%nprocshared=24
%mem=100GB
#p b3lyp/genecp EmpiricalDispersion=GD3 scrf=(cpcm,solvent=generic,read)

TS(B-C) 

-1 1
 C                  5.52328800   -2.07990400    0.79720300
 C                  4.10865400   -1.65611600    0.46633800
 H                  5.90535100   -1.51864900    1.65679900
 H                  6.19175800   -1.88099700   -0.04793300
 H                  5.54084600   -3.14610900    1.02488900
 O                  3.20548600   -2.57256100    0.45776700
 N                  3.81910200   -0.40216800    0.19757800
 C                  4.84365400    0.63953800    0.19932700
 C                  4.27971900    1.99725700   -0.24941900
 H                  5.67411500    0.39184700   -0.47398900
 H                  5.27261800    0.77780600    1.20078600
 O                  5.04092300    2.96171700   -0.31951000
 O                  3.00755100    2.04377200   -0.53155400
 Pd                 1.97595200    0.26636300   -0.27785600
 C                  0.20498500   -2.04023500   -1.13495300
 C                  0.83356000   -1.52157300    0.02068600
 C                 -1.10735900   -2.50289400   -1.10436100
 C                 -1.85514400   -2.46684600    0.08567100
 C                  0.08504300   -1.53972500    1.22028400
 C                 -1.22670800   -2.00302800    1.25329500
 H                 -1.57028900   -2.88882100   -2.00975800
 H                  0.54453500   -1.18114600    2.13813500
 H                  0.75783600   -2.07303800   -2.07163700
 H                  2.07886000   -1.98720600    0.20107800
 C                 -3.30539500   -2.88844300    0.10576200
 H                 -3.47138900   -3.66397500   -0.65337100
 H                 -3.53899700   -3.33950900    1.07912400
 C                 -4.13351900   -1.13037200   -1.54686700
 H                 -3.11651700   -0.74371800   -1.66932600
 H                 -4.30313300   -1.87824900   -2.33186000
 H                 -4.82621300   -0.29637800   -1.70565800
 C                 -4.19983200   -0.63681700    0.91699800
 H                 -4.96881500    0.12735100    0.76104900
 H                 -4.32342700   -1.04551100    1.92784300
 H                 -3.22543200   -0.14028800    0.87100000
 C                 -5.74611700   -2.34991200   -0.06098000
 H                 -5.93292900   -2.77475800    0.93326900
 H                 -6.50991900   -1.58558000   -0.24971000
 H                 -5.87871900   -3.14883200   -0.80118800
 C                 -4.89570200    3.17746600    1.46043500
 H                 -4.26222700    3.62688300    2.23080600
 H                 -5.68062000    3.88410900    1.17862600
 H                 -5.38086200    2.29058800    1.88410900
 C                 -4.12643000    2.76838900    0.21415000
 N                 -2.78519300    2.66277500    0.36472200
 C                 -1.91924900    2.12625000   -0.66460800
 H                 -2.41615400    1.29964600   -1.18127800
 H                 -1.68305300    2.87989200   -1.42673300
 C                 -0.60816000    1.62372800   -0.03977800
 O                  0.19390100    1.11648900   -0.91108300
 O                 -0.42386500    1.73586400    1.18095500
 O                 -4.69836800    2.53229800   -0.85589600
 H                 -2.35515800    2.72964000    1.28062200
 H                 -1.78302000   -1.99552000    2.18761000
 C                 -4.33449700   -1.73960300   -0.14809400

