%nprocs=48
%mem=350GB
%chk=3h-ruphos-01-rxt.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd         0.10794       -0.02369       -1.17957
O          0.83224       -1.64430       -2.09845
H          0.16854       -1.77161       -2.80764
O         -0.84342        0.97603       -2.88028
O         -1.71622        3.20906       -2.34506
H         -0.17912        1.56656       -3.28933
B         -1.66259        1.84898       -1.90291
O         -0.79618        1.81027       -0.61153
C         -3.03159        1.08852       -1.51473
C         -3.21995       -0.27139       -1.75525
C         -4.00740        1.75792       -0.71141
C         -5.08866        1.08789       -0.15791
C         -5.25717       -0.31413       -0.35856
C         -4.30052       -1.00701       -1.18809
C         -4.44669       -2.41356       -1.37760
C         -5.48372       -3.11137       -0.77577
C         -6.42826       -2.42703        0.03821
C         -6.31717       -1.05850        0.23845
H         -3.87659        2.83418       -0.50881
H         -5.82236        1.62421        0.46574
H         -2.49016       -0.81813       -2.37402
H         -7.24909       -2.98865        0.51004
H         -7.04695       -0.52604        0.86926
H         -3.70976       -2.93776       -2.00692
H         -5.57950       -4.19767       -0.92681
H         -2.59010        3.40326       -2.72162
H         -0.08842        2.49133       -0.71281
P          0.59651       -0.85894        0.83190
C         -0.42526        0.07894        2.09601
C         -1.94148       -0.07460        1.88311
C         -2.71552        0.89078        2.78807
H         -3.80435        0.76078        2.61943
H         -2.47870        1.93461        2.48439
C         -2.35896        0.67590        4.26334
H         -2.89241        1.40512        4.90913
H         -2.71061       -0.33324        4.57670
C         -0.84539        0.77079        4.49208
H         -0.51241        1.81653        4.30491
H         -0.59368        0.55207        5.55138
H         -2.20606        0.09408        0.82220
H         -2.24505       -1.11295        2.13789
H         -0.14933        1.12535        1.83766
C         -0.04937       -0.16534        3.56699
H         -0.26760       -1.22353        3.83734
H          1.03544       -0.00843        3.72612
C          0.22678       -2.68530        0.98026
C         -1.11237       -3.02385        0.28711
C         -1.45102       -4.51247        0.43454
H         -2.41456       -4.72105       -0.07648
H         -1.61298       -4.75063        1.51069
C         -0.33274       -5.40032       -0.12193
H         -0.57109       -6.47416        0.03122
H         -0.26167       -5.24489       -1.22154
C          1.01684       -5.04997        0.51695
H          0.99184       -5.32129        1.59779
H          1.83024       -5.65521        0.06399
H         -1.94447       -2.40408        0.66781
H         -0.99505       -2.76800       -0.78714
H          0.12917       -2.89598        2.07210
C          1.34519       -3.55785        0.37183
H          1.42008       -3.27634       -0.70008
H          2.32788       -3.33729        0.83191
C          2.31284       -0.62265        1.46872
C          2.79100       -1.47509        2.48979
C          4.05457       -1.28454        3.06249
H          4.40469       -1.96426        3.85390
C          4.86202       -0.22444        2.62474
H          5.85777       -0.06499        3.06561
C          4.39420        0.63340        1.62257
H          5.01843        1.46864        1.27150
H          2.16045       -2.29801        2.85555
C          3.12537        0.45491        1.03324
C          2.71261        1.41456       -0.03302
C          2.10694        2.64933        0.29762
O          1.86587        2.83981        1.62309
C          1.39023        4.11519        2.10760
C          1.87682        4.21207        3.54806
H          1.56879        5.17632        3.99775
H          1.44406        3.38986        4.15336
H          2.98000        4.13294        3.59596
C         -0.12922        4.22145        1.98931
H         -0.48754        4.04391        0.95783
H         -0.46593        5.22957        2.30352
H         -0.61992        3.47479        2.64456
H          1.87439        4.91684        1.50504
C          1.75384        3.56566       -0.72222
H          1.27929        4.52663       -0.48963
C          2.03163        3.23519       -2.05974
C          2.65146        2.03049       -2.41033
H          2.85786        1.80517       -3.46374
H          1.74296        3.94482       -2.84958
C          3.01203        1.11794       -1.38868
O          3.63853       -0.05940       -1.58303
C          3.89433       -0.55790       -2.91634
C          5.17639        0.06492       -3.46525
H          5.11585        1.17036       -3.50738
H          6.03697       -0.20753       -2.82130
H          5.37786       -0.30788       -4.48948
H          3.02035       -0.29878       -3.55322
C          3.96022       -2.07180       -2.78466
H          2.97949       -2.43871       -2.42611
H          4.18563       -2.53120       -3.76766
H          4.75568       -2.36308       -2.06906

