%nprocs=48
%mem=350GB
%chk=3e-pcy3-39-t2-lig.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd        -1.46561       -0.86108        0.12364
O         -2.91466       -1.53349        1.32076
H         -2.72268       -2.48617        1.42170
O          0.09702       -0.14411       -1.21313
O         -0.98277       -1.27240       -3.02252
H          1.05637        0.05076       -0.83704
B          0.06949       -0.53970       -2.53911
O          1.11664       -0.16912       -3.35604
C         -0.24532       -2.34978        0.76448
C          0.71421       -2.94278       -0.05683
C         -0.27759       -2.74090        2.14271
C          0.64762       -3.63254        2.66944
C          1.66452       -4.20359        1.85033
C          1.67928       -3.86606        0.44682
C          2.67953       -4.45139       -0.38608
C          3.63790       -5.30669        0.13883
C          3.63405       -5.62258        1.52560
C          2.66295       -5.08536        2.35889
H         -1.04404       -2.30103        2.80116
H          0.61753       -3.89771        3.73922
H          0.76576       -2.70271       -1.13132
H          4.39927       -6.30052        1.93338
H          2.64937       -5.33379        3.43219
H          2.67816       -4.20493       -1.45996
H          4.40440       -5.74574       -0.51855
H         -1.58720       -1.48322       -2.26925
H          0.99672       -0.53487       -4.25032
P         -3.06097        0.88066       -0.30503
C         -4.66936        0.24361       -1.06379
C         -4.34408       -0.88826       -2.06268
C         -5.60263       -1.44230       -2.74190
H         -5.32375       -2.26209       -3.43691
C         -6.62154       -1.93064       -1.70735
H         -6.19446       -2.80077       -1.16051
H         -7.54485       -2.29335       -2.20644
C         -6.95186       -0.82081       -0.70347
H         -7.65544       -1.19284        0.07097
H         -7.48032        0.00412       -1.23421
H         -6.06437       -0.64485       -3.36785
H         -3.84285       -1.69939       -1.48715
H         -3.61794       -0.54787       -2.82743
C         -5.69185       -0.26061       -0.02709
H         -5.19572       -1.04412        0.58643
H         -5.98479        0.55519        0.66381
H         -5.11931        1.09860       -1.62088
C         -3.55451        1.56121        1.36748
C         -2.36387        1.69750        2.33517
H         -1.79558        0.74496        2.34411
C         -2.85366        2.05257        3.74477
H         -1.98798        2.16977        4.43085
H         -3.45153        1.20131        4.14024
C         -3.71435        3.32242        3.74126
H         -4.08582        3.54642        4.76344
H         -3.08235        4.18949        3.44180
C         -4.88934        3.19865        2.76199
H         -5.58197        2.40433        3.12046
H         -5.47799        4.14013        2.73714
H         -1.66578        2.48647        1.97992
H         -4.16395        0.72214        1.76656
C         -4.40947        2.83739        1.34727
H         -3.80532        3.68127        0.94540
H         -5.27811        2.72282        0.66434
C         -2.64875        2.37590       -1.36348
H         -3.48159        3.10380       -1.22922
C         -2.57268        2.01399       -2.85942
H         -3.55415        1.63937       -3.21382
H         -1.85598        1.17645       -2.99806
C         -2.13934        3.20661       -3.72311
H         -2.93044        3.98954       -3.68867
H         -2.06014        2.88949       -4.78429
C         -0.81671        3.80741       -3.23536
C         -0.92318        4.21465       -1.76217
H         -1.67463        5.03002       -1.66028
H          0.03988        4.63345       -1.40052
H         -0.00968        3.04904       -3.34693
H         -0.52568        4.67597       -3.86296
C         -1.33634        3.02632       -0.88344
H         -1.43315        3.35258        0.17157
H         -0.53693        2.25514       -0.90226
P          2.87360        0.44147       -0.10150
C          2.71636        0.73541        1.73885
C          1.46445        1.60807        1.97494
C          1.16383        1.79058        3.46722
H          1.99547        2.35359        3.94862
H          0.25171        2.41007        3.59380
C          0.99830        0.43251        4.15763
H          0.77785        0.56556        5.23767
H          0.12330       -0.09395        3.71516
C          2.25024       -0.43015        3.96357
H          3.10887        0.04705        4.48886
H          2.11110       -1.42931        4.42706
H          1.57709        2.59495        1.47718
H          0.59146        1.11458        1.49049
H          3.61260        1.27681        2.11486
C          2.59280       -0.60942        2.47879
H          3.52946       -1.19486        2.38245
H          1.79611       -1.21276        1.99682
C          3.62108        2.00738       -0.84031
C          2.55157        2.74253       -1.67256
H          2.10165        2.04024       -2.40398
C          3.12329        3.97496       -2.38384
H          3.85785        3.64179       -3.15171
H          2.31599        4.50274       -2.93465
C          3.81939        4.92273       -1.39993
H          4.25827        5.79031       -1.93603
H          3.06191        5.33975       -0.69769
C          4.89828        4.18766       -0.59452
H          5.70496        3.85248       -1.28512
H          5.37754        4.87436        0.13482
H          1.72605        3.05770       -0.99611
H          4.39026        1.62696       -1.55142
C          4.32275        2.96522        0.13712
H          5.12393        2.43700        0.69334
H          3.59216        3.31655        0.89845
C          4.20889       -0.85013       -0.30610
C          4.37247       -1.21214       -1.79611
H          3.38836       -1.48612       -2.23072
C          5.39515       -2.34117       -1.99067
H          4.99343       -3.27062       -1.53265
H          5.52660       -2.55069       -3.07331
C          6.74256       -2.00837       -1.33786
H          7.45073       -2.85474       -1.46011
H          7.20151       -1.13854       -1.86108
C          6.56727       -1.66549        0.14668
H          6.19552       -2.56349        0.68933
H          7.54331       -1.40045        0.60525
H          4.71438       -0.31464       -2.36055
H          3.78203       -1.74437        0.20218
C          5.56483       -0.51725        0.33749
H          5.43913       -0.29146        1.41692
H          5.97726        0.40398       -0.13208

