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

TS HL8

0 1
 Ru                 1.86465400   -0.33265600   -0.68906400
 C                  3.16691300   -1.53453400    0.36526300
 N                  2.73151900   -2.72122900    0.84224200
 N                  4.46783200   -1.39948100    0.67180900
 C                  3.76164700   -3.44878100    1.60730300
 H                  3.86325700   -4.47031400    1.23128600
 H                  3.47744400   -3.49108800    2.66441800
 C                  5.01277500   -2.59150300    1.36373200
 H                  5.74389800   -3.08810300    0.71813300
 H                  5.51367000   -2.29089500    2.28769600
 Cl                 1.09609600    0.73635800    1.36048100
 Cl                 2.58204000   -1.33858800   -2.81299200
 C                  2.51407900    1.28196000   -1.31659500
 C                  5.34307000   -0.29156700    0.40913000
 C                  5.47314600    0.70623100    1.38808000
 C                  6.13342000   -0.28988800   -0.75610700
 C                  6.40124400    1.73038800    1.16777900
 C                  7.02263600    0.77194700   -0.94491600
 C                  7.17142500    1.79057300    0.00469000
 H                  6.51360600    2.50675600    1.92140600
 H                  7.62811000    0.79376800   -1.84887700
 C                  1.36589300   -3.16771600    0.81235000
 C                  0.94072000   -3.98751100   -0.25590600
 C                  0.50634300   -2.85132500    1.88017900
 C                 -0.39892300   -4.38089900   -0.29122600
 C                 -0.82621800   -3.27878300    1.80139900
 C                 -1.30186900   -4.02288500    0.71922600
 H                 -0.74320700   -4.99711900   -1.11913100
 H                 -1.50538300   -3.01768900    2.60981500
 C                  6.05446300   -1.41279200   -1.75872600
 H                  5.02342700   -1.60896200   -2.06445600
 H                  6.63442700   -1.17416200   -2.65578200
 H                  6.46242900   -2.34454600   -1.34397300
 C                  4.61083500    0.70360400    2.62315600
 H                  4.93554000    1.47550700    3.32848600
 H                  3.56469700    0.89509100    2.35874300
 H                  4.64148600   -0.25898600    3.14793900
 C                  8.14615000    2.91987500   -0.23239800
 H                  8.14554800    3.63547500    0.59649500
 H                  9.17082700    2.54465900   -0.35047200
 H                  7.90039900    3.46961000   -1.14972400
 C                  1.91756700   -4.47523200   -1.29477100
 H                  2.69961200   -5.09200500   -0.83204900
 H                  1.41125400   -5.08943800   -2.04589900
 H                  2.40984100   -3.64665400   -1.80935000
 C                  0.99036600   -2.13688600    3.11687200
 H                  0.19833100   -1.51438700    3.54232000
 H                  1.28434800   -2.86851100    3.88304400
 H                  1.84032500   -1.48569900    2.91339300
 C                 -2.74740200   -4.45125400    0.63359800
 H                 -3.32038700   -4.12095200    1.50583300
 H                 -3.22912600   -4.03680000   -0.26058700
 H                 -2.83377200   -5.54328000    0.56674900
 C                  2.51962100    2.62438100   -0.63479400
 O                  3.56312400    2.70643800    0.19708100
 O                  1.74674800    3.52892500   -0.88470000
 C                  3.78655700    3.96747300    0.86800400
 H                  4.30732000    3.69492200    1.78814700
 H                  2.82603900    4.42395500    1.11786900
 C                  4.63752800    4.89288200   -0.00382400
 C                  5.07502700    6.11222800    0.76008200
 C                  4.69396700    7.36128200    0.48889500
 H                  5.74127700    5.92839600    1.60534400
 H                  5.03572800    8.20661800    1.08171500
 H                  4.02687200    7.58643500   -0.34164200
 H                  5.51301200    4.32013400   -0.33849100
 H                  4.06202900    5.17539300   -0.89205800
 H                  3.03311100    1.30989900   -2.28379500
 C                -12.93761700    4.91102800   -0.29985700
 H                -13.76606300    4.30361300   -0.66125700
 H                -12.97447000    5.97213700   -0.53514200
 C                -11.93400100    4.38140800    0.40078400
 H                -11.12191400    5.02628900    0.74109900
 C                -11.80896400    2.92482400    0.75918200
 H                -11.71800200    2.81028800    1.84856700
 H                -12.70270500    2.37229800    0.44615500
 C                -10.57641400    2.30111900    0.11072900
 H                 -9.65815100    2.82953100    0.39165800
 H                -10.64780400    2.31664900   -0.98210700
 C                 -9.47542500   -1.15275700    0.65701000
 C                 -8.62955200   -2.13592800    0.30149300
 H                 -8.76385900   -3.09625200    0.80006800
 C                 -7.48921400   -2.05178800   -0.67369500
 H                 -7.74304600   -1.37445300   -1.49325400
 H                 -7.30367800   -3.04722800   -1.09754000
 C                 -6.19727800   -1.53729300   -0.00110600
 H                 -5.91615800   -2.20653500    0.82471500
 H                 -6.40777800   -0.55580000    0.43951200
 C                 -5.03214500   -1.41667600   -0.98875100
 H                 -5.31911000   -0.73239800   -1.79997200
 H                 -4.84668600   -2.39366600   -1.46076300
 C                 -3.74042900   -0.91830100   -0.33163500
 H                 -3.44119000   -1.61834500    0.46120200
 H                 -3.92930200    0.04436500    0.16448400
 C                 -2.58116800   -0.75707500   -1.32213500
 H                 -2.83228500    0.01398400   -2.06411800
 H                 -2.44279200   -1.69424000   -1.88120800
 C                 -1.26432800   -0.39524300   -0.61126000
 H                 -1.03096600   -1.19426800    0.10072300
 H                 -1.37745800    0.52174400   -0.02648800
 O                -10.49583100    0.93412800    0.56630900
 C                 -9.43862000    0.21953000    0.11148900
 O                 -8.59638800    0.69020200   -0.63627900
 C                 -0.13782400   -0.24196800   -1.60926400
 H                 -0.07240300   -1.03951700   -2.34973800
 C                  0.39637300    1.00597800   -1.99383000
 H                -10.25839000   -1.34452200    1.38506000
 H                  0.07588000    1.90661700   -1.47981600
 H                  0.76636200    1.12611500   -3.00831200

-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




