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

TS(B-C) 

0 1
 C                 -5.04795900    1.29334500    2.06586700
 C                 -3.65597300    0.92886600    1.60009900
 H                 -5.67268800    0.39749200    2.15091200
 H                 -5.53128300    1.96377000    1.34678100
 H                 -4.99100800    1.78632200    3.03664800
 O                 -2.67499700    1.23420700    2.37671100
 N                 -3.46079900    0.32634100    0.44840200
 C                 -4.56763300   -0.02787100   -0.43728400
 C                 -4.07289100   -0.73974800   -1.70617400
 H                 -5.12823700    0.86053500   -0.75554900
 H                 -5.28103900   -0.69855800    0.05861100
 O                 -4.89272000   -1.09818200   -2.54869300
 O                 -2.78385100   -0.92442100   -1.81611800
 Pd                -1.65346300   -0.21458100   -0.25020400
 C                  0.36497400    1.64047500    0.84305500
 C                 -0.37277500    0.53833500    1.31708600
 C                  1.75055500    1.73260600    1.01145200
 C                  2.41219700    0.73153600    1.74014800
 C                  0.32217400   -0.43723700    2.06485500
 C                  1.69595400   -0.33750800    2.28292300
 H                  3.48760900    0.78186200    1.88142000
 H                 -0.22053600   -1.29144600    2.45892000
 H                 -0.15477900    2.42768500    0.30066500
 H                 -1.59942300    0.84775600    1.79979900
 C                  2.49735400    2.88459200    0.40098700
 H                  1.84780200    3.75582400    0.29525700
 H                  3.37126500    3.17168100    0.98933900
 N                  3.03935100    2.61361200   -1.02184200
 C                  1.95289200    2.08588600   -1.92354200
 H                  1.59851300    1.12293300   -1.55421700
 H                  1.13062600    2.80230700   -1.93612400
 H                  2.36727900    1.97840500   -2.92667100
 C                  4.17270900    1.62346200   -0.97314900
 H                  4.54268200    1.47701800   -1.98887700
 H                  4.96606600    2.03502700   -0.34741300
 H                  3.83008500    0.67418700   -0.56408800
 C                  3.55236800    3.91866700   -1.57162200
 H                  4.31419200    4.30833200   -0.89559500
 H                  3.98388300    3.73923300   -2.55666100
 H                  2.72250800    4.62170700   -1.64868400
 C                  4.38158000   -3.28535200    1.51211100
 H                  3.95465700   -4.29198100    1.50276100
 H                  5.47155200   -3.35381400    1.45734000
 H                  4.12863100   -2.80409900    2.46349500
 C                  3.88672600   -2.40445500    0.37827700
 N                  2.84454000   -2.90049000   -0.33811000
 C                  2.09310000   -2.10975300   -1.29672100
 H                  2.60971700   -1.16386300   -1.44570700
 H                  2.04694100   -2.62760600   -2.26364200
 C                  0.65543300   -1.88603100   -0.79346100
 O                  0.14311800   -0.75555600   -1.15298800
 O                  0.11461600   -2.76887100   -0.11570300
 O                  4.42033700   -1.31521600    0.13890900
 H                  2.34786600   -3.70322800    0.02810000
 H                  2.21806100   -1.09758200    2.85701900

-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



