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

B

0 1
 C                  4.03093800    2.16990100    1.57294200
 C                  3.26355300    1.44328300    0.47009300
 H                  4.55895400    1.45088100    2.21087000
 H                  3.37659600    2.77236300    2.21051400
 H                  4.77091700    2.81665900    1.09779200
 O                  3.72243500    1.41794900   -0.68496700
 N                  2.06026500    0.90072200    0.78881000
 C                  1.75832300    0.39431600    2.12688200
 C                  1.90257600   -1.13976100    2.13796700
 H                  0.71855000    0.63523500    2.38770300
 H                  2.39585800    0.82307500    2.90340600
 O                  2.02897200   -1.77867000    3.17428500
 O                  1.85318900   -1.70319900    0.94393100
 Pd                 1.26775500   -0.37863700   -0.50144600
 C                 -0.93242300    1.90652200   -0.26715600
 C                 -0.53737800    1.01088800   -1.29606000
 C                 -0.19244000    3.07187900   -0.09234600
 C                  0.89857200    3.38076000   -0.92459700
 C                  0.57463100    1.30013100   -2.11770000
 C                  1.28530400    2.50924400   -1.92805900
 H                 -0.45749800    3.75950700    0.70648000
 H                  1.44497000    4.30481100   -0.76404200
 H                  0.77678600    0.68194300   -2.98792700
 H                  2.13104800    2.73921200   -2.56452300
 N                 -0.89174400   -3.16624100   -0.55464000
 H                 -1.16257500    0.16555100   -1.54824000
 C                 -2.05187800    1.57097500    0.68565400
 H                 -2.12888200    0.50186600    0.89427900
 H                 -1.90601000    2.09755100    1.63079800
 N                 -3.47111100    1.96239900    0.22615200
 C                 -3.53941900    3.41872100   -0.13205900
 H                 -4.56850900    3.66211800   -0.39798700
 H                 -3.22580800    4.00856700    0.73008500
 H                 -2.87771400    3.60900300   -0.97618400
 C                 -3.89025600    1.12067200   -0.95071700
 H                 -3.21225200    1.31170200   -1.78165500
 H                 -3.85983900    0.07628400   -0.63374300
 H                 -4.90422900    1.40573700   -1.23360700
 C                 -4.40804300    1.67306100    1.37556600
 H                 -4.11916000    2.29347700    2.22481900
 H                 -5.42295800    1.92102300    1.06228500
 H                 -4.32463700    0.61256800    1.61599700
 C                 -1.66717900   -2.02122400   -0.12542600
 H                 -1.02737100   -1.32805100    0.42892700
 H                 -2.04979800   -1.49663300   -1.00623400
 C                  0.16534500   -3.08598800   -1.34826700
 O                  0.61939800   -1.97392300   -1.76822700
 C                  0.83605100   -4.35887300   -1.79014800
 H                  0.30733300   -5.25479400   -1.45670500
 H                  0.90488500   -4.36269800   -2.88216000
 H                  1.85663100   -4.37033400   -1.39329300
 C                 -2.86135800   -2.42169800    0.76852500
 O                 -3.00253600   -3.63774800    1.02797800
 O                 -3.56503900   -1.43679000    1.13092200
 H                 -1.25474100   -4.05531700   -0.21532900

-C -H -O -N 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



