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

TS(D-E) 

-1 1
 C                 -4.56706700    2.18181800   -0.56621400
 C                 -3.17559800    1.58856600   -0.60055600
 H                 -5.01988500    2.06256700    0.42322500
 H                 -5.21491400    1.67451200   -1.29044800
 H                 -4.51623700    3.24152000   -0.81832200
 O                 -2.22723900    2.33288600   -1.05482500
 N                 -2.94136400    0.36587100   -0.18142300
 C                 -3.99867000   -0.51318100    0.30927300
 C                 -3.55149000   -1.98604800    0.31223000
 H                 -4.90642500   -0.44615500   -0.30098300
 H                 -4.28079100   -0.25239400    1.33875100
 O                 -4.36866800   -2.85394300    0.61745200
 O                 -2.30965700   -2.22547900   -0.00683300
 Pd                -1.15027800   -0.53864600   -0.33662200
 C                  1.01647400    1.11153500   -1.61458600
 C                  0.10197000    1.21004500   -0.53777800
 C                  2.32431600    1.57510600   -1.51324000
 C                  2.74226000    2.17984200   -0.32131300
 C                  0.53407400    1.85614400    0.65189700
 C                  1.84896100    2.33535500    0.73843300
 H                  3.02140600    1.45671300   -2.33737400
 H                  3.76223400    2.54460100   -0.22799300
 H                  0.69115900    0.63633600   -2.53669100
 H                 -1.12010800    1.67817500   -0.87602200
 C                 -0.40001100    2.06362800    1.82670500
 H                 -0.29244000    3.09483900    2.19048000
 H                 -1.43593000    1.94700200    1.49612600
 C                  5.81760800    0.05670400    0.94343800
 H                  5.83013500   -0.50177200    1.88445600
 H                  6.84023600    0.19345700    0.58503500
 H                  5.38870500    1.04687400    1.13964300
 C                  4.99443600   -0.62588800   -0.13817600
 N                  3.98511700   -1.41423400    0.31990100
 C                  2.90974100   -1.87719700   -0.53846300
 H                  2.96250900   -1.34845500   -1.49118700
 H                  2.99487600   -2.95259200   -0.74840900
 C                  1.55049800   -1.60589600    0.12875300
 O                  0.56180600   -1.65069600   -0.70089400
 O                  1.49784500   -1.37669600    1.34332700
 O                  5.22721600   -0.45683700   -1.33831500
 H                  3.72628400   -1.35649700    1.29908000
 H                  2.17688800    2.83151600    1.64995200
 C                 -0.12876900    1.09299200    2.98930100
 H                  0.88445500    1.23205100    3.38463700
 H                 -0.84036000    1.26138100    3.80644100
 H                 -0.20809500    0.05755900    2.64736100

-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



