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

K8

0 1
 C                 -2.85389900    2.88160800   -2.27970300
 C                 -4.16703200    3.05553700   -1.82996800
 C                 -4.60263500    2.46922100   -0.64255100
 C                 -3.72414600    1.67856400    0.11234500
 C                 -2.38538700    1.45658400   -0.34988300
 C                 -1.97949900    2.09885700   -1.53913400
 H                 -4.86218500    3.66692300   -2.40005200
 H                 -5.61789300    2.64081600   -0.30781700
 H                 -0.95955600    1.94790800   -1.86917500
 C                 -1.54951300    0.54066600    0.39615700
 O                 -4.04932700    1.10508600    1.29243000
 C                 -5.35250500    1.26746600    1.89604700
 H                 -6.11982100    1.16180300    1.11804900
 C                 -5.47887700    0.11807700    2.88626200
 H                 -4.68528100    0.17649700    3.63917300
 H                 -6.44793300    0.16202900    3.39516800
 H                 -5.39389900   -0.84391600    2.37319900
 Ru                 0.28415600    0.13035800    0.51340700
 C                  0.18248100   -1.72765000   -0.29710200
 N                  1.27109900   -2.52682700   -0.36825900
 N                 -0.86722100   -2.41199100   -0.80454300
 C                  0.98699600   -3.86382700   -0.91460200
 H                  1.18604100   -4.62553700   -0.15296100
 H                  1.62693400   -4.06193000   -1.77994500
 C                 -0.50175000   -3.76287600   -1.28091600
 H                 -1.11530600   -4.51684500   -0.77962200
 H                 -0.67865300   -3.83831900   -2.35870600
 Cl                 1.20508500    0.98979200   -1.57400900
 Cl                -0.13145900   -0.80148900    2.76390500
 H                 -2.12888300    0.00302600    1.14893600
 C                 -0.06325000    2.28155000    1.76485200
 H                 -0.51082800    3.03046200    1.11883800
 H                 -0.64927600    1.90423300    2.59462400
 C                  1.27209200    2.01152300    1.65292600
 H                  1.78849300    1.40077400    2.38994000
 C                 -2.19882200   -1.94083100   -1.03819500
 C                 -3.19629000   -2.21287400   -0.08666900
 C                 -2.49485300   -1.29680400   -2.25555600
 C                 -4.50249600   -1.79466600   -0.36476800
 C                 -3.81105000   -0.89347200   -2.48349500
 C                 -4.82734300   -1.12875900   -1.54900000
 H                 -5.28235800   -1.99252400    0.36613900
 H                 -4.04778600   -0.36732800   -3.40541900
 C                  2.59961600   -2.17179100    0.03666000
 C                  3.01516000   -2.41917900    1.36114500
 C                  3.49530900   -1.66962000   -0.92752300
 C                  4.30615700   -2.02903400    1.73111000
 C                  4.78202500   -1.31393800   -0.51070500
 C                  5.19761400   -1.45871900    0.81636100
 H                  4.62862800   -2.19735600    2.75693500
 H                  5.47766600   -0.92000100   -1.24853000
 C                 -1.41251100   -1.01458200   -3.26424200
 H                 -0.95252000   -1.93932400   -3.63616800
 H                 -1.81467600   -0.47405400   -4.12660500
 H                 -0.61128100   -0.41073400   -2.82632500
 C                 -2.86223700   -2.90796300    1.20804100
 H                 -2.11026400   -2.34865000    1.77613100
 H                 -3.75332700   -3.01682600    1.83410200
 H                 -2.45215800   -3.91147100    1.03606500
 C                 -6.23538000   -0.65916600   -1.82403500
 H                 -6.64525700   -1.13144700   -2.72608500
 H                 -6.90896000   -0.88915500   -0.99157200
 H                 -6.25741300    0.42478900   -1.98935200
 C                  3.13895900   -1.59410900   -2.39134300
 H                  3.50822800   -2.48840900   -2.91400900
 H                  2.06376700   -1.51821700   -2.55125000
 H                  3.60245300   -0.72231100   -2.86200900
 C                  2.16059800   -3.18313000    2.34205500
 H                  1.11041900   -3.20035500    2.05438500
 H                  2.52293600   -4.21861700    2.41501500
 H                  2.21381300   -2.74221300    3.34121200
 C                  6.57322000   -1.02056100    1.25780400
 H                  6.51764200   -0.09796900    1.84974000
 H                  7.05193300   -1.77955500    1.88814500
 H                  7.23025700   -0.82414800    0.40411500
 H                 -2.51837900    3.35601100   -3.19692000
 C                 -5.45088300    2.63252500    2.57301600
 H                 -5.29375600    3.45156100    1.86499800
 H                 -6.43958000    2.75751100    3.02883600
 H                 -4.69319600    2.71187700    3.36062500
 C                  2.11992000    2.82459500    0.73217800
 O                  3.38074800    2.34992100    0.71067900
 O                  1.74718900    3.80526400    0.12078900
 C                  4.26911300    2.97925100   -0.23635500
 H                  4.27255500    4.06183900   -0.06830400
 H                  3.88869500    2.78842100   -1.24485300
 C                  5.64972800    2.36596600   -0.03166600
 C                  6.66590500    2.96552800   -0.96463700
 C                  7.31474100    2.29132900   -1.91526100
 H                  6.85904300    4.03273300   -0.84170700
 H                  8.03811900    2.77289100   -2.56917300
 H                  7.14780900    1.22723800   -2.07629400
 H                  5.94963300    2.53392800    1.01271300
 H                  5.57919000    1.28484700   -0.18186700

-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



