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

3Pd + 0ACO + 6Gly

0 1
 Pd                -1.40712400   -0.13807700   -1.88605000
 Pd                -4.20276500    1.06677400   -3.00104600
 Pd                -2.83814400    2.55047900   -0.60327700
 O                 -4.51283600   -0.88327400   -2.45151200
 C                 -3.90122000   -1.63907400   -1.64559100
 O                 -2.67079200   -1.62463300   -1.33394000
 C                 -4.72431500   -2.72358900   -0.93793400
 H                 -4.41281100   -2.71224200    0.11027200
 H                 -4.46538100   -3.69813300   -1.36079400
 N                 -6.15000900   -2.51263200   -1.04979900
 C                 -6.72885600   -1.42181900   -0.46438300
 O                 -6.12671300   -0.72327200    0.35382400
 C                 -8.14759300   -1.11142200   -0.89577900
 H                 -8.10518400   -0.29546600   -1.62653200
 H                 -8.71664100   -0.76092400   -0.03150600
 H                 -8.65948700   -1.96387000   -1.35104000
 H                 -6.61890600   -2.92317500   -1.84614100
 O                 -0.88430800    2.98163800   -1.06126400
 C                 -0.11941000    2.50500200   -1.94594400
 O                 -0.11468900    1.33589300   -2.43743000
 C                  0.97212900    3.44012100   -2.48610500
 H                  1.16150300    3.16477300   -3.52548600
 H                  1.89041100    3.27109600   -1.91686500
 N                  0.60482900    4.83464700   -2.39031700
 C                 -0.48760500    5.29366800   -3.06639600
 O                 -1.05269900    4.60958200   -3.92435300
 C                 -0.97690500    6.67370800   -2.67962400
 H                 -1.83274600    6.54489600   -2.00698400
 H                 -1.31515300    7.20029600   -3.57554600
 H                 -0.22022100    7.27570600   -2.16921000
 H                  0.91810700    5.34886000   -1.57849100
 O                 -0.88583600   -0.03053700    0.08981400
 C                 -1.53665800    0.45962500    1.05397800
 O                 -2.39463400    1.38784000    1.00932800
 C                 -1.23157700   -0.11596200    2.44342900
 H                 -2.08751400    0.07910300    3.09067200
 H                 -0.36124500    0.40671700    2.85057700
 N                 -0.95311100   -1.53519800    2.39352200
 C                 -1.95055000   -2.39638400    2.02966900
 O                 -3.12383200   -2.02433700    1.96413900
 C                 -1.53111500   -3.81183500    1.69578600
 H                 -1.51275900   -3.90872100    0.60374200
 H                 -2.28043000   -4.50687700    2.08223700
 H                 -0.54569400   -4.07724200    2.08852900
 H                  0.00619000   -1.82050400    2.25083100
 O                 -3.05657000    0.66731200   -4.64572700
 C                 -2.14240600   -0.19290500   -4.76826800
 O                 -1.45956800   -0.72283100   -3.84398500
 C                 -1.77623000   -0.63366500   -6.19021200
 H                 -1.45229300   -1.67572900   -6.13624700
 H                 -0.92639200   -0.03228800   -6.52512800
 N                 -2.86105200   -0.48532000   -7.13142400
 C                 -4.02813800   -1.16019300   -6.92426800
 O                 -4.12908000   -2.00237500   -6.02845000
 C                 -5.18145200   -0.80116500   -7.83944100
 H                 -5.84492800   -0.10644900   -7.31063400
 H                 -5.75147700   -1.70553100   -8.06483700
 H                 -4.85871500   -0.32990800   -8.77209000
 H                 -2.85487000    0.31214500   -7.75188500
 O                 -4.75753200    2.43063900    0.03655300
 C                 -5.76189000    2.06717800   -0.64345000
 O                 -5.77100000    1.52371500   -1.78532500
 C                 -7.12911100    2.33036200   -0.01282100
 H                 -7.27744000    1.57616900    0.76312600
 H                 -7.89493700    2.20700100   -0.78167100
 N                 -7.20054500    3.64615100    0.57929600
 C                 -6.99919000    3.83624100    1.91484800
 O                 -6.95107800    2.91095700    2.72798900
 C                 -6.83526100    5.28613800    2.33912400
 H                 -5.76484500    5.52077400    2.38742900
 H                 -7.25453300    5.41648000    3.33932200
 H                 -7.30919800    5.98871300    1.64784800
 H                 -7.03991500    4.42047400   -0.06523400
 O                 -3.36286400    4.06721500   -1.86387600
 C                 -3.92809400    4.01452500   -2.98980200
 O                 -4.22716600    2.98770000   -3.67063700
 C                 -4.27445100    5.34722300   -3.65610300
 H                 -5.10192100    5.17298700   -4.34899100
 H                 -3.39232200    5.65131100   -4.22485400
 N                 -4.60010800    6.38467900   -2.70060700
 C                 -5.57005200    6.21111100   -1.77050000
 O                 -6.24764600    5.17304700   -1.73247200
 C                 -5.75722100    7.32819500   -0.76697000
 H                 -5.33267500    7.00969800    0.19150800
 H                 -6.82726100    7.49571700   -0.62004900
 H                 -5.27993100    8.26521100   -1.06544700
 H                 -4.04681100    7.22890300   -2.69038100

-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



