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

3Pd + 5ACO + 1Gly

0 1
 Pd                 1.53553000    0.65692600    0.20768700
 Pd                -0.60734300   -1.67498800   -0.12260600
 Pd                -1.54076300    1.45437000    0.09309600
 O                  1.29853500    1.99991200    1.72470400
 O                  2.27442800   -0.56903300   -1.26083800
 O                  0.52528700   -1.91902900   -1.79317800
 O                 -2.20932700   -1.46484600   -1.37457900
 O                  0.85176600   -2.47637900    1.06350800
 O                  2.04440100   -0.65117900    1.68485700
 O                 -0.93180200    2.43033600    1.76606200
 O                 -2.45467600    0.77973000   -1.59597500
 C                  1.68314600   -1.43093700   -1.98036700
 C                  0.24871500    2.50936800    2.22424300
 C                 -2.68804200   -0.42468700   -1.91993600
 C                  1.72775500   -1.87817900    1.75837900
 C                  2.43123400   -1.90542300   -3.20615100
 H                  2.01225100   -2.84089000   -3.57985900
 H                  2.34530600   -1.13813400   -3.98403900
 H                  3.49119400   -2.02851100   -2.97080900
 C                 -3.61098700   -0.64815300   -3.09724000
 H                 -4.23934000   -1.52384300   -2.91819100
 H                 -4.22720900    0.23326200   -3.28114700
 H                 -2.99883800   -0.84719000   -3.98441000
 C                  0.41150800    3.25957400    3.52430800
 H                  1.45164100    3.55050200    3.67909100
 H                 -0.24044100    4.13588500    3.54366300
 H                  0.09623400    2.57637800    4.32064600
 C                  2.49832000   -2.71757800    2.75220300
 H                  3.37864200   -3.13134800    2.24663100
 H                  2.83871700   -2.10092800    3.58640600
 H                  1.88342900   -3.54472800    3.11192400
 O                 -0.67649100    2.86589300   -1.09611900
 C                  0.51356500    2.89222400   -1.53580700
 O                  1.45441100    2.09352300   -1.24193300
 C                  0.86086300    4.01132600   -2.49243800
 H                  1.55780800    3.65102400   -3.25260300
 H                  1.35736600    4.80847600   -1.92731100
 O                 -2.74509800    0.36210500    1.34151800
 C                 -2.53112300   -0.74083100    1.91746500
 O                 -1.76085000   -1.67748300    1.55196300
 C                 -3.32085800   -1.00441700    3.20669000
 H                 -2.76194100   -1.73167400    3.79900400
 H                 -4.28560800   -1.44564000    2.94154100
 N                 -3.54931200    0.20451600    3.96638200
 C                 -2.48435600    0.93267100    4.40956700
 O                 -1.33142600    0.49901100    4.32796000
 C                 -2.80091900    2.29925600    4.97909500
 H                 -2.57601200    3.04624800    4.20963600
 H                 -2.15048800    2.49050200    5.83581300
 H                 -3.84600800    2.40946400    5.28127600
 H                 -4.44976000    0.65628000    3.88668900
 H                 -0.03879600    4.41560200   -2.95896900

-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



