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

TS(D-E) 

0 1
 C                 -4.65314300    2.16325800    0.12364000
 C                 -3.24249400    1.65447900   -0.06886400
 H                 -5.07800800    1.78301100    1.05871700
 H                 -5.29739800    1.82116500   -0.69379800
 H                 -4.64703300    3.25317700    0.14515600
 O                 -2.31143900    2.53241900   -0.20426100
 N                 -2.98419700    0.36399100   -0.09340100
 C                 -4.03952100   -0.63745900    0.05807600
 C                 -3.48638300   -2.06641300   -0.04866700
 H                 -4.81233800   -0.52491700   -0.71231300
 H                 -4.53711600   -0.54875200    1.03218100
 O                 -4.25717300   -3.01664700    0.05147500
 O                 -2.19837300   -2.18907800   -0.24365100
 Pd                -1.15428500   -0.42563400   -0.35704800
 C                  0.62213600    1.47877100   -1.75321500
 C                  0.03275200    1.38159000   -0.47281300
 C                  1.95910700    1.83537700   -1.91899300
 C                  2.73917500    2.11911300   -0.79527300
 C                  0.83064400    1.72907400    0.64959500
 C                  2.17003700    2.08612300    0.48152900
 H                  2.39770600    1.88018000   -2.91172600
 H                  3.79071300    2.36064400   -0.91041800
 H                  0.01931000    1.25131500   -2.62912600
 H                 -1.20110300    1.89457800   -0.37082900
 C                  0.23248400    1.78114800    2.03860000
 H                  0.95725600    2.15922600    2.76007400
 H                 -0.65430000    2.41950800    2.06221700
 N                 -0.19478900    0.41703400    2.53315300
 C                  5.79547400   -0.00682800    0.95138200
 H                  5.98279100   -0.67383000    1.79803700
 H                  6.74352500    0.26527600    0.48227000
 H                  5.33032000    0.91036900    1.33269200
 C                  4.87940500   -0.61547700   -0.09648900
 N                  4.03852000   -1.58854700    0.36468300
 C                  2.90429300   -2.05506100   -0.40953500
 H                  3.02675400   -1.71294200   -1.43659400
 H                  2.86648900   -3.15182500   -0.41531000
 C                  1.57937400   -1.52975500    0.16385100
 O                  0.64230700   -1.41155700   -0.69800300
 O                  1.52736400   -1.28598400    1.38998000
 O                  4.89864600   -0.24360600   -1.27107800
 H                  3.95381000   -1.70349900    1.36677600
 H                  2.77797400    2.33672300    1.34740300
 H                 -1.10976700    0.15994500    2.14465300
 H                  0.48213800   -0.32524000    2.17615700
 H                 -0.26206600    0.38568300    3.55431400

-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



