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

I8

0 1
 C                  3.73633800   -2.25485000   -2.87203200
 C                  4.91314200   -1.99249100   -2.16541200
 C                  4.90795100   -1.92994000   -0.77322800
 C                  3.71253100   -2.11921500   -0.06381800
 C                  2.50608300   -2.38994700   -0.76720800
 C                  2.55258100   -2.45634100   -2.17066100
 H                  5.84859400   -1.84018400   -2.69807900
 H                  5.83247200   -1.73132000   -0.24630200
 H                  1.63690700   -2.65254700   -2.71468400
 C                  1.27524000   -2.62942600    0.00232800
 O                  3.61391100   -2.07357900    1.28603100
 C                  4.71018800   -1.62360600    2.11100100
 H                  5.24082200   -0.82736600    1.57786900
 C                  4.06838200   -1.03852500    3.36078600
 H                  3.51371500   -1.81113800    3.90453100
 H                  4.84016900   -0.63086300    4.02431300
 H                  3.36560700   -0.24684800    3.08971100
 Ru                -0.00311900   -0.41366100   -0.13343000
 C                 -0.13993400    1.61739600   -0.21627500
 N                 -1.25564300    2.37848800   -0.30806900
 N                  0.93164100    2.42821700   -0.35610800
 C                 -0.95535700    3.81669400   -0.47327900
 H                 -1.26322200    4.36752500    0.42231100
 H                 -1.50425900    4.21745100   -1.32927500
 C                  0.56335700    3.82013500   -0.68027000
 H                  1.08675300    4.51577800   -0.01930400
 H                  0.84866500    4.04155400   -1.71481200
 Cl                -0.07119700   -0.37910700   -2.54432200
 Cl                 0.47278000   -0.41829000    2.28617500
 H                  1.41606400   -2.68392400    1.07617300
 C                  0.02840200   -2.90839000   -0.48648600
 H                 -0.20663100   -2.96438600   -1.54309600
 H                 -0.73604800   -3.26348900    0.19795000
 C                 -1.74951300   -0.69727400    0.30115500
 H                 -2.09518600   -0.40635200    1.29580400
 C                  2.31967100    2.08720400   -0.21466800
 C                  2.90467500    2.22231200    1.06283100
 C                  3.09463900    1.76953500   -1.34377300
 C                  4.26907600    1.95711400    1.19702400
 C                  4.45838100    1.51151600   -1.15426400
 C                  5.06223600    1.59637600    0.10020300
 H                  4.72670700    2.04849100    2.17944500
 H                  5.05956400    1.24434600   -2.02033100
 C                 -2.61764500    2.00429900   -0.06230500
 C                 -3.09561600    2.02685200    1.26369400
 C                 -3.47406700    1.73561300   -1.14799200
 C                 -4.44556600    1.74025000    1.48564100
 C                 -4.81749700    1.45975600   -0.87234900
 C                 -5.32194200    1.45910800    0.43207500
 H                 -4.82004300    1.73724200    2.50669700
 H                 -5.48660500    1.24230400   -1.70217000
 C                  2.53905700    1.74857700   -2.74538500
 H                  3.05081400    2.49899600   -3.36252100
 H                  2.69970100    0.76983600   -3.20826300
 H                  1.46702600    1.93759500   -2.77425400
 C                  2.09260900    2.68424600    2.24598600
 H                  1.25582800    2.00848600    2.43753400
 H                  2.71039100    2.72412200    3.14870000
 H                  1.68246200    3.68937000    2.08097500
 C                  6.54429100    1.35135900    0.25762800
 H                  7.12143700    2.25015400    0.00113800
 H                  6.80462700    1.08211900    1.28708200
 H                  6.88830700    0.54846700   -0.40385800
 C                 -2.96539700    1.69570000   -2.56381200
 H                 -3.79421900    1.76111400   -3.27600400
 H                 -2.26449400    2.51003300   -2.77539100
 H                 -2.42411600    0.76138000   -2.74523700
 C                 -2.16394300    2.29941000    2.41746300
 H                 -2.70956900    2.30261900    3.36605100
 H                 -1.37861400    1.53683300    2.48067700
 H                 -1.66001400    3.26862900    2.31954700
 C                 -6.78560900    1.18606100    0.68365800
 H                 -7.14614300    0.34102500    0.08630700
 H                 -6.97953500    0.96547200    1.73854000
 H                 -7.39893800    2.05580300    0.41172900
 H                  3.74250700   -2.30749100   -3.95662500
 C                  5.64914800   -2.78876100    2.41347800
 H                  5.10923500   -3.57289000    2.95616200
 H                  6.05820200   -3.22897400    1.49854600
 H                  6.48577100   -2.45063600    3.03600600
 C                 -2.84084900   -1.40427900   -0.45520400
 O                 -3.87889100   -1.60443700    0.39560700
 O                 -2.85155500   -1.75876400   -1.61542900
 C                 -5.07096400   -2.18197900   -0.17061400
 H                 -4.81419600   -3.10174600   -0.70756000
 H                 -5.48990400   -1.47413800   -0.89425700
 C                 -6.03236800   -2.44480800    0.98437900
 C                 -7.34824100   -2.98319100    0.49241000
 C                 -8.53168800   -2.40091800    0.69390000
 H                 -7.30166100   -3.91381300   -0.07590500
 H                 -9.45443200   -2.83331700    0.31412500
 H                 -8.62480900   -1.47431600    1.25770500
 H                 -5.55823300   -3.16443700    1.66682200
 H                 -6.18152300   -1.51588700    1.54483000

-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



