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

TS(D-E) 

0 1
 C                  4.85770200    2.30157400   -0.35552700
 C                  3.49441600    1.73475300   -0.02212600
 H                  5.14604100    2.05737200   -1.38274400
 H                  5.61683300    1.87752100    0.31216100
 H                  4.84105500    3.38451000   -0.22830000
 O                  2.63486400    2.52510800    0.51461600
 N                  3.20094600    0.47581000   -0.26845000
 C                  4.16312500   -0.47812800   -0.80923400
 C                  3.72982500   -1.92698000   -0.52234500
 H                  5.16312200   -0.34305900   -0.38197900
 H                  4.25835100   -0.37109600   -1.89853700
 O                  4.47840100   -2.84940200   -0.83757300
 O                  2.56397600   -2.09292200    0.04548100
 Pd                 1.46920100   -0.36551000    0.30661500
 C                 -0.64027200    1.52585700    1.45860800
 C                  0.24589000    1.41800400    0.36608100
 C                 -1.93805700    2.00363300    1.29359600
 C                 -2.38166900    2.41389900    0.02939200
 C                 -0.21549900    1.86009300   -0.89472800
 C                 -1.50588500    2.35474100   -1.06429600
 H                 -2.61400800    2.05434700    2.14320600
 H                  0.45897800    1.83059100   -1.74688300
 H                 -0.31231200    1.21081100    2.44507600
 H                  1.49124800    1.83821900    0.56046700
 C                 -3.79605900    2.90087600   -0.15805100
 H                 -4.29564500    3.07029000    0.79670500
 H                 -3.84500900    3.81777000   -0.74988500
 N                 -4.61900400    1.86286200   -0.89030800
 C                 -5.28116400   -1.88232100   -1.19064000
 H                 -5.42338700   -2.95182600   -1.36520800
 H                 -6.23584700   -1.42984500   -0.90921500
 H                 -4.95084100   -1.41770600   -2.12696300
 C                 -4.25747900   -1.58341500   -0.11967200
 N                 -3.46976100   -2.59474400    0.28669100
 C                 -2.29550400   -2.34767300    1.10218300
 H                 -2.56091800   -1.67206500    1.91756800
 H                 -1.96261000   -3.29111500    1.54201100
 C                 -1.13269500   -1.71394500    0.30215500
 O                 -0.14171900   -1.40763800    1.07220100
 O                 -1.21959600   -1.55306800   -0.91752900
 O                 -4.14731400   -0.44383800    0.37987400
 H                 -3.50714500   -3.46220200   -0.23090100
 H                 -1.83319800    2.69822100   -2.04365500
 H                 -4.56296100    0.91994600   -0.39408700
 H                 -5.60005600    2.14866800   -0.96451300
 H                 -4.26915900    1.72491000   -1.84308600

-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



