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

TS(B-C) 

0 1
 C                 -5.15975200    1.60145000    0.75678200
 C                 -3.73148100    1.32569700    0.34199600
 H                 -5.37573900    1.15094200    1.73125100
 H                 -5.85811200    1.16850000    0.03178000
 H                 -5.32172800    2.67824600    0.81119000
 O                 -2.99129500    2.34032500    0.06292800
 N                 -3.27194000    0.09563700    0.26732800
 C                 -4.10786400   -1.06327800    0.57425400
 C                 -3.37322300   -2.38227900    0.29050600
 H                 -5.02969300   -1.06591800   -0.02052000
 H                 -4.40518500   -1.07267000    1.63111700
 O                 -3.95805800   -3.44631500    0.47857400
 O                 -2.14286400   -2.29151700   -0.14173400
 Pd                -1.40919700   -0.37895800   -0.31630600
 C                 -0.05565100    1.97164700   -1.72912600
 C                 -0.52712200    1.58941200   -0.45305300
 C                  1.21492300    2.52164700   -1.89695000
 C                  2.05615700    2.67773600   -0.79004700
 C                  0.31905900    1.82052800    0.64913200
 C                  1.61131200    2.32899100    0.49215800
 H                  1.56316500    2.81332000   -2.88389100
 H                  3.06071400    3.07222000   -0.92259400
 H                 -0.02700100    1.55916000    1.64679700
 H                 -0.69298200    1.82280900   -2.59758000
 H                 -1.81975800    1.88610800   -0.22056700
 C                  2.53505600    2.37277000    1.68097500
 H                  3.32009000    3.12522200    1.58450200
 H                  1.98714300    2.54903000    2.60851100
 N                  3.22098900    1.03284600    1.82722200
 C                  6.01616200   -1.94364700    0.66640400
 H                  5.90078100   -3.02816900    0.59532900
 H                  6.96782300   -1.65035200    0.21354600
 H                  6.05217000   -1.65693000    1.72272600
 C                  4.90402100   -1.16733400   -0.00481800
 N                  3.87287800   -1.88174400   -0.49728300
 C                  2.74216800   -1.29445600   -1.18731800
 H                  3.03583800   -0.29672000   -1.52821400
 H                  2.49757300   -1.89445600   -2.06650900
 C                  1.47633500   -1.11852800   -0.32620300
 O                  0.41499400   -1.06251100   -1.03998200
 O                  1.55515900   -0.99969400    0.91305700
 O                  4.95314100    0.07650400   -0.08524200
 H                  3.87551600   -2.88493800   -0.37198000
 H                  3.66448500    0.93008800    2.74403400
 H                  2.55163600    0.24056300    1.67342300
 H                  3.95362200    0.88236100    1.09792700

-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



