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

I

0 1
 C                  3.30941700   -1.87811900   -2.86314000
 C                  4.43907300   -1.29207200   -2.28651700
 C                  4.52082800   -1.11086500   -0.90692100
 C                  3.46078200   -1.51078800   -0.08087900
 C                  2.31176500   -2.12801400   -0.64938500
 C                  2.26442800   -2.29326200   -2.04424600
 H                  5.26899500   -0.97256600   -2.91197300
 H                  5.40451800   -0.65271300   -0.48175600
 H                  1.38148200   -2.73732100   -2.48799200
 C                  1.25082800   -2.60022200    0.25489900
 O                  3.44640000   -1.36144100    1.26601500
 C                  4.47247600   -0.62243200    1.96116300
 H                  4.76947000    0.22975100    1.33950900
 C                  3.80911700   -0.10413500    3.22937900
 H                  3.47746700   -0.93873200    3.85655400
 H                  4.51619700    0.50530100    3.80411500
 H                  2.93317300    0.49989200    2.97999000
 Ru                -0.59293300   -0.87155000    0.04232600
 C                 -1.28199500    1.03241100   -0.08003000
 N                 -2.55816200    1.48499500   -0.08983900
 N                 -0.46185100    2.09880400   -0.22581200
 C                 -2.63289200    2.95985400   -0.13526800
 H                 -2.92656700    3.34637800    0.84760200
 H                 -3.37092100    3.28427300   -0.87200100
 C                 -1.19911800    3.34495400   -0.50970800
 H                 -0.80296100    4.17000600    0.08695700
 H                 -1.09618200    3.59699500   -1.57232000
 Cl                -0.99825500   -1.20474900   -2.35181800
 Cl                -0.14451000   -0.69507300    2.45294800
 H                  1.47303500   -2.48347400    1.30907900
 C                  0.11758600   -3.29499200   -0.07291900
 H                 -0.14362100   -3.56335700   -1.09086100
 H                 -0.45806600   -3.76723900    0.71724800
 C                 -2.18547300   -1.66407400    0.41530100
 H                 -2.49444700   -1.89932900    1.44061900
 H                 -2.86695700   -2.00921500   -0.37079100
 C                  0.97042000    2.08388700   -0.33061300
 C                  1.72388000    2.38898700    0.82162500
 C                  1.58501100    1.91606900   -1.58565200
 C                  3.11365900    2.46484700    0.70147200
 C                  2.98154900    1.99021100   -1.64928800
 C                  3.76041400    2.26588400   -0.52428600
 H                  3.70418000    2.69707000    1.58484600
 H                  3.46687900    1.83727500   -2.61028700
 C                 -3.75402500    0.71769800    0.08907800
 C                 -4.19987500    0.41607000    1.39018600
 C                 -4.49946500    0.34903100   -1.04814900
 C                 -5.37181600   -0.33727400    1.52722000
 C                 -5.66456400   -0.39821800   -0.85797000
 C                 -6.10778200   -0.76617200    0.41868000
 H                 -5.71716200   -0.58955200    2.52740900
 H                 -6.24078200   -0.70165200   -1.72940000
 C                  0.79569800    1.74037300   -2.85861800
 H                  1.29133700    1.02766500   -3.52490300
 H                 -0.21106700    1.36474400   -2.68071200
 H                  0.72418200    2.69767200   -3.39401500
 C                  1.04899700    2.65709200    2.14210300
 H                  0.53130000    1.76359700    2.50380400
 H                  1.77939200    2.96401800    2.89742400
 H                  0.30196000    3.45633500    2.05611900
 C                  5.26042300    2.39492400   -0.63901200
 H                  5.54717400    3.42476000   -0.89218600
 H                  5.76294600    2.14317000    0.30159100
 H                  5.65883700    1.74441900   -1.42456200
 C                 -4.05284900    0.74370800   -2.43205600
 H                 -4.74953300    0.36706700   -3.18751900
 H                 -3.99991900    1.83441400   -2.54325300
 H                 -3.05909800    0.34064700   -2.65033100
 C                 -3.43975500    0.88649200    2.60314100
 H                 -2.41229500    0.50967900    2.60487100
 H                 -3.38616200    1.98195700    2.64162500
 H                 -3.92686300    0.54718100    3.52266300
 C                 -7.34401600   -1.61655000    0.58724000
 H                 -7.10816300   -2.68056600    0.45018100
 H                 -7.77858100   -1.50420000    1.58633200
 H                 -8.11274100   -1.35942000   -0.15044500
 H                  3.24543400   -2.01481900   -3.93848400
 C                  5.66987100   -1.52611100    2.24435800
 H                  6.09759000   -1.93247200    1.32245000
 H                  6.45286800   -0.96601900    2.76873100
 H                  5.36303000   -2.36667700    2.87683000

-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




