%nprocs=48
%mem=350GB
%chk=3j-iprjohnphos-37-yb.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd         0.18900        0.73039       -0.33183
O         -0.11137        0.38802       -2.27672
H         -1.02682        0.03627       -2.30712
O         -0.63088        2.63430       -0.82380
O         -2.63229        4.04131       -0.67040
H         -0.80523        2.39631       -1.76274
B         -1.96781        2.91098       -0.09838
O         -1.45127        3.15020        1.30452
C         -2.90104        1.58116       -0.21099
C         -3.13787        0.72373        0.86100
C         -3.44416        1.19997       -1.48140
C         -4.14692        0.01733       -1.65837
C         -4.37148       -0.87079       -0.56412
C         -3.86363       -0.49754        0.73340
C         -4.07573       -1.38257        1.83152
C         -4.74252       -2.58801        1.66083
C         -5.23732       -2.95685        0.38015
C         -5.05818       -2.11154       -0.70622
H         -3.30284        1.87850       -2.33885
H         -4.54900       -0.25392       -2.64830
H         -2.73718        0.97627        1.85795
H         -5.76688       -3.91361        0.25426
H         -5.44339       -2.39107       -1.69989
H         -3.69205       -1.09314        2.82292
H         -4.89403       -3.26138        2.51856
H         -2.04504        4.81445       -0.58762
H         -2.21255        3.25181        1.90175
O          0.35202        1.43196        1.67672
H          1.18793        1.95077        1.67940
H         -0.41263        2.16261        1.63994
P          1.01084       -1.32059        0.08855
C          0.93101       -1.68700        1.93432
C         -0.49818       -1.58170        2.47887
H          1.50875       -0.82295        2.33018
C          1.61378       -2.98868        2.36108
C          2.81272       -1.56765       -0.26511
C          3.29475       -2.87884       -0.48492
C          4.65803       -3.13646       -0.67382
H          5.00083       -4.16764       -0.84665
C          5.57572       -2.07715       -0.63541
H          6.65009       -2.26418       -0.78268
C          5.11640       -0.77458       -0.40759
H          5.82766        0.06458       -0.37604
H          2.59223       -3.72381       -0.49804
C          3.74386       -0.49613       -0.22379
C          3.36424        0.92769        0.02166
C          3.58346        1.50713        1.28764
C          3.27270        2.86071        1.51628
H          3.44230        3.30027        2.51118
C          2.76131        3.65092        0.47175
C          2.56135        3.08642       -0.79724
H          2.14319        3.69360       -1.61209
C          2.84476        1.72967       -1.02042
C          0.14424       -2.70324       -0.83866
C          0.56983       -2.72499       -2.31557
H          0.44832       -3.64949       -0.33648
C         -1.37752       -2.54462       -0.71628
H          3.99138        0.88710        2.10074
H          2.51391        4.70786        0.64992
H          2.67529        1.28472       -2.01200
H         -0.00506       -3.50940       -2.84992
H          1.64645       -2.93723       -2.45373
H          0.35589       -1.73863       -2.77403
H         -1.88477       -3.33418       -1.30689
H         -1.70434       -1.56393       -1.11300
H         -1.75120       -2.61160        0.32059
H         -1.08691       -2.49479        2.26227
H         -1.03560       -0.71435        2.05435
H         -0.46721       -1.46157        3.58120
H          1.11102       -3.87697        1.92479
H          1.55036       -3.09216        3.46440
H          2.68365       -3.02324        2.08095

