%nprocs=48
%mem=350GB
%chk=3q-ruphos-23-ts-c5-c6.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt=(calcfc,ts,noeigentest) empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd        -0.39433       -1.13644        0.45381
O         -1.25195       -3.06377        0.39998
H         -1.96816       -2.92984        1.05715
B         -1.85480       -3.60621       -0.91200
O         -1.64147       -5.00868       -1.06723
O         -3.27029       -3.28568       -0.91825
O         -1.09722       -2.81051       -1.97870
H         -0.06404       -2.11890       -1.33312
H         -1.69601       -2.08796       -2.26544
C          1.11581       -1.67258       -1.00889
C          2.00630       -2.59944       -0.44714
C          1.60376       -0.82587       -2.05988
C          2.91363       -0.89489       -2.49777
C          3.84222       -1.79533       -1.89179
C          3.37335       -2.66860       -0.84059
C          4.29735       -3.56437       -0.22412
C          5.62688       -3.59581       -0.61740
C          6.08744       -2.73415       -1.65011
C          5.21223       -1.85588       -2.27492
H          0.89777       -0.13178       -2.53881
H          3.26497       -0.24752       -3.31761
H          1.64552       -3.29462        0.32896
H          7.14466       -2.76672       -1.95462
H          5.56828       -1.18788       -3.07499
H          3.93261       -4.22834        0.57523
H          6.33035       -4.28907       -0.13194
O         -1.71135       -0.82832        1.94355
H         -2.35225       -0.18951        1.56115
H         -0.74599       -5.17130       -1.40625
H         -3.72990       -4.08339       -1.23260
P          0.45309        0.85210        1.11507
C          1.94175        1.62224        0.24299
C          2.14130        3.11953        0.54258
C          3.33569        3.69917       -0.23178
H          3.47105        4.76733        0.04030
H          3.09818        3.68452       -1.31893
C          4.62558        2.90669        0.00130
H          5.45552        3.32753       -0.60448
H          4.93267        3.00766        1.06692
C          4.40903        1.42659       -0.32491
H          4.18571        1.31419       -1.40855
H          5.32876        0.83442       -0.13675
H          1.22429        3.68545        0.29007
H          2.31688        3.26291        1.63280
H          1.66370        1.52371       -0.82755
C          3.24554        0.84327        0.48742
H          3.51239        0.90308        1.56496
H          3.11000       -0.22793        0.24961
C          1.02387        0.62675        2.89989
C         -0.06886        0.72315        3.98391
C          0.53538        0.55118        5.38459
H         -0.26985        0.62501        6.14562
H          1.23905        1.39020        5.59421
C          1.28298       -0.77953        5.52466
H          1.74891       -0.86513        6.52913
H          0.55213       -1.61420        5.44116
C          2.33829       -0.93170        4.42448
H          3.14400       -0.17689        4.57480
H          2.82840       -1.92619        4.48588
H         -0.61438        1.68370        3.92873
H         -0.81967       -0.06358        3.76453
H          1.78123        1.42916        3.06909
C          1.72560       -0.74704        3.03003
H          0.96018       -1.53275        2.84660
H          2.49801       -0.88984        2.25154
C         -0.77701        2.23184        1.10300
C         -0.67863        3.25843        2.07031
C         -1.58904        4.32079        2.10552
H         -1.48827        5.10257        2.87337
C         -2.62442        4.37721        1.16095
H         -3.35617        5.19899        1.18359
C         -2.71144        3.38828        0.17537
H         -3.50409        3.43407       -0.58641
H          0.13564        3.23601        2.80667
C         -1.79119        2.31867        0.11521
C         -1.93566        1.38443       -1.04229
C         -2.96871        0.41242       -1.05365
O         -3.67482        0.31021        0.10094
C         -4.80182       -0.61239        0.20278
C         -6.01676       -0.01980       -0.50489
H         -5.82094        0.16757       -1.57873
H         -6.87541       -0.71697       -0.43274
H         -6.30844        0.94029       -0.03203
C         -5.02868       -0.82156        1.69296
H         -5.86255       -1.53361        1.84963
H         -5.28666        0.13584        2.19076
H         -4.11645       -1.23410        2.16679
H         -4.48882       -1.57842       -0.25014
C         -3.20776       -0.36194       -2.21122
H         -3.95281       -1.16512       -2.19914
C         -2.44479       -0.12308       -3.36226
C         -1.43530        0.84967       -3.38773
H         -0.85393        1.01040       -4.30405
H         -2.63474       -0.72274       -4.26556
C         -1.18333        1.60385       -2.22293
O         -0.22944        2.57783       -2.14075
C          0.23791        3.23756       -3.33804
C          0.45815        4.69737       -2.95746
H          0.78427        5.28474       -3.83839
H         -0.47632        5.13926       -2.56129
H          1.23836        4.78126       -2.17475
H         -0.57077        3.17893       -4.10086
C          1.50068        2.56664       -3.87644
H          2.30281        2.58209       -3.11147
H          1.32076        1.51195       -4.16057
H          1.86840        3.10355       -4.77357

