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

TS(B-C) 

-1 1
 C                  5.24190800    1.98239300   -1.13107400
 C                  3.89765400    1.55835900   -0.57925000
 H                  5.40433600    1.55159600   -2.12523500
 H                  6.05349800    1.63071400   -0.48464700
 H                  5.28130000    3.06992300   -1.19917000
 O                  3.05442200    2.48459500   -0.29552200
 N                  3.60922100    0.28716800   -0.39823700
 C                  4.56410600   -0.77115200   -0.71736600
 C                  3.98944700   -2.16449700   -0.41936500
 H                  5.49008900   -0.66743900   -0.13672800
 H                  4.84671300   -0.75330300   -1.77816700
 O                  4.68669900   -3.15554100   -0.63245300
 O                  2.77370500   -2.21143100    0.05101300
 Pd                 1.84266700   -0.38448200    0.30649300
 C                  0.66401300    1.76261700    2.03721800
 C                  0.81490200    1.47780900    0.66097500
 C                 -0.51322800    2.32493000    2.52538800
 C                 -1.54861400    2.64151500    1.64118500
 C                 -0.25053300    1.81958900   -0.20365100
 C                 -1.43315700    2.40934100    0.26012300
 H                 -0.62482600    2.53718500    3.58585500
 H                 -2.45687600    3.10148100    2.02404400
 H                 -0.13677500    1.64251200   -1.27103600
 H                  1.48100400    1.54502500    2.72161200
 H                  1.97687100    1.88075000    0.16726000
 C                 -2.54890200    2.82586300   -0.67758300
 H                 -3.06500200    3.68930700   -0.23726200
 H                 -2.11469500    3.17286600   -1.62473500
 C                 -4.21500700    1.15266400    0.27757400
 H                 -3.45160000    0.62808000    0.86012400
 H                 -4.64436300    1.93615100    0.91496500
 H                 -5.00924400    0.43343300    0.04824400
 C                 -3.01531800    0.63091500   -1.87370700
 H                 -3.77674200   -0.11644200   -2.12942000
 H                 -2.61728500    1.03677100   -2.81295400
 H                 -2.20330500    0.11191000   -1.35943400
 C                 -4.74866900    2.43962900   -1.80902200
 H                 -4.35752600    2.89830600   -2.72597300
 H                 -5.52020000    1.71521200   -2.09813900
 H                 -5.23083200    3.22687700   -1.21590100
 C                 -5.29571800   -2.59804500   -0.98644700
 H                 -4.77458400   -2.97225900   -1.87242100
 H                 -6.10947900   -3.28120000   -0.72883600
 H                 -5.74151900   -1.62676600   -1.23046500
 C                 -4.38711800   -2.43036500    0.22148800
 N                 -3.05855800   -2.44382200   -0.04011900
 C                 -2.06007700   -2.11462700    0.95577100
 H                 -2.42178700   -1.30972500    1.60393300
 H                 -1.83959700   -2.96972400    1.60799300
 C                 -0.76308900   -1.66698900    0.26517400
 O                  0.13081300   -1.25481100    1.09429600
 O                 -0.67346700   -1.71987200   -0.97161200
 O                 -4.83984600   -2.27521300    1.36025000
 H                 -2.71277200   -2.44050200   -0.99329300
 C                 -3.62605800    1.74841900   -1.01213100

-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



