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

[Pd-(OAc)2]2

0 1
 Pd                 1.77946100    0.49557700    0.00152500
 Pd                -0.45939700   -1.78517200    0.00101200
 Pd                -1.31917300    1.29082400   -0.00041300
 O                  1.62643700    2.08406600    1.28264800
 O                  1.62879200    1.69949000   -1.63285200
 O                  2.27376600   -0.61319400    1.63571300
 O                  2.47178500   -0.93904600   -1.28142400
 O                  0.65589100   -2.25463800   -1.63639700
 O                 -2.05191400   -1.67033500   -1.27828500
 O                  0.99228600   -2.45266100    1.27928800
 O                 -1.66364700   -1.65840800    1.63687400
 O                 -2.62410500    0.36693800    1.27659600
 O                 -0.60873400    2.27117400    1.63570100
 O                 -0.42109000    2.60905600   -1.28158700
 O                 -2.28169700    0.55881600   -1.63878500
 C                  1.83408700   -1.85335900   -1.88773900
 C                  1.89644600   -1.79978800    1.88440000
 C                  0.60703200    2.53693400    1.88759200
 C                  0.69157100    2.51857800   -1.88400800
 C                 -2.52497000   -0.66248800   -1.88646900
 C                 -2.50560900   -0.74084400    1.88415100
 C                  2.54149000   -2.50988500   -3.05169200
 H                  2.15010600   -3.51356300   -3.22608900
 H                  2.36642200   -1.90293500   -3.94764200
 H                  3.61755500   -2.54353700   -2.86844700
 C                 -3.45060200   -0.95000900   -3.04687000
 H                 -4.03370400   -1.85191000   -2.84815000
 H                 -4.10963500   -0.10102700   -3.23590600
 H                 -2.83978000   -1.12888800   -3.93938100
 C                  0.90940900    3.46468300   -3.04312200
 H                  0.49429800    3.00348800   -3.94686400
 H                  0.38257500    4.40489300   -2.86722500
 H                  1.97440400    3.64452500   -3.19983300
 C                  0.87096600    3.46668300    3.05034500
 H                  1.77781800    4.04789500    2.87051000
 H                  0.01853800    4.12717700    3.21833200
 H                  1.02707100    2.85836300    3.94888200
 C                  2.57396000   -2.49935600    3.04101700
 H                  3.56514800   -2.07930500    3.21999200
 H                  1.96176100   -2.35383700    3.93859900
 H                  2.64115900   -3.57170900    2.84542000
 C                 -3.44668800   -0.97789800    3.04351800
 H                 -3.01496900   -0.51417000    3.93809100
 H                 -4.41165800   -0.50538800    2.84777500
 H                 -3.57280100   -2.04615400    3.22762200

-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



