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

TS DE

0 1
 Ru                -1.71432200   -0.41023600    0.34787900
 C                 -2.78431100   -1.93114900   -0.32872200
 N                 -2.50584000   -3.25513400   -0.44159600
 N                 -4.08358000   -1.75341200   -0.68066600
 C                 -3.63692000   -4.02423400   -0.99798000
 H                 -3.80687000   -4.93231500   -0.41511600
 H                 -3.41633700   -4.31129600   -2.03332200
 C                 -4.79345600   -3.02404400   -0.90144600
 H                 -5.45528800   -3.22906200   -0.05090500
 H                 -5.39719400   -2.97542100   -1.81100000
 Cl                -2.25068500   -1.02212800    2.62806200
 Cl                -1.27690000    0.69602400   -1.75425500
 C                 -4.77472200   -0.50175900   -0.79664300
 C                 -4.82217700    0.10517200   -2.06957500
 C                 -5.45977000    0.04528400    0.30260000
 C                 -5.52673300    1.30229300   -2.20627400
 C                 -6.14598600    1.25266800    0.11527100
 C                 -6.19575200    1.89093900   -1.12497200
 H                 -5.56270300    1.78268800   -3.18149200
 H                 -6.66099100    1.69417700    0.96490300
 C                 -1.21661500   -3.86910900   -0.35696300
 C                 -0.88350500   -4.59539400    0.80013300
 C                 -0.32326800   -3.74980200   -1.43693200
 C                  0.39356000   -5.16037800    0.87815500
 C                  0.94290500   -4.33111800   -1.31132800
 C                  1.32517800   -5.02525000   -0.15800300
 H                  0.67194000   -5.70680300    1.77656100
 H                  1.65078900   -4.22981600   -2.13129000
 C                 -5.54119800   -0.64924400    1.63870300
 H                 -4.82253900   -1.46263900    1.73118400
 C                 -4.16494700   -0.54540400   -3.26035600
 H                 -4.65019300   -1.49892300   -3.50937200
 C                 -1.85504500   -4.70859100    1.94677300
 H                 -2.13235500   -3.71556100    2.31856600
 C                 -0.69618900   -2.97216700   -2.67401100
 H                 -0.81765100   -1.90599500   -2.45092800
 H                 -5.33956700    0.05446800    2.45240800
 H                 -6.55185200   -1.05247800    1.79163100
 H                 -4.23019600    0.09999400   -4.14175600
 H                 -3.10871600   -0.74612700   -3.06817400
 H                  0.07523800   -3.07184800   -3.44402400
 H                 -1.64317000   -3.31988900   -3.10348800
 H                 -2.78187800   -5.21375600    1.64682000
 H                 -1.41897200   -5.27732500    2.77399000
 C                 -7.00326700    3.15435200   -1.30629300
 H                 -6.94709900    3.79469600   -0.41957200
 H                 -6.66326200    3.73343500   -2.17166000
 H                 -8.06415700    2.91975400   -1.46940400
 C                  2.72366500   -5.57755900   -0.02008900
 H                  2.75623400   -6.42994300    0.66711100
 H                  3.12697100   -5.90118700   -0.98610200
 H                  3.40592800   -4.81277900    0.37640000
 C                 12.28894300    5.45868000    0.00968500
 H                 13.16331200    4.99833500    0.46735100
 H                 12.19889700    6.53770900    0.11090800
 C                 11.37992800    4.73651300   -0.64664800
 H                 10.51701700    5.23809500   -1.08823400
 C                 11.43225100    3.24299500   -0.82530000
 H                 11.41112300    2.99022400   -1.89485600
 H                 12.36331700    2.83710100   -0.41242200
 C                 10.24255800    2.56257000   -0.15410800
 H                  9.28815700    2.94623200   -0.53234600
 H                 10.25467900    2.71182400    0.93101000
 C                  9.54179500   -1.02888200   -0.36691400
 C                  8.74655800   -2.05099300   -0.00508600
 H                  9.02134600   -3.03562400   -0.38435000
 C                  7.49074500   -1.99071700    0.81868100
 H                  7.58924800   -1.23959700    1.60696700
 H                  7.32697900   -2.96638900    1.29418300
 C                  6.26071500   -1.63177000   -0.04425400
 H                  6.18368700   -2.32945700   -0.89033500
 H                  6.42236000   -0.63332700   -0.46708800
 C                  4.95405800   -1.65340600    0.75578300
 H                  5.04924900   -0.99001100    1.62726600
 H                  4.78812800   -2.66546400    1.15599200
 C                  3.73721400   -1.22943800   -0.07483700
 H                  3.68092500   -1.84850500   -0.98315200
 H                  3.87281800   -0.19347300   -0.41720900
 C                  2.41424600   -1.35398000    0.68808500
 H                  2.45941700   -0.76692100    1.61632100
 H                  2.26935900   -2.40102000    0.98786600
 C                  1.20353800   -0.90314500   -0.14538700
 H                  1.22468500   -1.42076100   -1.11856000
 H                  1.25051400    0.16318500   -0.38680200
 O                 10.33643000    1.15240100   -0.44517500
 C                  9.32509800    0.38000900    0.01950000
 O                  8.38561000    0.83240700    0.65397000
 C                 -0.10983100   -1.27231800    0.47650700
 H                 -0.04508000   -2.14316800    1.13962800
 C                 -1.18664000    2.64188700    1.30874400
 C                 -0.34057500    1.75606200    1.88309100
 H                 -0.54066400    1.26209800    2.82780600
 H                  0.63130100    1.57111400    1.43570600
 H                 -0.89015000    3.08305900    0.36292500
 C                 -2.51867900    3.03431600    1.78389200
 C                 -3.08210600    2.53325100    2.97063600
 C                 -3.29263800    3.93128700    1.00204900
 C                 -4.35915200    2.90051600    3.38482400
 H                 -2.51598400    1.82084900    3.56057400
 C                 -4.57257800    4.31331000    1.42859600
 C                 -5.10106500    3.79737000    2.61100700
 H                 -5.15145300    5.01802200    0.84335800
 H                 -6.09471700    4.10404800    2.92821300
 O                 -2.71892300    4.39721700   -0.13951500
 C                 -3.54096800    4.76582500   -1.27361600
 H                 -4.52220700    4.29562200   -1.15395500
 H                 -4.77048300    2.49297300    4.30374300
 C                 -3.68018200    6.28397400   -1.32930300
 H                 -4.29036400    6.57985000   -2.19088200
 H                 -4.14943300    6.67994400   -0.42258400
 H                 -2.69253800    6.74822000   -1.43054200
 C                 -2.85804000    4.18358400   -2.50393100
 H                 -3.44545400    4.40487000   -3.40324300
 H                 -1.85913400    4.61745400   -2.62885900
 H                 -2.75074600    3.09963600   -2.40405300
 H                 10.41605300   -1.21302900   -0.98458700

-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




