%nprocshared=12
%mem=20GB
#p b3lyp/genecp EmpiricalDispersion=GD3 scrf=(smd,solvent=toluene) 

G

0 1
 C                 -2.27867600    0.80647200   -0.13547000
 N                 -3.46646300    0.22571300   -0.37568900
 N                 -2.40359000    2.14003000   -0.24917400
 C                 -4.48641300    1.20941700   -0.79866300
 H                 -5.41438100    1.05537500   -0.24340800
 H                 -4.69017600    1.08777100   -1.86856600
 C                 -3.80513000    2.54973600   -0.47749900
 H                 -4.20478500    3.01539800    0.42993400
 H                 -3.86108700    3.26958800   -1.29763300
 Cl                 0.02934800   -0.54991100   -1.95870300
 Cl                -1.24907800    0.00621800    2.70913700
 Ru                -0.53172300   -0.11476200    0.35939300
 C                 -3.69245300   -1.18839800   -0.49267500
 C                 -4.17752800   -1.89073400    0.62748600
 C                 -3.48159400   -1.82599500   -1.72790200
 C                 -4.34890900   -3.27246100    0.51295500
 C                 -3.66470400   -3.21278000   -1.78987600
 C                 -4.07445800   -3.95483000   -0.67913000
 H                 -4.71108400   -3.82917400    1.37457900
 H                 -3.48641800   -3.72044800   -2.73548100
 C                 -1.33915600    3.09231500   -0.09893400
 C                 -0.58686000    3.43969600   -1.23835500
 C                 -1.11412500    3.70413200    1.14765100
 C                  0.46069300    4.35176000   -1.08288900
 C                 -0.04917200    4.60675500    1.25228400
 C                  0.75768600    4.93011700    0.15658100
 H                  1.05778100    4.61719600   -1.95224700
 H                  0.14752600    5.07252000    2.21548200
 C                 -4.53483700   -1.17027500    1.90223100
 H                 -3.65424000   -0.70719000    2.35667300
 C                 -3.15140400   -1.05942800   -2.98514400
 H                 -2.63166700   -0.12334100   -2.78085000
 C                 -2.01784600    3.45150200    2.32740700
 H                 -2.32789100    2.40684900    2.38790600
 C                 -0.91054500    2.86198400   -2.59252400
 H                 -1.97129700    2.99391400   -2.84108000
 H                 -5.26540600   -0.37234500    1.71554500
 H                 -4.97416900   -1.86145500    2.62848300
 H                 -2.50746100   -1.64860700   -3.64385500
 H                 -4.07314900   -0.83227300   -3.53976800
 H                 -1.51360600    3.70238500    3.26575500
 H                 -2.91914800    4.07719100    2.26263800
 H                 -0.32003400    3.35143200   -3.37334700
 H                 -0.69705800    1.78916700   -2.62802600
 C                  1.93742300    5.85954000    0.30761300
 H                  2.85885200    5.28995400    0.49028400
 H                  2.09954400    6.45480600   -0.59801700
 H                  1.80639600    6.54703300    1.15015900
 C                 -4.21659300   -5.45602700   -0.75667900
 H                 -4.40048700   -5.79206400   -1.78292600
 H                 -3.30074300   -5.95304500   -0.40931700
 H                 -5.03831500   -5.81556600   -0.12690600
 C                  1.24730100    0.45236600    1.04714100
 H                  1.14221200    0.71539100    2.10270500
 C                  2.24712700    1.43058500    0.43983800
 H                  1.81111400    2.41452500    0.65307100
 H                  3.14169300    1.37623900    1.08321000
 C                  2.67596000    1.40311500   -1.03614200
 H                  2.99656500    2.42312700   -1.29496300
 H                  1.80702000    1.18526200   -1.65833600
 C                  3.82401700    0.44525600   -1.40586300
 C                  5.18626600    0.86563000   -0.82750000
 C                  6.41732100    0.13148700   -1.39480100
 C                  6.68242900   -1.28337400   -0.82480200
 C                  5.76219100   -2.34239700   -1.35585300
 C                  4.81913800   -3.04355700   -0.70355800
 H                  4.20378800   -3.75502500   -1.24646200
 C                  2.57505100   -3.05519700    2.18599600
 C                  2.14196700   -1.58850600    2.23202000
 C                  1.44043500   -1.13365100    0.93251500
 C                  0.10376200   -1.94956600    0.73901800
 H                 -0.27930400   -2.40160000    1.65462600
 H                  0.13148800   -2.62697500   -0.11386900
 O                  3.21819400   -3.38859400    0.93455300
 C                  4.43460800   -2.83166200    0.70750700
 O                  5.05521600   -2.22746500    1.56693300
 H                  2.05343000   -1.31451100    0.05164800
 H                  1.71778500   -3.72984300    2.22857000
 H                  3.25122700   -3.27686100    3.01751300
 H                  6.34802200    0.08668900   -2.49167000
 H                  7.30755600    0.73343500   -1.16989300
 H                  3.02350500   -0.96240600    2.39246500
 H                  1.46577700   -1.44643200    3.08215700
 H                  5.86800100   -2.54807900   -2.42240600
 H                  3.90403600    0.42065900   -2.50236500
 H                  3.58229600   -0.57761800   -1.10463600
 H                  5.18420700    0.75756400    0.26569200
 H                  5.31819900    1.93961700   -1.02656700
 H                  6.64645100   -1.25283600    0.26493700
 H                  7.70388900   -1.57297500   -1.11388100

