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

B

0 1
 C                  3.07993700   -3.54805000   -0.11781700
 C                  2.45617000   -2.24737900    0.38356000
 H                  3.87303600   -3.33707300   -0.84524700
 H                  2.34767800   -4.20642200   -0.59514600
 H                  3.52545700   -4.05920600    0.73779300
 O                  2.78221200   -1.79776900    1.49487300
 N                  1.50337500   -1.66126800   -0.39210700
 C                  1.55756800   -1.73860100   -1.85337500
 C                  2.24842400   -0.47534700   -2.40247800
 H                  0.53651700   -1.76878800   -2.25670500
 H                  2.07968200   -2.62580200   -2.21942300
 O                  2.73707600   -0.41986500   -3.52204700
 O                  2.25283900    0.54985400   -1.56473600
 Pd                 1.03598400    0.22687000    0.05237600
 C                 -1.72688100   -1.17468800    0.38206900
 C                 -1.09479700   -0.20395800    1.20664600
 C                 -1.46509500   -2.51868800    0.61331000
 C                 -0.61479800   -2.91470200    1.66235000
 C                 -0.22250300   -0.59942400    2.23748700
 C                  0.00506500   -1.97115100    2.46751400
 H                 -1.91102300   -3.27556900   -0.02617700
 H                 -0.43574900   -3.97240000    1.82991900
 H                  0.19577000    0.14639600    2.90709700
 H                  0.67446200   -2.27897500    3.26166900
 N                  0.85820500    2.45954100    0.20293800
 H                 -1.42396000    0.82416000    1.14212700
 C                 -2.60209500   -0.71273900   -0.75071800
 H                 -2.26876200    0.25555100   -1.12497300
 H                 -2.58736200   -1.42592300   -1.57736200
 N                 -4.09412900   -0.54127600   -0.39442700
 C                 -4.75387200   -1.88663200   -0.29125000
 H                 -5.80475000   -1.74452000   -0.03761700
 H                 -4.66520800   -2.40024400   -1.24938400
 H                 -4.25607700   -2.46014300    0.49076800
 C                 -4.27800400    0.20480800    0.90329900
 H                 -3.86217400   -0.39154100    1.71452700
 H                 -3.77042000    1.16639800    0.81410500
 H                 -5.34863700    0.34513400    1.05868300
 C                 -4.72149700    0.26742400   -1.50279200
 H                 -4.54608300   -0.24389000   -2.45031700
 H                 -5.79268900    0.34770100   -1.31344500
 H                 -4.24665200    1.25077600   -1.49340700
 C                 -0.48354700    3.04555100    0.43374800
 H                 -0.81366600    2.78610200    1.43852400
 H                 -0.41285700    4.13989200    0.38834100
 C                  1.87622800    2.80912700    1.14532100
 O                  1.59050000    3.00633600    2.31151100
 C                  3.27450200    2.89861600    0.58195700
 H                  3.47606800    2.09111300   -0.12742800
 H                  3.37296100    3.84896900    0.04175900
 H                  3.99534800    2.87914300    1.40064100
 C                 -1.49223200    2.54945600   -0.63119300
 O                 -1.01399100    2.10591900   -1.70657300
 O                 -2.70471800    2.62487200   -0.29693500
 H                  1.13487000    2.61764900   -0.76801300

-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



