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

L

0 1
 Ru                -2.40370900   -0.65474700   -0.39823200
 C                 -3.70623600    0.64218500    0.48747600
 N                 -3.38552500    1.89378000    0.85932600
 N                 -4.99139700    0.40220600    0.78760500
 C                 -4.51668400    2.60205600    1.49463200
 H                 -4.73062300    3.52786100    0.95254900
 H                 -4.26291600    2.85365800    2.52862000
 C                 -5.65820900    1.57129900    1.39842500
 H                 -6.47659800    1.90760600    0.75478900
 H                 -6.07123800    1.29883800    2.37388600
 Cl                -1.49797300   -1.30091100    1.77141700
 Cl                -3.35595800   -0.16168600   -2.59195400
 C                 -2.36995800   -2.55425400   -0.92813200
 C                 -5.71225800   -0.79942900    0.47377400
 C                 -5.68921100   -1.86473500    1.39375500
 C                 -6.46113400   -0.86602600   -0.71482700
 C                 -6.36805900   -3.03959200    1.05620300
 C                 -7.12261400   -2.06360700   -1.00642300
 C                 -7.07291300   -3.16513400   -0.14638900
 H                 -6.35119900   -3.87372800    1.75434900
 H                 -7.69152800   -2.13382500   -1.93114500
 C                 -2.08155700    2.48771200    0.75868700
 C                 -1.71708300    3.13276200   -0.44002200
 C                 -1.21828300    2.45409800    1.86847700
 C                 -0.43039200    3.67085500   -0.53283500
 C                  0.05736400    3.01441500    1.72662300
 C                  0.47424400    3.61298900    0.53432300
 H                 -0.13039800    4.15530700   -1.45961000
 H                  0.74265900    2.97169700    2.57016400
 C                 -6.61381200    0.32176500   -1.63206800
 H                 -5.73768400    0.97075800   -1.61303000
 H                 -6.75765300   -0.00192600   -2.66691600
 H                 -7.49467600    0.91472600   -1.34668500
 C                 -4.97377500   -1.74083500    2.71512800
 H                 -5.20718700   -2.59206200    3.36258300
 H                 -3.88775600   -1.70206700    2.58213800
 H                 -5.26649500   -0.82587100    3.24536900
 C                 -7.75677100   -4.46095900   -0.51126000
 H                 -8.04221100   -5.03128300    0.37951700
 H                 -8.65870400   -4.28633300   -1.10851700
 H                 -7.09097500   -5.09914300   -1.10782800
 C                 -2.68795900    3.25810500   -1.58660600
 H                 -3.65148500    3.66154000   -1.25072100
 H                 -2.29369500    3.92997800   -2.35562100
 H                 -2.89147100    2.28873600   -2.05269900
 C                 -1.64700900    1.87435700    3.19278100
 H                 -0.77916000    1.54447900    3.77145000
 H                 -2.17390500    2.63003100    3.79261400
 H                 -2.30405900    1.01267700    3.06638000
 C                  1.85497500    4.21062900    0.40041600
 H                  2.53074600    3.84460500    1.18025400
 H                  2.29937400    3.97332900   -0.57296100
 H                  1.82006300    5.30563100    0.48082800
 H                 -3.03362500   -2.83974100   -1.74411800
 C                 12.88880400   -4.15027100    0.65077800
 H                 13.63395500   -3.61907300    0.06046100
 H                 13.03584900   -5.22133600    0.76854100
 C                 11.85414900   -3.51804900    1.20607500
 H                 11.12905400   -4.08980200    1.78792300
 C                 11.58028400   -2.04307100    1.08444200
 H                 11.51898500   -1.58708300    2.08270700
 H                 12.39391500   -1.54250200    0.54638800
 C                 10.26172900   -1.78304900    0.36158600
 H                  9.41939200   -2.27277600    0.86361500
 H                 10.29168500   -2.14827500   -0.67059000
 C                  8.81093000    1.54444400   -0.14831800
 C                  7.84794900    2.27864700   -0.73286700
 H                  7.89740700    3.35665000   -0.57648700
 C                  6.68095200    1.78416500   -1.53995200
 H                  6.96354300    0.89599100   -2.11089800
 H                  6.37871500    2.56567400   -2.24919000
 C                  5.47818100    1.42307300   -0.64047100
 H                  5.19261000    2.29507000   -0.03454000
 H                  5.79628700    0.63944600    0.05738300
 C                  4.26746600    0.93877300   -1.44544500
 H                  4.55752700    0.06206700   -2.04217700
 H                  3.97077900    1.71728600   -2.16463600
 C                  3.06712500    0.58396600   -0.56091000
 H                  2.78861300    1.46106300    0.04065600
 H                  3.35795100   -0.19818200    0.15513300
 C                  1.84036100    0.11740000   -1.35362500
 H                  2.08068200   -0.80553900   -1.90130100
 H                  1.58898500    0.87341200   -2.11233200
 C                  0.61887400   -0.10635200   -0.44660900
 H                  0.40561000    0.83158900    0.07893900
 H                  0.83839000   -0.84601300    0.32838800
 O                 10.04851400   -0.35594800    0.35897400
 C                  8.90190100    0.07204600   -0.22208400
 O                  8.08662500   -0.69091000   -0.71517300
 C                 -0.62005000   -0.49949400   -1.22764500
 H                 -0.68296300    0.00922000   -2.19329800
 C                 -0.94565600   -2.06074400   -1.40519800
 H                  9.59829500    2.03228800    0.41907200
 H                 -0.19285400   -2.60503600   -0.83314000
 H                 -0.89971800   -2.24620700   -2.47997300
 H                 -2.32690700   -3.26828900   -0.10522900

-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





