%nprocs=48
%mem=350GB
%chk=3k-tbujohnphos-22-c5.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd         0.37910        0.44607        1.00486
O          1.79899       -0.73742        1.98612
H          0.71718        1.90785        3.14510
B          1.63286       -1.38710        3.15483
O          1.96133       -2.69947        3.39728
O          1.07151       -0.68748        4.27304
O          2.32574       -3.09134        0.77988
H          2.27401       -2.10646        0.96095
H          1.43936       -3.26009        0.40552
C          1.19007       -0.29608       -0.65655
C          2.56965       -0.11712       -0.75242
C          0.53426       -1.07418       -1.65201
C          1.24716       -1.66384       -2.68829
C          2.65487       -1.49313       -2.80776
C          3.32775       -0.69187       -1.81541
C          4.73887       -0.51094       -1.92214
C          5.45343       -1.08759       -2.96125
C          4.78811       -1.87464       -3.94133
C          3.41767       -2.07300       -3.86319
H         -0.55343       -1.19273       -1.62843
H          0.71667       -2.26312       -3.44615
H          3.11555        0.44431        0.02116
H          5.36620       -2.32883       -4.76051
H          2.89733       -2.68490       -4.61717
H          5.25176        0.09362       -1.15769
H          6.54228       -0.94038       -3.02880
O         -0.03024        1.28278        3.07707
H          0.29261        0.51091        3.66026
H          2.19285       -3.10840        2.50974
H          0.94464       -1.28631        5.03012
P         -1.14842        1.69169       -0.17138
C         -2.45432        0.66687       -1.02416
C         -3.16649        1.30482       -2.06765
H         -2.90720        2.33527       -2.33588
C         -4.19285        0.67748       -2.78133
H         -4.71321        1.21930       -3.58512
C         -4.54628       -0.63683       -2.45177
C         -3.85473       -1.29288       -1.43058
H         -4.13723       -2.32147       -1.16224
H         -5.35928       -1.15200       -2.98522
C         -2.80174       -0.68585       -0.69788
C         -2.13623       -1.58531        0.29520
C         -1.94213       -1.25495        1.65306
H         -2.30469       -0.29682        2.03413
C         -1.35719       -2.16913        2.54335
H         -1.20890       -1.87450        3.59125
C         -0.92002       -3.42158        2.09574
C         -1.11272       -3.77187        0.74938
H         -0.78654       -4.75662        0.38056
H         -0.41706       -4.10956        2.78955
C         -1.72496       -2.87074       -0.13248
H         -1.85841       -3.15500       -1.18722
C         -0.26875        2.81272       -1.51472
C          0.00785        1.99249       -2.78764
H         -0.91984        1.67413       -3.30008
H          0.57864        2.63279       -3.49294
H          0.61434        1.09468       -2.58628
C         -0.98793        4.10920       -1.93621
H         -1.94933        3.93866       -2.45692
H         -0.32853        4.63277       -2.66005
H         -1.16184        4.80830       -1.09845
C          1.07976        3.21576       -0.87922
H          1.69547        2.33065       -0.63741
H          0.95039        3.81080        0.04516
H          1.64185        3.84029       -1.60553
C         -2.25434        2.85969        0.93187
C         -2.90776        2.01250        2.03735
H         -2.15428        1.55681        2.70307
H         -3.54585        2.68038        2.65421
H         -3.57121        1.23339        1.61272
C         -1.35512        3.92316        1.58692
H         -0.51904        3.46087        2.14146
H         -1.95847        4.50299        2.31709
H         -0.94012        4.64415        0.85850
C         -3.40816        3.53654        0.16870
H         -3.95639        4.18029        0.88919
H         -4.13172        2.79541       -0.21999
H         -3.08508        4.18243       -0.66337

