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

C

0 1
 C                 -4.77239200    1.53033100    0.11858600
 C                 -3.41766100    1.07540900   -0.34757100
 H                 -4.78646200    1.65900400    1.20440200
 H                 -5.53491800    0.78943500   -0.14499200
 H                 -5.02281000    2.47736900   -0.36056800
 O                 -2.91890400    1.82964800   -1.32732900
 N                 -2.75955700    0.06604100    0.11672400
 C                 -3.33284500   -0.81361200    1.14133200
 C                 -3.02790900   -2.29953300    0.83587200
 H                 -4.41364800   -0.69668600    1.24305300
 H                 -2.87698600   -0.57392900    2.11087500
 O                 -3.68852100   -3.15562200    1.42835600
 O                 -2.07232100   -2.52686400   -0.00657700
 Pd                -1.01460600   -0.76434700   -0.59162200
 C                  0.34969000    1.02492800   -2.46363000
 C                 -0.06244300    0.93729900   -1.11771600
 C                  1.02190400    2.14174500   -2.96487400
 C                  1.30159500    3.22120400   -2.12433800
 C                  0.23673000    2.03604600   -0.27313500
 C                  0.90129200    3.16303200   -0.79246900
 H                  1.31830800    2.17060600   -4.01059900
 H                  0.14878300    0.19127400   -3.13006400
 H                 -2.02332900    1.49412200   -1.56703200
 C                 -0.19653200    2.09144300    1.16974000
 H                 -0.43470000    3.11651000    1.46309100
 H                 -1.06988700    1.46495800    1.34943200
 N                  0.84723300    1.62232000    2.21042300
 C                  2.14508700    2.37163600    2.06869400
 H                  2.61723500    2.08047400    1.13099500
 H                  1.94447500    3.44283600    2.09602300
 H                  2.78779900    2.09254200    2.90480800
 C                  1.12904500    0.15478100    2.04739900
 H                  1.83691900   -0.14777600    2.82082000
 H                  0.19862000   -0.40150300    2.14502500
 H                  1.56055900   -0.00843900    1.06683300
 C                  0.26683000    1.87516200    3.57437400
 H                 -0.68243600    1.34378500    3.65485300
 H                  0.96452100    1.50718100    4.32721300
 H                  0.10954700    2.94689200    3.70229800
 C                  5.24497700   -0.68741000    1.23352400
 H                  5.78971300    0.25444200    1.13027100
 H                  4.72070100   -0.66646000    2.19621800
 H                  5.95349600   -1.52037000    1.24138500
 C                  4.21271600   -0.78419000    0.12694500
 N                  4.06084000   -2.00250900   -0.45483800
 C                  2.94121800   -2.24966800   -1.34696900
 H                  2.96718000   -1.53711700   -2.17366000
 H                  3.04499800   -3.25662900   -1.76148000
 C                  1.58193200   -2.12417800   -0.61784400
 O                  0.62560300   -1.73717500   -1.39911200
 O                  1.50927600   -2.37579800    0.58906200
 O                  3.53985200    0.19523800   -0.21886300
 H                  4.50397300   -2.79878600   -0.01830900
 H                  1.09916100    4.01128300   -0.14139800
 H                  1.81217500    4.10199300   -2.50287000

-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


