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

L

0 1
 Ru                 1.94906600   -0.22563300   -0.57495400
 C                  3.21622000   -1.46427900    0.44233800
 N                  2.80202400   -2.60044000    1.03072100
 N                  4.53755700   -1.32607000    0.61651900
 C                  3.91838000   -3.36131800    1.63129900
 H                  4.04665800   -4.31091100    1.10119500
 H                  3.70143700   -3.57361900    2.68129100
 C                  5.11075800   -2.40713500    1.44802700
 H                  5.95163300   -2.87262000    0.92867800
 H                  5.47200500   -1.99018400    2.39394300
 Cl                 1.17125100    0.61394100    1.56685100
 Cl                 2.87710800   -0.97094600   -2.70963100
 C                  1.82440300    1.60327900   -1.38084400
 C                  5.37503500   -0.29528600    0.07123500
 C                  5.49929100    0.92784700    0.75240200
 C                  6.11537500   -0.57267500   -1.09427000
 C                  6.34820200    1.89772600    0.20711500
 C                  6.93717200    0.43494400   -1.60512000
 C                  7.05813700    1.67920200   -0.97630000
 H                  6.45780000    2.84768200    0.72297500
 H                  7.50025300    0.23980000   -2.51533800
 C                  1.45886000   -3.10883000    1.06533700
 C                  0.97446900   -3.84545500   -0.03452900
 C                  0.68508200   -2.92562400    2.22497800
 C                 -0.33783700   -4.32362000    0.01963600
 C                 -0.62252800   -3.42688900    2.22992300
 C                 -1.15536500   -4.11630900    1.13720700
 H                 -0.72851000   -4.87887100   -0.83047900
 H                 -1.23889200   -3.26653900    3.11166800
 C                  6.07555200   -1.92657500   -1.75810900
 H                  5.08552500   -2.38090900   -1.69543000
 H                  6.33540700   -1.84618100   -2.81782500
 H                  6.80136700   -2.60986200   -1.29422600
 C                  4.74402000    1.20576000    2.02762600
 H                  5.24740300    1.98288000    2.61190400
 H                  3.72381700    1.54269200    1.81592500
 H                  4.65620400    0.31450400    2.65757700
 C                  7.92205500    2.76489400   -1.57160700
 H                  8.27706900    3.46347000   -0.80589800
 H                  8.79577600    2.34932300   -2.08615400
 H                  7.35801100    3.34934300   -2.31108900
 C                  1.84402700   -4.13469400   -1.23223700
 H                  2.81882500   -4.53742200   -0.93087000
 H                  1.36634700   -4.87105800   -1.88610600
 H                  2.04302500   -3.23568600   -1.82366500
 C                  1.23894500   -2.25531600    3.45694400
 H                  0.44441300   -1.75037000    4.01449100
 H                  1.68998300   -2.99936100    4.12908800
 H                  1.99301400   -1.50739600    3.20925900
 C                 -2.56745600   -4.65119900    1.16354400
 H                 -3.17396500   -4.15043600    1.92523300
 H                 -3.06192100   -4.51963300    0.19453200
 H                 -2.57757700   -5.72651300    1.38809300
 C                  1.66784400    2.84550700   -0.54766900
 O                  2.86495800    3.30046200   -0.12908600
 O                  0.61968000    3.42331800   -0.33716600
 C                  2.82029500    4.52388700    0.64064300
 H                  2.20440000    4.35853900    1.53123400
 H                  2.34594400    5.30793200    0.04141200
 C                  4.25341100    4.89375800    1.00536800
 C                  4.30020600    6.16033100    1.81650800
 C                  4.91476700    7.28326700    1.44220000
 H                  3.77740400    6.13113500    2.77410300
 H                  4.91624500    8.17204200    2.06891800
 H                  5.44472300    7.35608300    0.49359300
 H                  4.68191600    4.06485200    1.58199300
 H                  4.84682600    4.99768100    0.08938800
 H                  2.54651000    1.73912800   -2.18719500
 C                -12.72611900    4.84304700   -0.36024600
 H                -13.54201000    4.27623900   -0.80624100
 H                -12.74127000    5.91941600   -0.51477800
 C                -11.76242200    4.24810700    0.34401000
 H                -10.96149600    4.85426200    0.77091300
 C                -11.66866300    2.76690900    0.59471800
 H                -11.63256200    2.56816400    1.67515600
 H                -12.55107700    2.25175200    0.19715700
 C                -10.41176300    2.17814800   -0.03957100
 H                 -9.50314400    2.66952500    0.32693200
 H                -10.42823500    2.28005600   -1.12998000
 C                 -9.37885000   -1.32414200    0.28593000
 C                 -8.52561700   -2.28918600   -0.10022100
 H                 -8.69630200   -3.28291800    0.31488800
 C                 -7.33233600   -2.14825000   -1.00265800
 H                 -7.52806200   -1.39963700   -1.77461600
 H                 -7.14073200   -3.10907900   -1.49786300
 C                 -6.07175000   -1.72115000   -0.21862400
 H                 -5.85816600   -2.45666800    0.57035100
 H                 -6.28563400   -0.76914300    0.28136600
 C                 -4.84399500   -1.56271000   -1.12183800
 H                 -5.06139700   -0.81233600   -1.89543400
 H                 -4.65338500   -2.50763100   -1.65313000
 C                 -3.58565100   -1.15251100   -0.34906000
 H                 -3.36461800   -1.91123700    0.41541400
 H                 -3.77902700   -0.21693300    0.19501700
 C                 -2.35223200   -0.97137700   -1.24168700
 H                 -2.53367500   -0.16080700   -1.96240900
 H                 -2.19100200   -1.88484400   -1.83338900
 C                 -1.08754900   -0.67390500   -0.41924500
 H                 -0.91569500   -1.50645400    0.27041200
 H                 -1.22894300    0.21480700    0.20176600
 O                -10.36919800    0.77871200    0.31026400
 C                 -9.29868300    0.08579800   -0.14732000
 O                 -8.41482900    0.60048900   -0.81344400
 C                  0.14096300   -0.51849300   -1.29216800
 H                  0.16175000   -1.22544100   -2.12696500
 C                  0.47481600    0.95981600   -1.83542500
 H                -10.20125500   -1.56027500    0.95508200
 H                 -0.31848400    1.60672100   -1.45866200
 H                  0.50553600    0.87981700   -2.92266000

-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



