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

K

0 1
 C                 -3.22766400   -0.22526100    3.24670100
 C                 -4.47959300   -0.53680700    2.70642700
 C                 -4.60276200   -0.96459600    1.38552600
 C                 -3.46332400   -1.07872100    0.57526600
 C                 -2.17179000   -0.74647500    1.10217200
 C                 -2.09617300   -0.33767400    2.45053800
 H                 -5.37425800   -0.45647300    3.31900200
 H                 -5.58270200   -1.21324900    0.99777500
 H                 -1.11872200   -0.09271800    2.84571700
 C                 -1.03714600   -0.78801500    0.20123300
 O                 -3.49208400   -1.50783400   -0.70604700
 C                 -4.72369400   -1.85948700   -1.37405400
 H                 -5.49380700   -1.12379000   -1.10806400
 C                 -4.41551300   -1.75066800   -2.86101100
 H                 -3.60924500   -2.44048700   -3.13306700
 H                 -5.30409100   -1.99969700   -3.45136200
 H                 -4.09687700   -0.73553000   -3.11483300
 Ru                 0.83852100   -0.79838100    0.32488900
 C                  1.17168400    1.05663700   -0.41358100
 N                  2.43205000    1.47599900   -0.67399700
 N                  0.32614900    2.05595900   -0.74752700
 C                  2.50240600    2.84642300   -1.20387600
 H                  2.99789300    2.84796000   -2.17999600
 H                  3.07526300    3.48423500   -0.52206600
 C                  1.01824100    3.24486800   -1.28753600
 H                  0.68891100    3.43573100   -2.31384800
 H                  0.78025300    4.12474100   -0.68196600
 Cl                 1.24848300   -0.10455400    2.63208000
 Cl                 0.87198800   -1.80132300   -1.92815300
 H                 -1.36680100   -0.92867300   -0.82935000
 C                  0.19458700   -3.02621400    1.23815600
 H                 -0.27000900   -2.75906200    2.18254800
 H                 -0.44340900   -3.47978600    0.48447100
 C                  1.54643100   -2.95789300    1.06876100
 H                  2.01805000   -3.36410700    0.17783400
 H                  2.19520000   -2.66529300    1.89067100
 C                 -1.09558000    2.08329700   -0.59080100
 C                 -1.91297900    1.69346100   -1.66481700
 C                 -1.63858500    2.56729000    0.61441300
 C                 -3.30042400    1.77740100   -1.49905600
 C                 -3.02740200    2.63003700    0.73277300
 C                 -3.87466000    2.23612600   -0.31097900
 H                 -3.94579400    1.47174800   -2.31881000
 H                 -3.46123100    2.97748400    1.66760700
 C                  3.61093100    0.69546700   -0.43605200
 C                  4.12710600   -0.10717700   -1.47347400
 C                  4.26142400    0.78955800    0.81008800
 C                  5.23536900   -0.91252600   -1.19369600
 C                  5.36783200   -0.03520300    1.03976900
 C                  5.85272300   -0.91019400    0.06216500
 H                  5.62944800   -1.55161400   -1.98116100
 H                  5.86528300    0.01498900    2.00616700
 C                 -0.74058000    2.96119000    1.75818400
 H                 -0.06176900    3.77767800    1.47990400
 H                 -1.32798500    3.29493000    2.61922600
 H                 -0.11682700    2.11862600    2.07557900
 C                 -1.31163500    1.17102200   -2.94456800
 H                 -0.69241400    0.28556400   -2.76070200
 H                 -2.09270000    0.89778500   -3.66090000
 H                 -0.66730800    1.91871300   -3.42452400
 C                 -5.37280700    2.30170500   -0.13754300
 H                 -5.70660300    3.32703200    0.06725600
 H                 -5.89978000    1.95133300   -1.03151700
 H                 -5.69297100    1.68232900    0.70891600
 C                  3.85678200    1.80857400    1.84609400
 H                  4.48009200    2.70888400    1.74488200
 H                  2.81089000    2.10028600    1.75358500
 H                  3.99888100    1.41894700    2.85763300
 C                  3.57673000   -0.04059200   -2.87597200
 H                  2.51602500    0.20789300   -2.89114300
 H                  4.12251800    0.71914500   -3.45443400
 H                  3.69707100   -0.99740600   -3.39173200
 C                  7.01265100   -1.83157600    0.35459700
 H                  6.65701400   -2.79423200    0.74618300
 H                  7.59611300   -2.04436000   -0.54811800
 H                  7.68735500   -1.40504300    1.10515900
 H                 -3.13910100    0.10177900    4.27843800
 C                 -5.15563800   -3.26657500   -0.96839500
 H                 -5.31158300   -3.34800900    0.11149200
 H                 -6.09087200   -3.53555800   -1.47231600
 H                 -4.38473500   -3.98945600   -1.25766100

-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



