%nprocs=48
%mem=350GB
%chk=3k-tbujohnphos-58-c2alt.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd         0.01287        0.95540       -0.27086
O         -1.42957        2.17489       -1.53361
H         -0.49531        2.49911       -1.83024
O          1.03994        2.23399       -1.54706
O          2.01848        2.53955       -3.68148
H         -1.70824        1.58020       -2.26400
B          2.03135        1.93006       -2.42886
O          3.07404        1.04460       -2.18103
C          1.66482        0.38003        0.65216
C          2.39095       -0.75602        0.29655
C          2.24305        1.28392        1.60093
C          3.46981        1.01691        2.19075
C          4.20690       -0.16095        1.86966
C          3.65625       -1.06235        0.88894
C          4.39186       -2.23365        0.54301
C          5.61225       -2.50944        1.14277
C          6.15293       -1.62259        2.11287
C          5.46312       -0.47146        2.46600
H          1.71094        2.20953        1.86281
H          3.89574        1.72615        2.91868
H          2.00978       -1.45678       -0.46194
H          7.12279       -1.85068        2.58029
H          5.87935        0.22260        3.21319
H          3.97206       -2.91851       -0.21079
H          6.16802       -3.41842        0.86608
H          2.83356        2.29354       -4.15376
H          3.00628        0.69928       -1.26839
P         -1.50872       -0.10205        1.09614
C         -2.89286       -0.91174        0.13439
C         -2.85519       -1.24915       -1.25364
C         -1.75543       -0.93567       -2.21049
C         -0.41502       -1.34045       -2.02699
C          0.56667       -1.02389       -2.98213
H          1.61141       -1.32187       -2.81449
C          0.23798       -0.27087       -4.11724
H          1.02039        0.02703       -4.82841
C         -1.09233        0.12604       -4.32345
H         -1.36172        0.71636       -5.21201
H         -0.15288       -1.95178       -1.15506
C         -2.08085       -0.21537       -3.38700
H         -3.12390        0.09892       -3.55021
C         -3.99030       -1.87804       -1.82579
H         -3.94234       -2.15551       -2.88926
C         -5.14329       -2.16232       -1.09042
C         -5.19488       -1.80243        0.26230
H         -6.09507       -1.99599        0.86459
H         -5.99838       -2.65788       -1.57432
C         -4.08238       -1.19102        0.84979
H         -4.14891       -0.90994        1.90629
C         -0.96945       -1.51896        2.29296
C         -0.28504       -2.58144        1.41580
H         -0.98424       -3.00269        0.66534
H          0.60552       -2.17717        0.90520
H          0.05169       -3.41849        2.06309
C          0.03647       -0.95258        3.31049
H          0.45890       -1.79291        3.90078
H         -0.44202       -0.25723        4.02716
H          0.87781       -0.42903        2.82293
C         -2.11535       -2.21962        3.04434
H         -2.70427       -1.54234        3.68715
H         -1.66112       -2.98600        3.70778
H         -2.80254       -2.74957        2.35867
C         -2.33658        1.35190        2.08780
C         -3.32791        2.04749        1.13650
H         -3.66283        2.99545        1.60870
H         -2.85625        2.29653        0.16583
H         -4.22670        1.43084        0.94422
C         -3.04619        0.99267        3.40431
H         -3.43573        1.93342        3.84823
H         -2.36500        0.54132        4.15013
H         -3.91813        0.32472        3.27285
C         -1.19560        2.33692        2.42083
H         -0.41226        1.87760        3.05421
H         -1.61903        3.20097        2.97565
H         -0.71116        2.71879        1.49909

