         -3.59430        4.14510        0.75405

