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

TS(B-C) 

-1 1
 C                  5.11054900    1.43792200   -1.16039000
 C                  3.69266500    1.22831500   -0.67523900
 H                  5.29689200    0.85179200   -2.06723800
 H                  5.83147100    1.11010800   -0.40365400
 H                  5.26954800    2.49463200   -1.37720300
 O                  2.92411700    2.25889300   -0.63342800
 N                  3.26691800    0.03820800   -0.31263100
 C                  4.13075400   -1.13880700   -0.36719000
 C                  3.37732700   -2.41770100    0.03208400
 H                  4.98936200   -1.03887500    0.31001700
 H                  4.53403400   -1.29770400   -1.37554300
 O                  3.97894300   -3.49086000    0.02027100
 O                  2.12369900   -2.28353100    0.36707900
 Pd                 1.38931100   -0.35210000    0.30785500
 C                  0.37970500    2.18332500    1.60887800
 C                  0.55205100    1.62907500    0.31921700
 C                 -0.78422300    2.87416100    1.94014600
 C                 -1.79725200    3.02801500    0.98663400
 C                 -0.47613800    1.83411700   -0.62576300
 C                 -1.65579400    2.51903900   -0.31314700
 H                 -0.90985200    3.29715300    2.93391600
 H                 -2.70685600    3.56393700    1.25064000
 H                 -0.35735900    1.43085200   -1.62901700
 H                  1.16872200    2.07091200    2.34938200
 H                  1.77745900    1.85413400   -0.17607200
 C                 -2.76775400    2.64869500   -1.33274100
 H                 -3.37235500    3.53817000   -1.11586900
 H                 -2.33327700    2.79631100   -2.32977200
 C                 -5.92192700   -1.73175800   -1.23072300
 H                 -5.47780700   -2.46453700   -1.91077100
 H                 -6.90570600   -2.08289000   -0.90916900
 H                 -6.06282500   -0.79190600   -1.77736400
 C                 -5.06585300   -1.45613900   -0.00534800
 N                 -3.75952500   -1.80674800   -0.11270600
 C                 -2.76831400   -1.38258300    0.85542200
 H                 -3.05682400   -0.41579700    1.28329100
 H                 -2.68624100   -2.08867200    1.69045500
 C                 -1.39539700   -1.22994400    0.18561100
 O                 -0.46670000   -0.93207800    1.02733600
 O                 -1.28332300   -1.37578300   -1.04121400
 O                 -5.53079900   -0.92905600    1.01025500
 H                 -3.37514100   -2.05173800   -1.01876200
 C                 -3.67028000    1.40185600   -1.35669300
 H                 -4.43904400    1.48732400   -2.13401000
 H                 -3.07689300    0.50271700   -1.55039000
 H                 -4.17559000    1.26423700   -0.39379800

-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



