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

3Pd + 3ACO + 3Gly

0 1
 Pd                 0.89155800    0.90145000    3.20995200
 Pd                -1.54909900   -1.26302600    2.80538200
 Pd                -2.21407700    1.77478300    3.27126100
 O                  0.86299200    2.49191000    4.48536900
 O                 -2.92564200   -0.94532000    1.34866700
 O                 -3.00469300   -1.30854700    4.24437000
 O                 -3.33152900    0.89179200    4.71759500
 O                 -1.35539700    2.81151200    4.80919300
 O                 -3.53763100    1.18616600    1.82735200
 C                 -0.13264000    3.02834600    5.05911600
 C                 -3.61537800    0.10691500    1.16786300
 C                 -3.52480800   -0.35189700    4.89552700
 C                 -4.60616300    0.08142000    0.02954100
 H                 -4.88283600   -0.94362000   -0.22320400
 H                 -5.49178700    0.66693700    0.28702700
 H                 -4.11118200    0.55342800   -0.82613800
 C                  0.17248500    3.99914600    6.17811200
 H                  1.13594200    4.48405700    6.00888300
 H                 -0.62141400    4.74284200    6.26844000
 H                  0.22993000    3.43486900    7.11625600
 C                 -4.44681600   -0.72576200    6.03132600
 H                 -3.81913700   -0.83904700    6.92149300
 H                 -5.18361100    0.06068700    6.20521600
 H                 -4.94094000   -1.67750700    5.82586700
 O                 -0.27701100   -1.98882700    4.24499800
 C                  0.54788400   -1.40898900    5.00414900
 O                  1.11322400   -0.28532600    4.84379400
 C                  0.96187900   -2.16474000    6.27418700
 H                  1.27357200   -1.42532000    7.01495400
 H                  1.82347900   -2.79472400    6.03600200
 N                 -0.09777900   -2.99579700    6.79800500
 C                 -1.27749700   -2.42579600    7.17145200
 O                 -1.41067800   -1.19859900    7.21469300
 C                 -2.40617500   -3.37877000    7.50436500
 H                 -3.07849500   -3.42939900    6.64044400
 H                 -2.97273400   -2.98074100    8.34945700
 H                 -2.06113600   -4.38943200    7.73900200
 H                 -0.06747300   -3.98879400    6.61391100
 O                 -1.32732400    2.87748500    1.78723600
 C                 -0.22782400    2.72657300    1.18490800
 O                  0.80300900    2.09705100    1.57193400
 C                 -0.08887500    3.37119800   -0.20063500
 H                  0.31765500    2.59628800   -0.85675100
 H                  0.63990700    4.18402700   -0.14028000
 N                 -1.33676100    3.87549800   -0.72564200
 C                 -2.32981400    3.00838600   -1.08315200
 O                 -2.13032200    1.79628800   -1.18878400
 C                 -3.69355500    3.62040200   -1.33212800
 H                 -4.32526200    3.40660700   -0.46209200
 H                 -4.14721300    3.13837100   -2.20165700
 H                 -3.66481700    4.70247900   -1.48736100
 H                 -1.59999800    4.81905900   -0.47482700
 O                  1.58072900   -0.55093600    1.94887000
 C                  0.93716200   -1.30711400    1.17020100
 O                 -0.27589500   -1.65337800    1.25915700
 C                  1.72364700   -1.90405900   -0.00496100
 H                  1.01612500   -2.13893100   -0.80168900
 H                  2.18993400   -2.83541500    0.32887200
 N                  2.75003900   -1.00735700   -0.48968100
 C                  2.38198900    0.19238600   -1.02956600
 O                  1.20501800    0.43317500   -1.30654400
 C                  3.48702100    1.20383700   -1.24744900
 H                  3.41808200    1.95646000   -0.45314500
 H                  3.32475900    1.70920100   -2.20269400
 H                  4.48854200    0.76525800   -1.22966300
 H                  3.67919700   -1.09954000   -0.10276800

-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



