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

A

0 1
 C                  2.19359600   -4.21248200    1.56852400
 C                  3.45585700   -4.31385900    0.98090600
 C                  3.94451600   -3.30295600    0.15030600
 C                  3.16369700   -2.16955500   -0.10503700
 C                  1.87656100   -2.03543100    0.50113800
 C                  1.41496500   -3.08510100    1.32458600
 H                  4.07551900   -5.18734900    1.16690300
 H                  4.92613100   -3.41157400   -0.29483000
 H                  0.44939800   -2.97937800    1.80675300
 C                  1.10907600   -0.82372800    0.24544100
 H                  1.70975300    0.04920500   -0.00035100
 O                  3.51613600   -1.16458100   -0.94271000
 C                  4.80940400   -1.13264300   -1.58504600
 H                  5.04867300   -2.13930000   -1.95059900
 C                  4.64034100   -0.20072000   -2.77655100
 H                  4.35343600    0.79876400   -2.43502400
 H                  5.57965300   -0.12611300   -3.33553600
 H                  3.85975100   -0.57313000   -3.44750500
 Ru                -0.71779400   -0.81629100    0.05975700
 C                 -1.13365900    1.09870100    0.06409400
 N                 -2.42429600    1.51794600   -0.05072600
 N                 -0.35746800    2.20447900    0.16881600
 C                 -2.56682800    2.97931300   -0.09926200
 H                 -3.29081500    3.31475600    0.64928000
 H                 -2.92215500    3.28745900   -1.08945100
 C                 -1.13848700    3.45832700    0.19233400
 H                 -1.04405200    3.93393000    1.17481300
 H                 -0.75770200    4.15267200   -0.56190800
 Cl                -0.72694500   -1.12041400   -2.30543700
 Cl                -1.41941100   -1.21281800    2.30080100
 C                  1.05643100    2.30376500    0.35879200
 C                  1.58378500    2.26524100    1.66213400
 C                  1.87266800    2.50394100   -0.76548700
 C                  2.96027300    2.44777700    1.81792400
 C                  3.24280900    2.70223100   -0.55743100
 C                  3.80276300    2.68250700    0.72368700
 H                  3.38522400    2.41298200    2.81892400
 H                  3.88545700    2.87327600   -1.41781200
 C                 -3.56943600    0.66966600   -0.20648400
 C                 -4.30485400    0.29467800    0.93602400
 C                 -3.98217200    0.28800500   -1.49854200
 C                 -5.38716600   -0.57354400    0.76826300
 C                 -5.07036900   -0.58354100   -1.61295900
 C                 -5.76810300   -1.04539100   -0.49263900
 H                 -5.94735200   -0.88668900    1.64692700
 H                 -5.38238800   -0.90185800   -2.60558200
 C                  1.29341000    2.43552600   -2.15631700
 H                  0.47617600    3.15273800   -2.30042600
 H                  2.05803800    2.64215700   -2.91145400
 H                  0.88119200    1.43753800   -2.35156500
 C                  0.69363500    1.98982200    2.84737500
 H                  1.25840100    2.04849100    3.78299100
 H                 -0.13595400    2.70478900    2.91132100
 H                  0.24795400    0.99105500    2.77847100
 C                  5.27842200    2.92468300    0.93605200
 H                  5.45211700    3.89930200    1.41146800
 H                  5.71810700    2.16534000    1.59349000
 H                  5.83083300    2.91631900   -0.00927700
 C                 -3.35240700    0.86155000   -2.74401000
 H                 -2.34429700    1.23592600   -2.56677300
 H                 -3.28683700    0.10894900   -3.53428300
 H                 -3.96851400    1.68957000   -3.12307600
 C                 -4.00887900    0.86665300    2.30040000
 H                 -2.97625000    1.20300300    2.39319100
 H                 -4.67063900    1.72219100    2.49856700
 H                 -4.18605800    0.12472400    3.08404500
 C                 -6.90070700   -2.03302200   -0.63769700
 H                 -7.65751400   -1.89653500    0.14293700
 H                 -7.39367000   -1.94208000   -1.61190000
 H                 -6.53032500   -3.06370100   -0.55460700
 H                  1.82400100   -4.99848300    2.22020500
 C                  5.87052500   -0.65115300   -0.59956600
 H                  5.93441700   -1.30588500    0.27523000
 H                  6.85445100   -0.62431800   -1.08143700
 H                  5.62206600    0.35711500   -0.25329200

-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




