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

3Pd + 2ACO + 4Gly

0 1
 Pd                -1.48567000    0.21261400   -1.79434300
 Pd                -4.21247100    1.49080700   -3.04318200
 Pd                -2.65471300    3.16858000   -0.89962200
 O                 -4.01369300    3.26938900   -3.99886000
 O                 -5.69582400    2.24004300   -1.86055300
 O                 -4.56246300    3.32900900   -0.22147000
 O                 -3.01004000    4.52237900   -2.38911000
 C                 -3.51726800    4.34469700   -3.53789700
 C                 -5.61950300    2.89312900   -0.77622300
 C                 -3.49834900    5.52602400   -4.47795900
 H                 -4.30665800    5.45225200   -5.20776000
 H                 -3.56912200    6.46097000   -3.91835500
 H                 -2.53452000    5.49920000   -4.99722700
 C                 -6.92070500    3.14845700   -0.05517800
 H                 -7.16241800    2.22886900    0.48905500
 H                 -6.82187800    3.97922200    0.64548800
 H                 -7.71801400    3.34553700   -0.77575800
 O                 -4.70206200   -0.32234900   -2.23047800
 C                 -4.10869700   -1.06663400   -1.40134600
 O                 -2.87236900   -1.10791200   -1.12207900
 C                 -4.97002700   -2.05813500   -0.60816800
 H                 -4.68296700   -1.94034300    0.44045400
 H                 -4.71563700   -3.07460600   -0.92048100
 N                 -6.38848900   -1.83802100   -0.77306700
 C                 -6.97194700   -0.71842900   -0.24943700
 O                 -6.39362200   -0.00474800    0.57275500
 C                 -8.36629000   -0.39810900   -0.74822400
 H                 -8.28413100    0.42059800   -1.47272500
 H                 -8.97397300   -0.04579900    0.08885300
 H                 -8.86221300   -1.24512900   -1.23033300
 H                 -6.83146500   -2.26659800   -1.57490300
 O                 -0.66515600    3.35902400   -1.37525700
 C                  0.09904000    2.67146700   -2.10722800
 O                 -0.01260500    1.45313600   -2.44165600
 C                  1.35458300    3.37506200   -2.64044900
 H                  1.64704900    2.87762300   -3.56757400
 H                  2.16001500    3.24305900   -1.91256300
 N                  1.14847500    4.78780900   -2.86319300
 C                  0.19154200    5.19811500   -3.74241900
 O                 -0.39572800    4.39371500   -4.47269300
 C                 -0.11673600    6.68059300   -3.75107800
 H                 -1.03986200    6.84078200   -3.18272900
 H                 -0.29365100    7.00390400   -4.77956300
 H                  0.67715500    7.28818700   -3.30810000
 H                  1.48569500    5.43826000   -2.16746000
 O                 -0.99001500    0.49372200    0.16664500
 C                 -1.56493500    1.19484100    1.04449600
 O                 -2.30555000    2.20414800    0.86412300
 C                 -1.31081600    0.79999900    2.50570400
 H                 -2.15217800    1.15479000    3.10319900
 H                 -0.40511700    1.30867600    2.84825400
 N                 -1.14285000   -0.62738000    2.66813200
 C                 -2.18591100   -1.45764600    2.37024200
 O                 -3.31694000   -1.01242600    2.16470200
 C                 -1.87063600   -2.93624700    2.29081200
 H                 -1.80364700   -3.21391900    1.23227500
 H                 -2.69485700   -3.50053500    2.73383500
 H                 -0.93313000   -3.20715000    2.78431300
 H                 -0.20384300   -1.00030100    2.64364400
 O                 -3.17018800    0.73293500   -4.62704000
 C                 -2.26902100   -0.14833100   -4.65004800
 O                 -1.56227200   -0.55497100   -3.68273000
 C                 -1.94808700   -0.78537900   -6.00771900
 H                 -1.59747100   -1.80259800   -5.81825000
 H                 -1.12805700   -0.22243500   -6.46233500
 N                 -3.07366000   -0.79322100   -6.91249000
 C                 -4.22140300   -1.43310700   -6.54872200
 O                 -4.27242000   -2.11759200   -5.52348100
 C                 -5.41696300   -1.23703500   -7.45898700
 H                 -6.07202500   -0.47612500   -7.01817700
 H                 -5.97829100   -2.17272700   -7.51499700
 H                 -5.14076600   -0.91483300   -8.46692400
 H                 -3.10112300   -0.11010200   -7.65644600

-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