-C -H -O -N 0
cc-pVTZ
****
Pd     0
S    9   1.00
    247.2020000              0.0006240
     20.7937000             -0.0501980
     13.0019000              0.2962420
      8.1256200             -0.2640150
      4.8884200             -0.5037150
      1.3920600              0.8177430
      0.6383820              0.4964090
      0.1588280              0.0323180
      0.0757930             -0.0110230
S    9   1.00
    247.2020000             -0.0002000
     20.7937000              0.0158670
     13.0019000             -0.0968700
      8.1256200              0.1017160
      4.8884200              0.1434910
      1.3920600             -0.3291740
      0.6383820             -0.2996310
      0.1588280              0.2591500
      0.0757930              0.5993290
S    9   1.00
    247.2020000             -0.0002890
     20.7937000              0.0100490
     13.0019000             -0.1055420
      8.1256200              0.0255180
      4.8884200              0.5196830
      1.3920600             -1.4174220
      0.6383820              0.4318030
      0.1588280              1.8563460
      0.0757930             -0.9626340
S    9   1.00
    247.2020000             -0.0008060
     20.7937000              0.0673350
     13.0019000             -0.3972070
      8.1256200              0.4583510
      4.8884200              0.5570950
      1.3920600             -3.2352070
      0.6383820              3.4344500
      0.1588280             -0.8478430
      0.0757930             -1.3772410
S    1   1.00
      0.0331840              1.0000000
P    8   1.00
     24.8824000             -0.0017220
     15.5517000              0.0315340
      6.9234300             -0.2010620
      1.9228600              0.4525720
      0.9711910              0.4799470
      0.4769190              0.2040450
      0.1938660              0.0225170
      0.0787920             -0.0006140
P    8   1.00
     24.8824000             -0.0002120
     15.5517000             -0.0068010
      6.9234300              0.0539880
      1.9228600             -0.1486710
      0.9711910             -0.1667440
      0.4769190             -0.0347260
      0.1938660              0.3263210
      0.0787920              0.5599760
P    8   1.00
     24.8824000              0.0002580
     15.5517000             -0.0165210
      6.9234300              0.1208050
      1.9228600             -0.3642750
      0.9711910             -0.3807400
      0.4769190              0.2890590
      0.1938660              0.6824540
      0.0787920              0.2585140
P    8   1.00
     24.8824000              0.0034320
     15.5517000             -0.0345360
      6.9234300              0.2162500
      1.9228600             -0.8692850
      0.9711910             -0.2962990
      0.4769190              1.5226960
      0.1938660             -0.2638220
      0.0787920             -0.7598920
P    1   1.00
      0.0316530              1.0000000
D    7   1.00
     29.0204000              0.0021720
      6.4114900             -0.0479580
      3.9973600              0.1033430
      1.8874200              0.2932100
      0.9132080              0.3716870
      0.4256750              0.3064560
      0.1877270              0.1666290
D    7   1.00
     29.0204000             -0.0023520
      6.4114900              0.0544140
      3.9973600             -0.1263090
      1.8874200             -0.3977950
      0.9132080             -0.2964330
      0.4256750              0.2617170
      0.1877270              0.5376890
D    7   1.00
     29.0204000              0.0037610
      6.4114900             -0.0967630
      3.9973600              0.2519190
      1.8874200              0.7039300
      0.9132080             -0.3283750
      0.4256750             -0.8381000
      0.1877270              0.3242530
D    1   1.00
      0.0757900              1.0000000
F    1   1.00
      2.2329000              1.0000000
F    1   1.00
      0.6384000              1.0000000
G    1   1.00
      1.3721000              1.0000000
****

PD     0
PD-ECP     4     28
g potential
  1
2      1.0000000              0.0000000
s-g potential
  2
2     12.79882500           240.26278900
2      5.80052800            34.72996100
p-g potential
  4
2     11.87469700            56.74692900
2     11.47433500           113.44441700
2      5.51599900             9.34563900
2      5.24804300            18.34544700
d-g potential
  4
2      8.50221200            28.59555400
2      7.98332400            43.45392100
2      3.10762800             1.85228600
2      2.47673400             1.40676500
f-g potential
  2
2      9.67957100           -10.98725500
2      9.69134900           -14.62619000

solventname=HFIP 
eps=16.7
epsinf=1.625625



