%nprocs=48
%mem=350GB
%chk=3q-ruphos-25-ts-t5-t6.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt=(calcfc,ts,noeigentest) empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd        -0.76001       -0.16238       -0.11331
O         -1.41248        1.66909        0.79089
H         -1.07789        2.42828        0.24927
B         -2.84472        1.85724        1.13175
O         -3.30519        0.93960        2.14290
O         -3.03441        3.26179        1.36893
O         -3.59711        1.38828       -0.17177
H         -2.99337        0.39575       -0.48413
H         -4.45341        1.00361        0.10420
C         -2.67220       -1.00054       -0.74263
C         -3.32382       -1.76893        0.23460
C         -2.78645       -1.42949       -2.11063
C         -3.49900       -2.56595       -2.46026
C         -4.14656       -3.36228       -1.46716
C         -4.05903       -2.94764       -0.08670
C         -4.70649       -3.73523        0.91155
C         -5.40845       -4.88181        0.57003
C         -5.49348       -5.28910       -0.78948
C         -4.87596       -4.54416       -1.78487
H         -2.28893       -0.83484       -2.89124
H         -3.57598       -2.87512       -3.51562
H         -3.28929       -1.43793        1.28657
H         -6.05281       -6.20050       -1.05084
H         -4.94108       -4.85870       -2.83863
H         -4.63476       -3.41305        1.96240
H         -5.90259       -5.48066        1.35032
O         -0.00983       -1.80178       -0.97448
H         -0.79166       -2.33068       -1.22768
H         -3.95803        3.44130        1.61019
H         -2.97642        1.23056        3.01052
P          1.34540        0.20213        0.77951
C          2.46511       -1.26825        0.48569
C          3.97220       -1.02784        0.65540
C          4.77426       -2.27713        0.25544
H          5.85764       -2.09695        0.42100
H          4.65001       -2.44275       -0.83834
C          4.31097       -3.53148        1.00449
H          4.87969       -4.42083        0.65942
H          4.54070       -3.41506        2.08825
C          2.80377       -3.74860        0.83157
H          2.57489       -3.96226       -0.23618
H          2.46744       -4.63634        1.40755
H          4.29908       -0.16564        0.04182
H          4.19962       -0.77340        1.71606
H          2.24520       -1.45823       -0.58693
C          2.00340       -2.51292        1.26348
H          2.15376       -2.35246        2.35461
H          0.92403       -2.67058        1.07284
C          1.20473        0.46955        2.64019
C          0.92321        1.93602        3.02983
C          0.78548        2.09324        4.55054
H          0.57057        3.15454        4.79624
H          1.75765        1.85034        5.03775
C         -0.30206        1.17704        5.12166
H         -0.36758        1.28316        6.22506
H         -1.28986        1.49677        4.71686
C         -0.04884       -0.28164        4.72738
H          0.88307       -0.63901        5.22195
H         -0.86736       -0.93527        5.09593
H          1.71515        2.61153        2.65428
H         -0.01819        2.24780        2.53210
H          2.17969        0.15268        3.08129
C          0.08466       -0.43390        3.20632
H         -0.87163       -0.14370        2.71902
H          0.25241       -1.49386        2.93925
C          2.34039        1.63180        0.16552
C          3.41335        2.12250        0.94552
C          4.20061        3.19439        0.50963
H          5.02841        3.55798        1.13709
C          3.92765        3.79555       -0.72892
H          4.53729        4.64061       -1.08349
C          2.87808        3.31006       -1.51640
H          2.66133        3.76628       -2.49410
H          3.64286        1.65207        1.91260
C          2.07496        2.22938       -1.09061
C          0.98951        1.78188       -2.01272
C         -0.22622        2.49456       -2.06851
O         -0.39420        3.44907       -1.08764
C         -1.11070        4.68037       -1.39036
C         -0.42401        5.41999       -2.53371
H          0.61456        5.68257       -2.24695
H         -0.38952        4.80847       -3.45660
H         -0.97108        6.35592       -2.76266
C         -1.13207        5.46842       -0.08995
H         -0.09573        5.67746        0.24497
H         -1.67202        4.89979        0.69234
H         -1.65208        6.43440       -0.24597
H         -2.15561        4.41690       -1.67114
C         -1.21425        2.18365       -3.02026
H         -2.16907        2.72474       -3.03312
C         -0.96310        1.14736       -3.92779
C          0.22565        0.40467       -3.88671
H          0.36849       -0.42592       -4.58813
H         -1.72641        0.89388       -4.67917
C          1.21020        0.72103       -2.92786
O          2.41117        0.09791       -2.80798
C          2.79275       -0.92098       -3.75786
C          4.31544       -0.90766       -3.79151
H          4.69154       -1.66790       -4.50432
H          4.69710        0.08611       -4.09652
H          4.72179       -1.14252       -2.78688
H          2.41087       -0.61621       -4.75860
C          2.20551       -2.27677       -3.36760
H          1.15397       -2.17540       -3.03301
H          2.26689       -2.98653       -4.21714
H          2.76686       -2.71089       -2.51586

