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

2Pd + 3ACO + 1Gly

0 1
 Pd                 0.28485900   -0.20871700   -1.26429000
 C                  1.89182200   -2.22031900    0.14309600
 O                  1.59645500   -1.78137400   -1.01959100
 C                  2.89263100   -3.34979800    0.19428800
 H                  2.78076500   -3.91962200    1.11824000
 H                  2.77572000   -3.99897500   -0.67585200
 H                  3.90008700   -2.91823100    0.16802200
 O                  1.46136500   -1.78746600    1.26324400
 Pd                 0.16879700   -0.18458800    1.36262300
 C                 -1.81166700   -1.83774700   -0.03036600
 O                 -1.30532100   -1.50966800   -1.15528400
 C                 -3.02757200   -2.73209100   -0.07778900
 H                 -3.91902100   -2.09659000   -0.13522600
 H                 -2.99865400   -3.36819100   -0.96441600
 H                 -3.09157200   -3.33692300    0.82863400
 O                 -1.42188500   -1.47122400    1.12805500
 O                 -1.10446600    1.41576400    1.12018100
 C                 -1.40980500    1.84518300   -0.04217400
 O                 -1.02195600    1.37827900   -1.16535000
 C                 -2.30245100    3.06215600   -0.09527600
 H                 -2.94643800    3.10174600    0.78515800
 H                 -1.66617900    3.95489600   -0.10148200
 H                 -2.89911600    3.05728100   -1.00941500
 C                  5.00084900    0.08193600   -1.31069600
 H                  5.47891300    0.11975100   -0.32661200
 H                  5.63168200   -0.48433900   -1.99727100
 H                  4.04216500   -0.43827000   -1.20435500
 C                  4.77361900    1.46210600   -1.90110200
 O                  5.05031400    1.72916000   -3.06887300
 N                  4.25265200    2.42354300   -1.06893600
 H                  3.99345500    3.27571500   -1.55228400
 C                  3.61680100    2.17708200    0.20255000
 H                  3.40188600    3.13343800    0.68690100
 H                  4.28021700    1.63012200    0.87945800
 C                  2.30609300    1.38137400    0.12837900
 O                  1.80316100    1.08177400    1.25781500
 O                  1.87743200    1.08376600   -1.02825400

-N -C -H -O 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



