%nprocs=48
%mem=350GB
%chk=3g-ptbu2cy-16-t2-h2o.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd         0.18766        0.10344        0.27197
O          0.70240        2.21589       -0.03800
H          1.13321        2.70735        0.68688
B          1.38702        2.43074       -1.26751
O          1.21466        1.65570       -2.35467
O          2.18832        3.54665       -1.27277
O         -0.03897       -1.88415       -0.04829
H          0.81094       -2.27509        0.23984
O          0.28424       -0.89512       -2.51098
H          0.76903       -1.48842       -3.11214
H          0.19071       -1.40595       -1.62906
C          2.16926       -0.21328        0.49815
C          3.00216       -0.62887       -0.53742
C          2.75254        0.06067        1.77610
C          4.11900       -0.07118        1.98619
C          4.98719       -0.48700        0.93423
C          4.41218       -0.77272       -0.35796
C          5.27570       -1.18525       -1.41562
C          6.64202       -1.31435       -1.21256
C          7.20711       -1.03532        0.06179
C          6.39457       -0.63040        1.11105
H          2.11020        0.37482        2.61616
H          4.55228        0.14071        2.97746
H          2.58027       -0.84059       -1.53271
H          8.29221       -1.14152        0.21274
H          6.82770       -0.41230        2.10028
H          4.83461       -1.39967       -2.40218
H          7.29454       -1.63433       -2.03950
H          0.81316        0.73538       -2.28630
H          2.65655        3.61854       -2.12332
P         -2.21923        0.38370        0.38074
C         -3.01505        1.84388       -0.57212
C         -2.40004        1.83799       -1.98835
H         -2.78231        2.71918       -2.54737
H         -2.66620        0.93479       -2.56506
H         -1.29642        1.90258       -1.96431
C         -2.61775        3.17318        0.09603
H         -2.95990        4.01116       -0.54837
H         -1.51864        3.25711        0.19949
H         -3.08671        3.31190        1.08873
C         -4.54553        1.74715       -0.68135
H         -4.93030        2.64024       -1.22022
H         -4.85959        0.85682       -1.25884
H         -5.04445        1.71234        0.30523
C         -2.51701        0.55426        2.27543
C         -1.46673        1.54026        2.83228
H         -1.58671        2.56769        2.44336
H         -1.55922        1.58421        3.93871
H         -0.44079        1.19067        2.58724
C         -2.19531       -0.82797        2.88373
H         -2.95702       -1.59344        2.64586
H         -2.15115       -0.73404        3.98968
H         -1.21123       -1.19826        2.52885
C         -3.91981        1.01746        2.70078
H         -4.13473        2.05244        2.37147
H         -4.72445        0.36314        2.31699
H         -3.98531        1.00888        3.81055
C         -3.04631       -1.22495       -0.13290
C         -2.94594       -1.48452       -1.65053
H         -1.94433       -1.21390       -2.03631
H         -3.68619       -0.84952       -2.18613
C         -3.24905       -2.95617       -1.96365
H         -3.17309       -3.13280       -3.05751
C         -4.63323       -3.36630       -1.44822
H         -5.41209       -2.80881       -2.01682
H         -4.82121       -4.44431       -1.63777
C         -4.78424       -3.05188        0.04464
H         -5.81008       -3.29647        0.39333
H         -4.09179       -3.70107        0.62648
H         -2.46700       -3.58709       -1.48591
C         -4.46164       -1.58147        0.36105
H         -5.21309       -0.92662       -0.12847
H         -4.56646       -1.41581        1.45000
H         -2.32251       -1.93278        0.33283

