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

Title Card Required

0 1
Pd        -1.16841       -0.87920        0.35339
O         -1.90839       -1.12796        2.18819
H         -1.85997       -2.09276        2.33602
O         -0.14872       -0.54065       -1.55413
O         -1.70518       -1.09832       -3.30455
H          0.84050       -0.32614       -1.32632
B         -0.42520       -0.92011       -2.85069
O          0.63955       -1.09827       -3.71070
C         -0.01336       -2.52561        0.64307
C          0.53487       -2.86430        1.87944
C          0.27941       -3.37956       -0.46831
C          1.10920       -4.48505       -0.34314
C          1.72375       -4.80416        0.90282
C          1.41950       -3.97377        2.04297
C          2.03955       -4.27412        3.29246
C          2.92182       -5.33819        3.41507
C          3.21991       -6.15582        2.29074
C          2.62906       -5.89363        1.06221
H         -0.15712       -3.16509       -1.45629
H          1.31957       -5.12323       -1.21728
H          0.30928       -2.24890        2.76614
H          3.92081       -6.99775        2.39828
H          2.85544       -6.52482        0.18775
H          1.80669       -3.63673        4.16067
H          3.39487       -5.55327        4.38567
H         -2.38823       -0.83691       -2.65277
H          0.32029       -1.30226       -4.60768
P         -2.74639        0.90977        0.01937
C         -3.90847        0.48332       -1.36773
C         -4.47216       -0.82832       -1.45695
C         -5.25661       -1.16358       -2.58248
H         -5.67714       -2.17914       -2.63562
C         -5.50066       -0.24602       -3.61223
H         -6.11091       -0.53930       -4.47960
C         -4.95666        1.04184       -3.52472
H         -5.13475        1.77966       -4.32155
C         -4.26997       -1.89757       -0.42891
C         -5.06600       -1.94940        0.73240
H         -5.83305       -1.17878        0.89699
C         -4.89038       -2.97701        1.67039
H         -5.51116       -2.99594        2.57907
C         -3.93009       -3.97721        1.45100
H         -3.78956       -4.78064        2.19001
C         -3.15203       -3.95181        0.28440
H         -2.38687       -4.72177        0.10725
C         -3.31957       -2.91785       -0.64888
H         -2.70891       -2.89867       -1.56361
C         -4.17446        1.39387       -2.41699
H         -3.75301        2.40448       -2.37502
C         -2.04492        2.62666       -0.29885
C         -1.09580        2.67286       -1.51483
C         -0.35065        4.01168       -1.60080
H          0.28627        4.02779       -2.50821
H          0.34914        4.09218       -0.73882
C         -1.30993        5.20546       -1.57712
H         -0.74425        6.16029       -1.61332
H         -1.94695        5.18566       -2.49098
C         -2.20878        5.15896       -0.33676
H         -1.57656        5.26003        0.57452
H         -2.91261        6.01782       -0.32551
H         -0.37621        1.83422       -1.45925
H         -1.66791        2.51664       -2.45503
H         -1.39315        2.70853        0.60111
C         -2.99459        3.84122       -0.25372
H         -3.72754        3.80535       -1.08686
H         -3.59347        3.82249        0.67698
C         -3.80108        1.05653        1.54990
C         -3.02481        1.75150        2.68389
C         -3.78872        1.59971        4.00619
H         -3.24717        2.12493        4.82111
H         -3.80203        0.52165        4.27845
C         -5.22670        2.12306        3.89163
H         -5.77264        1.97321        4.84701
H         -5.20206        3.22311        3.71652
C         -5.98171        1.45188        2.73564
H         -6.09988        0.36781        2.96114
H         -7.00724        1.86855        2.64487
H         -2.01988        1.29294        2.77041
H         -2.89092        2.83422        2.46304
H         -3.84149       -0.01506        1.84940
C         -5.22789        1.60163        1.40465
H         -5.21068        2.67400        1.11341
H         -5.76724        1.07453        0.59015
P          2.59827        0.47902       -0.66553
C          2.90146        1.95668       -1.75192
C          3.54692        3.18205       -1.42229
C          3.55186        4.23384       -2.36538
H          4.04195        5.18045       -2.08992
C          2.98848        4.07989       -3.63829
H          3.02065        4.91166       -4.35837
C          2.39369        2.85819       -3.98510
H          1.95230        2.71500       -4.98313
C          4.24650        3.41269       -0.12768
C          5.39710        2.66987        0.21333
H          5.78672        1.92742       -0.49859
C          6.03446        2.86811        1.44640
H          6.92710        2.27677        1.70101
C          5.53360        3.81442        2.35553
H          6.02622        3.96070        3.32859
C          4.40683        4.57921        2.01345
H          4.01250        5.32660        2.71864
C          3.77429        4.38726        0.77606
H          2.87909        4.97191        0.51390
C          2.33578        1.82202       -3.04332
H          1.82996        0.88081       -3.31236
C          4.14625       -0.58464       -0.77503
C          3.74833       -2.05544       -0.53057
C          4.96290       -2.98827       -0.59876
H          4.63546       -4.03541       -0.43041
H          5.66135       -2.74424        0.23372
C          5.69632       -2.84766       -1.93754
H          6.59856       -3.49459       -1.96270
H          5.03010       -3.20595       -2.75455
C          6.07877       -1.38680       -2.20982
H          6.83487       -1.06203       -1.45913
H          6.56470       -1.28777       -3.20356
H          3.22336       -2.17723        0.43663
H          3.00896       -2.35097       -1.30669
H          4.83639       -0.24876        0.03266
C          4.86444       -0.44993       -2.12806
H          4.14660       -0.69809       -2.94256
H          5.17439        0.60061       -2.30674
C          2.50420        1.07450        1.10934
C          1.19241        1.85809        1.28217
C          0.97355        2.30672        2.73077
H          0.00605        2.84747        2.81250
H          1.76846        3.03131        3.02025
C          0.99955        1.09994        3.67531
H          0.84213        1.42057        4.72670
H          0.15764        0.41952        3.41287
C          2.32429        0.34055        3.53588
H          3.16225        0.99600        3.86666
H          2.33734       -0.54871        4.20159
H          1.17668        2.72919        0.59473
H          0.34696        1.18751        0.99056
H          3.36078        1.74296        1.31841
C          2.56908       -0.10898        2.08865
H          1.79767       -0.85435        1.80850
H          3.55210       -0.61784        2.01846

