%nprocs=48
%mem=350GB
%chk=3h-ruphos-02-ts-rxt-c1.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt=(calcfc,ts,noeigentest) empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd        -0.18886       -0.36538       -1.32557
O         -0.69222        0.34201       -3.26665
O         -1.84682        2.49007       -3.65218
H          0.14238        0.57349       -3.71906
B         -1.34386        1.61821       -2.62772
O         -0.35656        2.30888       -1.78938
O          0.97827       -1.82548       -2.03688
H          1.84102       -1.71419       -1.58360
C         -2.41074        0.95804       -1.55974
C         -2.91531       -0.35078       -1.67036
C         -2.93109        1.77201       -0.49662
C         -3.88528        1.30136        0.38810
C         -4.37322       -0.04012        0.30188
C         -3.89037       -0.87774       -0.76681
C         -4.38840       -2.20773       -0.87848
C         -5.30098       -2.70778        0.04066
C         -5.75628       -1.89040        1.10992
C         -5.30617       -0.58163        1.23229
H         -2.54864        2.80008       -0.40288
H         -4.28114        1.95010        1.18638
H         -2.59027       -0.98962       -2.50813
H         -6.47486       -2.29593        1.83849
H         -5.66723        0.05830        2.05333
H         -4.02238       -2.83870       -1.70379
H         -5.67318       -3.73923       -0.05484
H          0.36099        2.68046       -2.33628
H         -2.50727        2.02171       -4.19019
P          0.27106       -0.97228        0.77045
C         -0.09299       -2.76816        1.12044
C         -1.52388       -3.09552        0.65876
C         -1.87705       -4.56022        0.94466
H         -2.90161       -4.77023        0.57264
H         -1.90558       -4.72273        2.04629
C         -0.85809       -5.51819        0.31639
H         -1.11098       -6.57127        0.56149
H         -0.91179       -5.42866       -0.79153
C          0.56818       -5.18532        0.77354
H          0.65637       -5.37679        1.86790
H          1.30155       -5.85727        0.27997
H         -2.26481       -2.42409        1.13861
H         -1.59062       -2.89645       -0.43221
H         -0.05253       -2.88977        2.22623
C          0.92637       -3.72344        0.47645
H          0.91634       -3.53250       -0.61803
H          1.95209       -3.49314        0.83279
C         -0.85026       -0.00108        1.91783
C         -1.01844       -0.58636        3.32983
C         -1.97757        0.27552        4.16444
H         -2.08507       -0.16103        5.17975
H         -2.98829        0.24581        3.69885
C         -1.49282        1.72682        4.24460
H         -2.19762        2.34037        4.84437
H         -0.51687        1.75410        4.78044
C         -1.32093        2.32170        2.84315
H         -2.31620        2.40349        2.35780
H         -0.92030        3.35530        2.90964
H         -1.39859       -1.62709        3.28325
H         -0.03036       -0.61956        3.83871
H         -1.83391       -0.04792        1.39931
C         -0.39903        1.46951        1.96053
H          0.63792        1.52269        2.35505
H         -0.35686        1.87810        0.93007
C          1.96837       -0.68141        1.46049
C          2.28388       -1.36239        2.66136
C          3.47384       -1.12106        3.35723
H          3.68549       -1.67117        4.28646
C          4.38275       -0.17635        2.86137
H          5.32034        0.03355        3.39818
C          4.09681        0.48724        1.66427
H          4.81416        1.21235        1.25183
H          1.58311       -2.10502        3.06671
C          2.90814        0.24864        0.93785
C          2.80655        0.96651       -0.37151
C          2.52826        2.35598       -0.42781
O          2.21442        2.93535        0.75777
C          1.99669        4.36153        0.83992
C          2.30385        4.74108        2.28294
H          2.17284        5.83118        2.43012
H          1.61575        4.21178        2.97282
H          3.34289        4.46869        2.55229
C          0.57710        4.73242        0.41235
H         -0.15216        4.42236        1.18627
H          0.27956        4.23120       -0.52880
H          0.49195        5.82995        0.28163
H          2.73622        4.86040        0.17308
C          2.62027        3.05144       -1.65495
H          2.39296        4.12264       -1.71411
C          2.99677        2.35718       -2.81190
C          3.31359        0.99305       -2.77799
H          3.62178        0.47641       -3.69491
H          3.05584        2.89980       -3.76785
C          3.24663        0.31123       -1.54688
O          3.58625       -1.00361       -1.37614
C          4.28123       -1.72757       -2.42169
C          5.73700       -1.27618       -2.49027
H          6.27231       -1.82306       -3.29178
H          5.81778       -0.19196       -2.70076
H          6.24371       -1.48202       -1.52585
H          3.76412       -1.53336       -3.38720
C          4.12290       -3.20156       -2.07443
H          4.55079       -3.40999       -1.07303
H          3.05322       -3.48815       -2.07233
H          4.65003       -3.82760       -2.82047

