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

H

0 1
 Ru                -0.13650700    0.21549500   -1.39019400
 C                  0.09027000   -0.04251700    0.54117600
 N                 -0.98680800   -0.13751000    1.36266800
 N                  1.20227600   -0.12588900    1.30699000
 C                 -0.62767200   -0.22502300    2.78643800
 H                 -1.11068100   -1.09258100    3.24532800
 H                 -0.96232300    0.67763800    3.31003900
 C                  0.90291400   -0.34859900    2.73539800
 H                  1.25720000   -1.33976700    3.03910300
 H                  1.41292600    0.40114800    3.34658100
 Cl                -0.39504100    2.57339400   -1.36587300
 Cl                -0.89394900   -1.96232600   -1.93380700
 C                  1.53559100    0.11395600   -2.04776200
 H                  2.49323500   -0.04577500   -1.55353500
 H                  1.58996000    0.23869500   -3.14562400
 C                  2.56431000   -0.13273600    0.87365700
 C                  3.26881000    1.08140000    0.83472800
 C                  3.15814400   -1.35067400    0.50203100
 C                  4.60038300    1.05385400    0.40806300
 C                  4.49296500   -1.32921500    0.08440700
 C                  5.22968200   -0.13938900    0.03311500
 H                  5.15694800    1.98734800    0.36046200
 H                  4.96410900   -2.26138000   -0.21957300
 C                 -2.36103900   -0.10079600    0.95399100
 C                 -3.03273600   -1.31831900    0.72125200
 C                 -3.03231300    1.13378900    0.87339600
 C                 -4.36174100   -1.26644300    0.29644100
 C                 -4.36356900    1.13230500    0.43993400
 C                 -5.03708200   -0.05155600    0.12730100
 H                 -4.88381000   -2.19915900    0.09376200
 H                 -4.88632400    2.08291600    0.35662700
 C                  2.34986700   -2.62390600    0.46809600
 H                  1.54649600   -2.55321800   -0.27575100
 H                  2.97891900   -3.48058300    0.20765900
 H                  1.87582600   -2.83759800    1.43357900
 C                  2.58512300    2.37935700    1.18429300
 H                  3.29474200    3.21234400    1.17127200
 H                  1.78448100    2.60128700    0.46865800
 H                  2.12608700    2.34412100    2.17999000
 C                  6.67756400   -0.14418700   -0.39537200
 H                  6.94873700    0.78760700   -0.90387700
 H                  7.34352900   -0.24667000    0.47232900
 H                  6.89438600   -0.97737500   -1.07256400
 C                 -2.37694000   -2.64992100    0.99133300
 H                 -2.56600800   -2.96157900    2.02875500
 H                 -2.78287100   -3.42586700    0.33612600
 H                 -1.29799500   -2.61760900    0.83730600
 C                 -2.39781600    2.42626800    1.32499600
 H                 -2.66368500    3.25041100    0.65718100
 H                 -2.75816000    2.68499900    2.33073500
 H                 -1.30974100    2.36952600    1.35451000
 C                 -6.45651400   -0.02533600   -0.38595900
 H                 -6.47316000   -0.03284500   -1.48408800
 H                 -7.02294600   -0.90038300   -0.04772100
 H                 -6.98821400    0.87432700   -0.05747400

-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




