%nprocs=48
%mem=350GB
%chk=3q-ruphos-12-ts-rxt-t1.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt=(calcfc,ts,noeigentest) empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd        -0.08129       -0.01280        1.15884
O         -0.33115        1.70997        2.07747
H         -0.44213        2.37627        1.37013
O          0.52072       -1.83857        0.38839
O          2.05265       -3.55211        1.21656
H          0.82001       -1.73549       -0.54817
B          1.70049       -2.16581        1.36620
O          1.02474       -1.77241        2.63308
C          2.99229       -1.21776        1.07360
C          2.99770        0.11573        1.48374
C          4.15811       -1.69462        0.39634
C          5.23531       -0.86527        0.11312
C          5.22192        0.51070        0.49454
C          4.07467        1.00858        1.21291
C          4.04471        2.37845        1.60631
C          5.09427        3.23063        1.29303
C          6.22215        2.74364        0.57612
C          6.28440        1.41136        0.18959
H          4.18908       -2.75836        0.11119
H          6.12303       -1.25753       -0.41028
H          2.14632        0.52941        2.06034
H          7.05008        3.42708        0.33240
H          7.16000        1.03085       -0.36051
H          3.16011        2.74658        2.14987
H          5.05779        4.28796        1.59766
H          1.27588       -4.08993        1.45303
H          1.70303       -1.59807        3.30894
P         -2.08839       -0.09753        0.23520
C         -2.91472       -1.65972        0.88088
C         -2.47792       -2.93192        0.12560
C         -3.15677       -4.18147        0.70388
H         -2.80989       -5.07910        0.14979
H         -4.25647       -4.11747        0.53505
C         -2.88616       -4.33487        2.20449
H         -3.41095       -5.22644        2.60777
H         -1.79798       -4.50722        2.36238
C         -3.30136       -3.07031        2.96286
H         -4.40737       -2.94910        2.90319
H         -3.05429       -3.16201        4.04107
H         -2.69802       -2.85308       -0.95640
H         -1.37459       -3.01618        0.21616
H         -4.01179       -1.50324        0.74675
C         -2.61210       -1.82555        2.38825
H         -1.51066       -1.91955        2.51323
H         -2.90790       -0.92449        2.95799
C         -3.21860        1.35400        0.60498
C         -4.55089        1.35267       -0.16561
C         -5.35732        2.62962        0.12472
H         -6.32947        2.58428       -0.40975
H         -4.81003        3.49967       -0.30282
C         -5.56918        2.86140        1.62415
H         -6.11475        3.81335        1.79471
H         -6.21688        2.05246        2.03183
C         -4.23191        2.85586        2.37196
H         -3.62002        3.72707        2.04421
H         -4.39038        2.98457        3.46288
H         -4.37298        1.27042       -1.25559
H         -5.15408        0.46586        0.13395
H         -2.60164        2.19394        0.21719
C         -3.44630        1.56340        2.11339
H         -4.03287        0.70966        2.51707
H         -2.46183        1.58612        2.62357
C         -2.11351       -0.22534       -1.60027
C         -3.24903       -0.80431       -2.21639
C         -3.33337       -0.94443       -3.60562
H         -4.22754       -1.39877       -4.05817
C         -2.26892       -0.50657       -4.40831
H         -2.31530       -0.61514       -5.50257
C         -1.14585        0.07332       -3.81050
H         -0.30894        0.42426       -4.43267
H         -4.08491       -1.15661       -1.59553
C         -1.04429        0.23377       -2.40898
C          0.20739        0.88932       -1.92072
C          1.43391        0.18612       -1.99774
O          1.31048       -1.17134       -2.18760
C          2.42196       -1.94842       -2.71588
C          2.60714       -1.62694       -4.19413
H          1.69432       -1.89594       -4.76363
H          2.81220       -0.54863       -4.34665
H          3.46105       -2.19874       -4.60855
C          2.07694       -3.40474       -2.43859
H          1.11542       -3.67166       -2.92288
H          2.00156       -3.60271       -1.34929
H          2.86850       -4.06095       -2.85087
H          3.33635       -1.68383       -2.14306
C          2.66290        0.83925       -1.81508
H          3.60867        0.28546       -1.84309
C          2.66261        2.20605       -1.51987
C          1.46728        2.92611       -1.39188
H          1.50647        3.98985       -1.12789
H          3.62114        2.71536       -1.34336
C          0.23723        2.26944       -1.59621
O         -0.98378        2.87971       -1.52279
C         -1.06964        4.31728       -1.43383
C         -2.39355        4.70116       -2.08197
H         -3.24224        4.25562       -1.52475
H         -2.52009        5.80155       -2.08455
H         -2.43633        4.33558       -3.12586
H         -0.23620        4.75192       -2.03045
C         -0.95958        4.78009        0.01874
H         -1.80253        4.38262        0.62021
H         -0.01294        4.44532        0.48670
H         -0.99274        5.88636        0.07727