-O -N -C -H -Cl 0
cc-pvTZ
****
Ru     0
S    9   1.00
    208.2500000              0.0005230
     18.8471000             -0.0449130
     11.7818000              0.2576260
      7.3619500             -0.2091300
      4.2777100             -0.5106620
      1.1910700              0.8032470
      0.5485680              0.4984140
      0.1386940              0.0337660
      0.0676510             -0.0120940
S    9   1.00
    208.2500000             -0.0001750
     18.8471000              0.0148030
     11.7818000             -0.0875270
      7.3619500              0.0842820
      4.2777100              0.1549110
      1.1910700             -0.3381410
      0.5485680             -0.3160050
      0.1386940              0.2835260
      0.0676510              0.6092730
S    9   1.00
    208.2500000             -0.0001820
     18.8471000              0.0052730
     11.7818000             -0.0785570
      7.3619500             -0.0138970
      4.2777100              0.5479870
      1.1910700             -1.4980850
      0.5485680              0.4795000
      0.1386940              2.1402540
      0.0676510             -1.4545610
S    9   1.00
    208.2500000             -0.0006350
     18.8471000              0.0517470
     11.7818000             -0.3171890
      7.3619500              0.3298480
      4.2777100              0.6270530
      1.1910700             -3.4222090
      0.5485680              3.8479480
      0.1386940             -1.6239260
      0.0676510             -0.6032230
S    1   1.00
      0.0301410              1.0000000
P    8   1.00
     22.7753000             -0.0015440
     14.2340000              0.0257710
      5.9875500             -0.1865980
      1.6392400              0.4427740
      0.8278800              0.4781510
      0.4090100              0.2083690
      0.1718770              0.0246350
      0.0712710             -0.0002190
P    8   1.00
     22.7753000             -0.0001480
     14.2340000             -0.0091740
      5.9875500              0.0813740
      1.6392400             -0.2361250
      0.8278800             -0.2943330
      0.4090100              0.0150980
      0.1718770              0.6560890
      0.0712710              0.4389440
P    8   1.00
     22.7753000             -0.0000630
     14.2340000             -0.0114610
      5.9875500              0.0999930
      1.6392400             -0.3036410
      0.8278800             -0.3638860
      0.4090100              0.1659350
      0.1718770              0.7005450
      0.0712710              0.3189430
P    8   1.00
     22.7753000              0.0011030
     14.2340000             -0.0225190
      5.9875500              0.1821610
      1.6392400             -0.7313300
      0.8278800             -0.4901170
      0.4090100              1.5235390
      0.1718770             -0.0391820
      0.0712710             -0.8661830
P    1   1.00
      0.0292260              1.0000000
D    7   1.00
     25.8838000              0.0015230
      7.5925500             -0.0181620
      2.7129300              0.1096910
      1.3970800              0.2915970
      0.6825650              0.3620440
      0.3193780              0.2975140
      0.1417810              0.1610370
D    7   1.00
     25.8838000             -0.0015510
      7.5925500              0.0190350
      2.7129300             -0.1257740
      1.3970800             -0.3632850
      0.6825650             -0.2793510
      0.3193780              0.2457120
      0.1417810              0.5472610
D    7   1.00
     25.8838000              0.0026560
      7.5925500             -0.0337600
      2.7129300              0.2929230
      1.3970800              0.6173710
      0.6825650             -0.3625300
      0.3193780             -0.8031580
      0.1417810              0.3154610
D    1   1.00
      0.0580170              1.0000000
F    1   1.00
      1.6965000              1.0000000
F    1   1.00
      0.4754000              1.0000000
G    1   1.00
      1.0311000              1.0000000
****

RU     0
RU-ECP     4     28
g potential
  1
2      1.0000000              0.0000000
s-g potential
  2
2     11.50059000           209.78649300
2      5.06857500            30.21430700
p-g potential
  4
2     10.53263400            48.75124400
2     10.19201000            97.49652900
2      4.73489200             7.86018800
2      4.50906500            15.32975100
d-g potential
  4
2      8.87797700            26.96750600
2      8.76612200            40.43230300
2      3.17019600             3.34075800
2      3.22885100             5.25635200
f-g potential
  2
2      7.82024900            -8.84752500
2      7.83964700           -11.83551800



