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

TS EF

0 1
 Ru                 0.39794000    0.19742900   -0.30792800
 C                  1.23086400   -1.58327900   -0.19561800
 N                  2.50366200   -1.98261600    0.03283300
 N                  0.48363800   -2.68831400   -0.44619400
 C                  2.65536100   -3.45196400   -0.00807900
 H                  2.90998200   -3.82612500    0.98969800
 H                  3.45970800   -3.72899700   -0.69447700
 C                  1.27335800   -3.92791700   -0.48400300
 H                  0.83219500   -4.68280500    0.17298500
 H                  1.29375000   -4.32371900   -1.50568600
 Cl                 0.88059300    0.29212100   -2.68693400
 Cl                -0.60339200    0.34174600    1.88221000
 C                  1.90293700    1.18154600    0.05636600
 H                  2.73505600    1.13269200   -0.65884600
 C                  2.15552400    2.16111700    1.15899200
 H                  3.02295000    1.74998000    1.70166200
 C                 -1.46346600    4.10624300   -1.49330900
 H                 -2.30431900    4.69968200   -1.88540900
 C                 -1.65621000    2.68706100   -1.95015300
 H                 -1.12503800    2.40920600   -2.86006100
 C                 -2.40478700    1.71480000   -1.39160900
 H                 -2.45737900    0.74090400   -1.87145400
 C                  2.52706900    3.58606600    0.68508600
 H                  2.89272200    4.12766500    1.56664600
 H                  3.36706800    3.53890600   -0.02295600
 C                  1.35179200    4.35975000    0.06288000
 H                  0.44479700    4.14401200    0.64414500
 H                  1.53174200    5.43886300    0.16856000
 C                  1.11828000    4.05415500   -1.42267700
 H                  1.06262000    2.97066200   -1.58813100
 H                  1.99565100    4.39524100   -1.99003300
 C                 -0.14338400    4.71578800   -2.00008500
 H                 -0.13442700    5.78828900   -1.76174300
 H                 -0.11897300    4.64080000   -3.09615800
 H                  1.32224000    2.20825800    1.86271900
 H                 -1.55151400    4.16881800   -0.40594300
 C                  3.59145000   -1.19092600    0.51954600
 C                  4.56709500   -0.74328600   -0.38938000
 C                  3.69205600   -0.93573500    1.89867100
 C                  5.64241300   -0.00272900    0.10987800
 C                  4.79105700   -0.19815000    2.35214500
 C                  5.77337400    0.27747100    1.47571500
 H                  6.39464600    0.36560000   -0.58422900
 H                  4.87648000    0.01577700    3.41534700
 C                 -0.93776300   -2.68238600   -0.63518800
 C                 -1.76084100   -2.80334200    0.50393600
 C                 -1.48309900   -2.58939100   -1.92875400
 C                 -3.14213000   -2.70879300    0.33073700
 C                 -2.87458400   -2.47748000   -2.04626400
 C                 -3.71462600   -2.50200600   -0.92991600
 H                 -3.78655300   -2.78189200    1.20355200
 H                 -3.30737700   -2.36968300   -3.03893600
 C                  2.61831300   -1.39010600    2.85386900
 H                  2.40459700   -2.46074100    2.75388900
 H                  2.91349200   -1.20362000    3.89110500
 H                  1.68000800   -0.85532600    2.66645900
 C                  4.42201300   -1.01557600   -1.86478900
 H                  4.43080100   -2.09181300   -2.07952000
 H                  3.47254800   -0.62255500   -2.24760000
 H                  5.23883800   -0.55641600   -2.43021900
 C                  6.96203200    1.05049200    1.99449300
 H                  6.71797900    1.59457400    2.91336300
 H                  7.79773000    0.37625000    2.22691200
 H                  7.32458700    1.77389300    1.25599400
 C                 -1.16678600   -3.06635000    1.86460000
 H                 -0.73957000   -4.07738700    1.91628500
 H                 -0.37585500   -2.35278000    2.10258100
 H                 -1.93002400   -2.98765600    2.64443500
 C                 -0.62959100   -2.68472300   -3.16806200
 H                  0.41172000   -2.42992900   -2.97351400
 H                 -0.67165200   -3.70747800   -3.56908900
 H                 -0.98991800   -2.00923000   -3.94942000
 C                 -5.19692900   -2.26577700   -1.07304900
 H                 -5.58112100   -2.64381600   -2.02710600
 H                 -5.76485500   -2.73666200   -0.26297600
 H                 -5.40210000   -1.18797800   -1.03756900
 C                 -3.17471000    1.84607500   -0.13743400
 O                 -3.75452400    0.66000300    0.16811900
 O                 -3.29610900    2.85058900    0.54348500
 C                 -4.43674200    0.57446300    1.43308400
 H                 -3.86961100    1.12961800    2.18496300
 H                 -4.41809200   -0.48712500    1.68581500
 C                 -5.87526400    1.09051500    1.32414000
 C                 -6.59461500    0.96914700    2.63902000
 C                 -7.63938900    0.17137400    2.86706300
 H                 -6.19736900    1.57576800    3.45454600
 H                 -8.11584900    0.11419600    3.84307400
 H                 -8.06499300   -0.45135500    2.08123800
 H                 -5.83353000    2.14076400    1.00940000
 H                 -6.40203400    0.52698000    0.54438400

-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






