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

F

0 1
 Ru                -0.21441100    0.26359600    0.43887700
 C                 -0.64694800   -1.67981400    0.11430700
 N                 -1.80011900   -2.32127800   -0.17745300
 N                  0.31902800   -2.61496200    0.27010600
 C                 -1.66199100   -3.79273600   -0.15029300
 H                 -2.05004400   -4.22456400   -1.07683000
 H                 -2.23381700   -4.20208000    0.68903200
 C                 -0.14859200   -3.98795300    0.01665900
 H                  0.33038300   -4.38470300   -0.88572100
 H                  0.10863700   -4.63366600    0.86119400
 Cl                -0.68052000   -0.10635500    2.82770700
 Cl                 0.51229900    0.63856300   -1.85277500
 C                 -1.90915500    0.91241100    0.17243800
 H                 -2.66183800    0.63769000    0.92388800
 C                 -2.44964600    1.76603400   -0.93368200
 H                 -2.69711700    1.04683900   -1.72898800
 C                 -0.33655800    4.04328500    0.91602100
 H                  0.48293200    4.77305900    0.89506000
 C                  0.20873600    2.77060600    1.50387900
 H                 -0.25813800    2.41895700    2.42030700
 C                  1.32523600    2.09631200    1.09610400
 H                  1.75117900    1.33150600    1.74545700
 C                 -3.71718500    2.57565200   -0.59374000
 H                 -4.25209800    2.77777700   -1.53117600
 H                 -4.38961300    1.95678900    0.01673800
 C                 -3.44104800    3.91249900    0.10936100
 H                 -2.77543800    4.50266900   -0.53593700
 H                 -4.37864300    4.48065600    0.16176900
 C                 -2.82873900    3.80029600    1.52914800
 H                 -2.62937000    2.75123100    1.78160100
 H                 -3.55915400    4.14221900    2.27270000
 C                 -1.53209200    4.60645400    1.70029500
 H                 -1.70790800    5.64147000    1.37787700
 H                 -1.26563500    4.65657900    2.76527700
 H                 -1.66992600    2.39990100   -1.36665200
 H                 -0.58122700    3.89259600   -0.14077500
 C                  2.20105500    2.58380800   -0.00224500
 O                  3.32797000    1.84398100   -0.06848700
 O                  1.98052400    3.54429500   -0.71530500
 C                  4.23259000    2.17034300   -1.14428500
 H                  4.39985200    3.25231500   -1.16410300
 H                  3.76560800    1.87841300   -2.09071100
 C                  5.52594300    1.40248000   -0.89563700
 H                  5.30151400    0.33306800   -0.85570000
 H                  5.91148300    1.69298000    0.09224000
 C                  6.55347800    1.68837900   -1.95628800
 C                  7.05942900    0.77709600   -2.78859600
 H                  6.88468000    2.72533300   -2.03562200
 H                  7.79980300    1.03572400   -3.54201400
 H                  6.75397200   -0.26745900   -2.74697300
 C                  1.71315400   -2.35794400    0.48544100
 C                  2.56137900   -2.20942800   -0.63007500
 C                  2.22795700   -2.38134000    1.79810600
 C                  3.92431500   -1.99889000   -0.39874100
 C                  3.59431800   -2.14121700    1.97491600
 C                  4.45693000   -1.93860000    0.89269900
 H                  4.58548800   -1.88953800   -1.25540500
 H                  3.99736600   -2.14105500    2.98601800
 C                 -3.05344000   -1.75176600   -0.56776600
 C                 -3.27097700   -1.48140800   -1.93081000
 C                 -4.06250200   -1.56078900    0.39232700
 C                 -4.51398900   -0.96692600   -2.31197200
 C                 -5.28788900   -1.03750500   -0.03600200
 C                 -5.53040600   -0.72878400   -1.37883800
 H                 -4.69063700   -0.74293000   -3.36172600
 H                 -6.07195000   -0.87012300    0.69926100
 C                 -6.84517900   -0.12388200   -1.80854500
 H                 -7.66205600   -0.41765100   -1.14037300
 H                 -6.79244000    0.97314200   -1.79643600
 H                 -7.11276100   -0.42414300   -2.82769400
 C                 -3.82839900   -1.89904300    1.84234400
 H                 -3.76088800   -2.98493000    1.99199900
 H                 -2.89520600   -1.46187700    2.21213600
 H                 -4.64968100   -1.53286300    2.46645100
 C                 -2.17733900   -1.70151200   -2.94437800
 H                 -1.79103300   -2.72767500   -2.90881300
 H                 -2.54180900   -1.51590500   -3.95956400
 H                 -1.33090400   -1.03047900   -2.75668400
 C                  1.38163300   -2.75228300    2.99076700
 H                  1.54762300   -2.06210100    3.82318500
 H                  0.31633500   -2.73355900    2.76526900
 H                  1.65247700   -3.75987700    3.33632500
 C                  5.92410900   -1.66767000    1.12336300
 H                  6.50831200   -1.78649600    0.20486600
 H                  6.07986100   -0.64230000    1.48237100
 H                  6.34048600   -2.34172200    1.88140500
 C                  2.06143600   -2.36326300   -2.04503100
 H                  2.21466500   -3.39598100   -2.38975000
 H                  1.00379000   -2.11925800   -2.14054400
 H                  2.60867200   -1.70369400   -2.72439500

-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



