%nprocs=48
%mem=350GB
%chk=3o-tbubrettphos-67-t3ob-2h2o.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd         0.76106        1.28480       -0.12061
O          1.10144        2.24231       -1.95247
B          2.33856        2.55388       -1.52618
O          2.86383        1.68349       -0.52459
O          3.13390        3.60305       -1.96031
O          1.06488        0.76279        1.83107
H          1.37449       -0.16714        1.76501
O          3.03756        2.36516        1.93501
H          2.25183        1.66700        2.03053
H          3.66772        2.21164        2.65959
H          3.24065        2.06076        0.33430
H          2.63425        4.11889       -2.62013
O          1.90846        4.62018        0.61907
H          2.50069        4.61962       -0.15862
H          2.33425        3.95740        1.21175
P         -1.49318        1.13293        0.02009
C         -2.03139        2.08991        1.61904
C         -0.92303        3.12500        1.91344
H         -1.25980        3.75746        2.76252
H          0.01693        2.62920        2.20487
H         -0.70605        3.79264        1.05870
C         -2.07272        1.05219        2.75242
H         -2.22805        1.58210        3.71649
H         -1.10723        0.51644        2.81195
H         -2.89896        0.32746        2.62195
C         -3.36353        2.85312        1.53551
H         -3.53412        3.32924        2.52431
H         -3.33416        3.66902        0.78890
H         -4.22231        2.19960        1.32272
C         -2.13445       -0.64094        0.02099
C         -1.30245       -1.77537       -0.21543
C          0.19050       -1.82784       -0.03274
C          0.67532       -2.12311        1.27684
C         -0.26261       -2.38458        2.45689
C         -0.50343       -3.89791        2.62333
H         -0.86731       -4.35780        1.68668
H         -1.24355       -4.09215        3.42687
H          0.44181       -4.41060        2.89938
C          0.22260       -1.78071        3.78512
H          1.11654       -2.30964        4.17602
H          0.47553       -0.70817        3.67475
H         -0.56879       -1.87424        4.55610
H         -1.23580       -1.91185        2.21610
C          2.06657       -2.22382        1.47440
H          2.45008       -2.43863        2.48446
C          2.98967       -2.05324        0.42793
C          4.48346       -2.05432        0.71607
C          5.29021       -2.89734       -0.28196
H          6.35715       -2.94281        0.01742
H          5.25652       -2.46157       -1.30174
H          4.90362       -3.93434       -0.34415
H          4.61332       -2.50803        1.72378
C          5.01619       -0.61045        0.78122
H          6.09086       -0.59625        1.05786
H          4.89876       -0.10430       -0.19835
H          4.45540       -0.00253        1.51866
C          2.48169       -1.84155       -0.86221
H          3.18057       -1.73377       -1.70406
C          1.10142       -1.75515       -1.12297
C          0.63074       -1.69071       -2.57322
C          0.71437       -3.08911       -3.21876
H          0.30905       -3.06351       -4.25156
H          0.15480       -3.84013       -2.63325
H          1.77146       -3.42285       -3.27985
H         -0.43616       -1.38914       -2.55801
C          1.39998       -0.67722       -3.43260
H          1.41128        0.33038       -2.97563
H          0.93220       -0.60046       -4.43541
H          2.45027       -0.99872       -3.59275
C         -2.25675        1.91349       -1.57111
C         -1.75974        3.37204       -1.62118
H         -2.04707        3.80314       -2.60384
H         -0.65839        3.42523       -1.53667
H         -2.22282        4.00040       -0.83689
C         -1.68060        1.11994       -2.75698
H         -0.57878        1.16511       -2.77776
H         -2.01697        0.06388       -2.73590
H         -2.05971        1.57250       -3.69795
C         -3.78893        1.88678       -1.69525
H         -4.17806        0.85669       -1.80120
H         -4.04829        2.42917       -2.62968
H         -4.30997        2.38623       -0.86155
C         -3.54375       -0.85802        0.12473
O         -4.29706        0.19137        0.55977
C         -5.70514        0.07155        0.57976
H         -6.04187       -0.72776        1.27618
H         -6.09329        1.04416        0.93666
H         -6.11664       -0.13195       -0.43394
C         -4.11573       -2.10249       -0.17138
C         -3.30131       -3.19026       -0.50167
C         -1.90993       -3.04000       -0.48511
O         -1.04927       -4.08340       -0.68779
C         -1.58857       -5.36554       -0.94154
H         -2.20759       -5.72882       -0.09008
H         -0.72504       -6.04318       -1.07367
H         -2.20551       -5.38103       -1.86803
H         -3.76607       -4.15832       -0.72753
H         -5.20294       -2.24301       -0.12941

