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

3Pd + 4ACO + 2Gly

0 1
 Pd                 1.87706700    0.62661500    0.03860600
 Pd                -0.42602600   -1.63738700   -0.34272400
 Pd                -1.27970600    1.32357800    0.32587300
 O                  1.78037200    2.13861400    1.41087800
 O                  2.63001800   -0.70164100   -1.31955200
 O                  0.80258000   -1.88325600   -1.94785800
 O                 -1.87331000   -1.30887400   -1.72757100
 O                 -1.80463500   -1.87217600    1.14435500
 O                 -2.35024600    0.26571000    1.68726400
 O                 -0.41829000    2.20237700    1.95269300
 O                 -2.54493600    0.79261600   -1.18781300
 C                  2.00738300   -1.50895100   -2.07358000
 C                  0.80001900    2.50796200    2.12536300
 C                 -2.58220300   -0.26633500   -1.88354200
 C                 -2.40666500   -0.99493100    1.83410300
 C                  2.77066600   -2.05434200   -3.25949400
 H                  2.35272700   -3.00921000   -3.58283900
 H                  2.68593300   -1.33564900   -4.08296600
 H                  3.82836600   -2.16272600   -3.00984300
 C                 -3.54409200   -0.28123900   -3.04711900
 H                 -3.84823700   -1.30216300   -3.28506200
 H                 -4.41569700    0.34038100   -2.83248300
 H                 -3.00826200    0.14685600   -3.90101400
 C                  1.12408000    3.37322900    3.32246500
 H                  1.98758400    4.00641600    3.10761900
 H                  0.26296100    3.98103400    3.60539100
 H                  1.38211800    2.71620600    4.16127400
 C                 -3.25495500   -1.49505400    2.97863400
 H                 -2.58979800   -1.59003100    3.84352300
 H                 -4.05071000   -0.78453000    3.20958100
 H                 -3.67124700   -2.47747000    2.74681500
 O                  0.94932800   -2.36599300    0.99379300
 C                  1.77363300   -1.77051700    1.74125900
 O                  2.26946200   -0.61217500    1.60012900
 C                  2.28116800   -2.54725200    2.96335900
 H                  2.57707400   -1.81863300    3.72117200
 H                  3.16902300   -3.11380000    2.66906600
 N                  1.29417400   -3.46082000    3.49177300
 C                  0.09561300   -2.98100200    3.92797500
 O                 -0.11331300   -1.76763000    4.02397300
 C                 -0.95735000   -4.01682800    4.26230700
 H                 -1.65550200   -4.08001200    3.42004200
 H                 -1.51736300   -3.68708600    5.14052400
 H                 -0.54072200   -5.01081000    4.44676300
 H                  1.37811000   -4.44240000    3.26747500
 O                 -0.47409900    2.66836200   -0.99788100
 C                  0.56976900    2.60821200   -1.70478400
 O                  1.60657200    1.90143300   -1.52084500
 C                  0.62703200    3.52903800   -2.93102900
 H                  1.28570600    3.06095200   -3.66589400
 H                  1.07377300    4.48057700   -2.62960600
 N                 -0.67630000    3.78101300   -3.50124100
 C                 -1.43119900    2.73862600   -3.94889900
 O                 -0.96957500    1.59543100   -4.02013100
 C                 -2.86075200    3.06436300   -4.32842500
 H                 -3.51306600    2.75676000   -3.50339900
 H                 -3.13766100    2.48396700   -5.21165000
 H                 -3.02292400    4.12783600   -4.52468300
 H                 -1.12693500    4.66248800   -3.30002100

-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



