%nprocs=48
%mem=350GB
%chk=3k-tbujohnphos-43-t3-lig.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd        -1.06894       -0.86726        0.78868
O         -1.78274       -1.74340        2.44826
H         -1.20766       -2.52047        2.59148
O         -0.01581       -0.03736       -0.95046
H          0.83687        0.43158       -0.61348
C          0.47893       -2.12893        0.93867
C          0.78077       -2.99717       -0.11377
C          1.27186       -2.21340        2.12705
C          2.33648       -3.09889        2.22548
C          2.66722       -3.97633        1.15169
C          1.86075       -3.93121       -0.04443
C          2.18534       -4.80811       -1.12192
C          3.26107       -5.68101       -1.03319
C          4.05880       -5.71980        0.14337
C          3.76311       -4.88551        1.21253
H          1.03065       -1.55847        2.97882
H          2.94840       -3.13263        3.14179
H          0.16688       -3.00561       -1.03351
H          4.91025       -6.41453        0.20324
H          4.37738       -4.91031        2.12646
H          1.56781       -4.77505       -2.03365
H          3.50059       -6.34699       -1.87634
P         -3.26276        0.32275        0.60990
C         -3.17537        1.80728       -0.60606
C         -2.90834        1.16866       -1.98351
H         -3.79482        0.62168       -2.35766
H         -2.67051        1.97114       -2.71468
H         -2.04656        0.47552       -1.94874
C         -1.93561        2.60167       -0.15465
H         -1.72500        3.39834       -0.89893
H         -2.10204        3.09693        0.82279
H         -1.04288        1.95885       -0.07019
C         -4.33966        2.80521       -0.71791
C         -3.87909        0.85908        2.35833
C         -4.82796        2.06503        2.38329
H         -4.30332        3.00872        2.13911
H         -5.68660        1.96077        1.69633
H         -5.22906        2.17466        3.41424
C         -2.61713        1.19720        3.18012
H         -2.04809        2.04094        2.74105
H         -1.95266        0.31471        3.25499
H         -2.92799        1.50181        4.20303
C         -4.56656       -0.36957        2.98238
C         -4.41944       -1.01781       -0.05005
C         -5.60959       -0.94297       -0.83367
C         -6.45383        0.26454       -1.05490
C         -7.16487        0.83709        0.02022
C         -8.02725        1.92375       -0.18803
H         -8.56825        2.36207        0.66451
C         -8.20493        2.44550       -1.47913
H         -8.87671        3.30177       -1.64222
C         -7.53488        1.85695       -2.56414
H         -7.67995        2.25130       -3.58147
H         -7.04684        0.40669        1.02495
C         -6.67476        0.76951       -2.35493
H         -6.14626        0.31111       -3.20474
C         -6.13121       -2.12704       -1.41029
H         -7.03856       -2.04168       -2.02776
C         -5.56419       -3.38344       -1.17669
H         -6.00309       -4.28203       -1.63686
C         -4.45793       -3.47545       -0.32345
H         -4.01212       -4.45196       -0.07983
C         -3.89580       -2.31086        0.21261
H         -3.02204       -2.39280        0.88249
P          2.66977        1.46397       -0.11451
C          2.70908        2.94728       -1.33003
C          1.23878        3.39728       -1.44162
C          3.57457        4.17616       -1.01523
H          4.62073        3.92300       -0.78294
H          3.58103        4.84154       -1.90583
H          3.16437        4.76462       -0.17531
C          3.13549        2.32506       -2.67386
H          2.54744        1.41317       -2.90717
H          4.20715        2.05088       -2.68242
H          2.96144        3.05921       -3.48928
C          2.59094        1.96436        1.74562
C          1.09355        1.92199        2.11582
C          3.32590        0.86332        2.52914
H          2.96059       -0.14739        2.26124
H          3.14751        1.01068        3.61591
H          4.41880        0.87831        2.35384
C          3.14522        3.34837        2.10735
H          3.13343        3.46294        3.21315
H          2.51559        4.15867        1.69169
H          4.18110        3.50646        1.75917
C          4.17611        0.38934       -0.39814
C          5.55588        0.70498       -0.58379
C          6.17838        2.05272       -0.43596
C          6.32169        2.66084        0.82742
C          6.96534        3.90085        0.95930
H          7.06217        4.36128        1.95437
C          7.49000        4.54760       -0.17035
H          7.98961        5.52269       -0.06773
C          7.38994        3.93374       -1.42935
H          7.81170        4.42605       -2.31879
H          5.93888        2.14199        1.71711
C          6.74839        2.69375       -1.55855
H          6.66930        2.21390       -2.54611
C          6.45406       -0.32862       -0.93787
H          7.51270       -0.06493       -1.08506
C          6.04151       -1.65858       -1.07784
H          6.77087       -2.43765       -1.34704
C          4.69762       -1.98429       -0.86375
H          4.34566       -3.02084       -0.95950
C          3.78965       -0.96750       -0.53958
H          2.73142       -1.23328       -0.39818
H         -5.30993        2.33282       -0.92471
H         -4.11829        3.48933       -1.56561
H         -4.44217        3.43291        0.18380
H         -4.82655       -0.13269        4.03672
H         -3.88208       -1.24073        2.97847
H         -5.50149       -0.63998        2.45210
H          0.51067        2.68221        1.55893
H          0.97196        2.14180        3.19835
H          0.62845        0.93183        1.91816
H          1.15749        4.20760       -2.19777
H          0.85552        3.80161       -0.48322
H          0.57578        2.56742       -1.75283
H          0.35568       -0.85342       -1.34672

