%nprocs=48
%mem=350GB
%chk=2j-ptbu3-16-t2-h2o.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd        -0.05042       -0.27759       -0.10530
O          0.29523        1.15856        1.53124
H          0.72588        0.79309        2.32830
B          1.02887        2.29584        1.07835
O          0.95210        2.78375       -0.17402
O          1.77116        2.90183        2.06259
O          0.08926       -1.14106       -1.93202
H          0.99291       -1.51591       -1.96624
O          0.40079        1.47134       -2.46621
H         -0.27580        1.77515       -3.09645
H          0.26613        0.46184       -2.38905
C          1.92721       -0.58655        0.05704
C          2.86487        0.02667       -0.76973
C          2.38534       -1.41693        1.12776
C          3.74219       -1.60332        1.35823
C          4.72001       -0.97581        0.53190
C          4.26824       -0.14408       -0.55707
C          5.24150        0.48957       -1.38530
C          6.59791        0.31163       -1.15457
C          7.04220       -0.51001       -0.08277
C          6.12070       -1.13955        0.74146
H          1.65582       -1.92906        1.77766
H          4.08168       -2.24882        2.18472
H          2.54495        0.67646       -1.60044
H          8.12074       -0.64483        0.09072
H          6.45974       -1.77700        1.57356
H          4.89265        1.12540       -2.21429
H          7.33663        0.80715       -1.80318
H          0.63332        2.21767       -0.94456
H          2.29046        3.63382        1.68499
P         -2.52901       -0.19148       -0.06174
C         -3.35743       -1.29033       -1.43296
C         -2.91341       -2.74583       -1.18163
H         -3.38340       -3.19562       -0.28751
H         -1.81045       -2.81282       -1.09790
H         -3.22102       -3.35966       -2.05465
C         -2.77961       -0.90663       -2.81477
H         -1.67577       -0.98275       -2.81453
H         -3.08985        0.09476       -3.15624
H         -3.17210       -1.63596       -3.55608
C         -4.89245       -1.21654       -1.50668
H         -5.39618       -1.46222       -0.55494
H         -5.24519       -0.22178       -1.83994
H         -5.24200       -1.94946       -2.26568
C         -2.94591       -0.98078        1.67075
C         -1.92435       -2.11603        1.91047
H         -2.04784       -2.50079        2.94566
H         -0.88369       -1.74245        1.79384
H         -2.04214       -2.96555        1.21668
C         -2.69828        0.06381        2.77777
H         -1.70120        0.53422        2.68947
H         -2.74689       -0.45166        3.76066
H         -3.46111        0.86383        2.79347
C         -4.37009       -1.53644        1.83635
H         -4.57330       -2.38962        1.16301
H         -5.14965       -0.76934        1.67201
H         -4.48846       -1.91027        2.87658
C         -3.34423        1.56700       -0.13651
C         -3.31758        2.04764       -1.60048
H         -3.55095        3.13327       -1.62037
H         -2.31069        1.91095       -2.04251
H         -4.06355        1.53801       -2.23708
C         -2.45616        2.55969        0.64205
H         -2.92073        3.56679        0.57404
H         -1.44539        2.63078        0.20132
H         -2.34618        2.31601        1.71105
C         -4.78490        1.64384        0.39786
H         -5.17081        2.67462        0.24217
H         -5.47328        0.95133       -0.11883
H         -4.84216        1.44090        1.48369

