%nprocs=48
%mem=350GB
%chk=3h-ptbu3-6cne17-et2-h2o.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd        -0.20620        0.78780        0.19806
O         -0.45255        2.55276       -0.68613
H         -1.41958        2.67277       -0.75636
O         -2.10909       -1.25742        2.93254
H         -2.35928       -2.14340        2.58739
H         -2.70172       -0.63888        2.44423
O         -0.27198       -1.20224        1.14540
H         -0.87330       -1.12901        1.98058
B         -0.67405       -2.30916        0.43760
H          0.41258       -5.87021       -1.13046
C          0.58140       -4.80333       -0.88784
H          1.39000       -4.42108       -1.54057
H          0.93039       -4.73106        0.16106
H         -1.50048       -5.09365       -2.78900
O         -0.30868       -2.57504       -0.85578
C         -1.13899       -4.07005       -2.56645
C         -0.67820       -3.96130       -1.11725
H         -1.94789       -3.35125       -2.79096
H         -1.97157       -6.39636       -0.24134
H         -0.29032       -3.84995       -3.24291
H         -2.62179       -5.74062        1.29296
C         -1.80546       -5.63978        0.55112
C         -1.81582       -4.23395       -0.03938
H         -3.57794       -4.58052       -1.29980
O         -1.47294       -3.28334        1.01896
C         -3.21795       -3.86900       -0.53195
H         -0.85093       -5.86421        1.06067
H         -3.24514       -2.84547       -0.95031
H         -3.92192       -3.90235        0.32289
C         -2.20589        0.61627        0.13179
C         -3.04596        1.10905        1.13769
C         -2.81246       -0.06536       -0.97329
C         -4.18499       -0.25881       -1.04392
C         -5.04723        0.20620       -0.00629
C         -4.46225        0.91354        1.10828
C         -5.32287        1.38756        2.14467
C         -6.68807        1.17282        2.09991
C         -7.26815        0.46622        0.99675
C         -6.45102       -0.00230       -0.03724
H         -2.17088       -0.44475       -1.78445
H         -4.63281       -0.77976       -1.90612
H         -2.62345        1.68244        1.98096
H         -6.89838       -0.54048       -0.88624
H         -4.87861        1.93255        2.99211
H         -7.34267        1.53975        2.90308
P          2.25070        1.03985        0.05422
C          2.93829        2.72646        0.74062
C          2.89272        2.65348        2.27968
H          1.89144        2.34317        2.64150
H          3.09421        3.66781        2.68414
H          3.65509        1.97657        2.70706
C          1.99278        3.87786        0.33496
H          0.92479        3.62064        0.47023
H          2.24891        4.76361        0.95503
H          2.11395        4.17104       -0.72176
C          4.36329        3.08531        0.28335
H          4.65672        4.04171        0.76807
H          5.12169        2.33048        0.55590
H          4.41526        3.25222       -0.80917
C          3.23266       -0.39193        0.93866
C          2.64014       -0.60388        2.35004
H          2.81874        0.24438        3.03087
H          1.55507       -0.79756        2.30664
H          3.12635       -1.49595        2.80120
C          4.74967       -0.16989        1.07358
H          4.99414        0.66302        1.75903
H          5.20345       -1.08706        1.50822
H          5.24768        0.01814        0.10513
C          2.99819       -1.70492        0.16457
H          1.92648       -1.90393       -0.01311
H          3.40105       -2.54414        0.77172
H          3.52162       -1.72805       -0.80879
C          2.62432        0.94406       -1.84589
C          2.19311        2.28029       -2.48385
H          1.17780        2.57779       -2.14812
H          2.90605        3.09831       -2.26878
H          2.17540        2.14639       -3.58689
C          1.70031       -0.14064       -2.44405
H          0.63574        0.08715       -2.23154
H          1.90048       -1.15816       -2.06848
H          1.83891       -0.15068       -3.54688
C          4.08459        0.64780       -2.22606
H          4.79145        1.38945       -1.81019
H          4.41621       -0.36011       -1.91244
H          4.17757        0.68889       -3.33299
C         -8.68300        0.24071        0.95763
N         -9.84325        0.05796        0.93126

