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

Title Card Required

0 1
Pd         0.55307       -0.56806       -0.09516
O          0.22499       -1.90199        1.34741
H          1.11577       -2.08902        1.70352
O          0.93985        1.01228       -1.58434
O          2.20551        0.10028       -3.44002
H          0.84020        1.86568       -1.09850
B          1.86217        1.12942       -2.63488
O          2.36795        2.39589       -2.83023
C          2.52071       -1.03956        0.00547
C          2.94889       -2.34493        0.24401
C          3.52338       -0.04004       -0.20351
C          4.87679       -0.35125       -0.18463
C          5.32395       -1.68759        0.03033
C          4.32874       -2.70632        0.25173
C          4.75195       -4.05785        0.42525
C          6.09881       -4.39191        0.38139
C          7.08099       -3.38573        0.16699
C          6.69870       -2.06174       -0.00074
H          3.22957        1.00603       -0.37606
H          5.62775        0.43894       -0.35050
H          2.21750       -3.14952        0.40620
H          8.14624       -3.66112        0.13359
H          7.45625       -1.28029       -0.17251
H          3.98365       -4.83267        0.57642
H          6.41169       -5.43943        0.51427
H          1.88969       -0.82792       -3.23041
H          2.98740        2.39346       -3.58130
P         -1.83956       -0.17977       -0.29897
C         -2.64274        1.44134        0.15556
C         -1.91642        2.58681        0.57860
C         -2.61054        3.80680        0.76319
H         -2.03998        4.68732        1.09549
C         -3.99154        3.90344        0.56591
H         -4.50492        4.86335        0.72765
C         -4.71444        2.76666        0.17318
H         -5.80264        2.82150        0.01826
C         -0.45418        2.58952        0.85501
C          0.38739        3.51622        0.19385
H         -0.04418        4.19107       -0.56182
C          1.76073        3.57797        0.48897
H          2.40202        4.28620       -0.05593
C          2.30836        2.72746        1.46334
H          3.38188        2.77251        1.69836
C          1.48489        1.79944        2.11811
H          1.91151        1.11059        2.86150
C          0.11783        1.71664        1.80841
H         -0.52037        0.99557        2.33758
C         -4.03887        1.55821       -0.03183
H         -4.61580        0.68285       -0.36749
C         -2.91092       -1.36314        0.70093
H         -3.96375       -1.14359        0.41408
C         -2.71341       -1.05782        2.19269
H         -1.65594       -1.25014        2.46752
H         -3.36264       -1.72162        2.80108
H         -2.97637       -0.00994        2.44140
C         -2.59766       -2.83060        0.38614
H         -2.86671       -3.11136       -0.65031
H         -3.18214       -3.48612        1.06531
H         -1.51919       -3.02102        0.55844
C         -2.44729       -0.35583       -2.08532
H         -3.53616       -0.57961       -2.02246
C         -1.73282       -1.51696       -2.78596
H         -0.64510       -1.31857       -2.87540
H         -2.13965       -1.64589       -3.81092
H         -1.84690       -2.48030       -2.25580
C         -2.23958        0.94597       -2.87142
H         -2.83843        1.78554       -2.47081
H         -2.52936        0.79412       -3.93211
H         -1.17211        1.24238       -2.85179
P          1.94384       -3.02959       -3.72749
C          3.72294       -3.02670       -4.34986
C          4.64007       -2.65570       -3.18183
H          5.70088       -2.65806       -3.50861
H          4.40404       -1.64527       -2.79008
H          4.55176       -3.36548       -2.33857
C          3.88266       -2.04798       -5.52159
H          4.95656       -1.97780       -5.79498
H          3.53435       -1.03018       -5.25159
H          3.33777       -2.38020       -6.42729
H          3.97443       -4.04295       -4.70964
C          1.78525       -4.40811       -2.49337
C          2.49822       -5.63939       -2.43207
C          3.50683       -6.06897       -3.44416
C          3.11708       -6.45580       -4.74387
H          2.05033       -6.44470       -5.01107
C          4.07449       -6.85511       -5.68809
H          3.75440       -7.15128       -6.69881
C          5.43602       -6.87880       -5.34502
H          6.18826       -7.18366       -6.08837
C          5.83118       -6.52102       -4.04615
H          6.89590       -6.54143       -3.76747
C          4.87375       -6.12805       -3.09925
H          5.18482       -5.82723       -2.08698
C          2.24934       -6.52419       -1.35958
H          2.81963       -7.46503       -1.31719
C          1.28604       -6.24166       -0.38151
H          1.10603       -6.95678        0.43576
C          0.56441       -5.04258       -0.45086
H         -0.17402       -4.77896        0.31979
C          0.83256       -4.13519       -1.48463
H          0.32792       -3.15604       -1.47539
C          0.94791       -3.63737       -5.22880
H          1.65641       -4.21744       -5.86103
C          0.44197       -2.41938       -6.01640
H          1.25647       -1.72646       -6.30040
H         -0.28507       -1.83919       -5.41257
H         -0.07018       -2.74335       -6.94739
C         -0.21830       -4.54461       -4.82499
H         -0.90676       -4.02807       -4.12465
H          0.11852       -5.47165       -4.32216
H         -0.80751       -4.83040       -5.72196

