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

TS HL14

0 1
 C                 -3.21508100    1.88592800   -1.50025200
 Ru                -2.44421000    0.40145600   -0.72452500
 C                 -3.64152600   -0.56668100    0.63214700
 N                 -3.26244600   -1.71003600    1.24173200
 N                 -4.87036900   -0.23279300    1.06604000
 C                 -4.22936700   -2.15188700    2.26561200
 H                 -3.81414100   -1.97932800    3.26542500
 H                 -4.44604100   -3.21725800    2.15441000
 C                 -5.44244500   -1.25555300    1.96942700
 H                 -5.85703000   -0.78481300    2.86398500
 H                 -6.24399400   -1.79601400    1.45445700
 Cl                -3.32158100   -0.96354000   -2.56411800
 Cl                -1.49496700    1.84168800    1.00951200
 H                 -3.14365100    2.87668900   -1.03999100
 C                 -0.58043900    0.40105300   -1.87682200
 H                 -0.71142700   -0.43285800   -2.56584000
 C                 -1.16320500    1.62714700   -2.27865800
 H                 -0.79326500    2.55251200   -1.84435400
 H                 -1.59890400    1.68864300   -3.27257500
 C                  0.62599900    0.28030400   -0.96749200
 H                  0.84090900    1.24003100   -0.48965800
 H                  0.41084300   -0.42614400   -0.15622300
 C                  3.04919000   -0.47223200   -0.79117500
 H                  2.72740000   -1.11597100    0.03975800
 H                  3.34808700    0.48448200   -0.33947000
 C                  1.85670500   -0.24487300   -1.72818200
 H                  2.13423700    0.45594000   -2.52824400
 H                  1.59644800   -1.19358500   -2.22025700
 C                  4.25841300   -1.10976400   -1.48431400
 H                  4.61107200   -0.45117400   -2.29091600
 H                  3.94746200   -2.04889300   -1.96692400
 C                  5.41473700   -1.39376900   -0.51952800
 H                  5.73531100   -0.46243300   -0.03808500
 H                  5.06861500   -2.06472900    0.27967300
 C                  6.63891300   -2.01502800   -1.22751700
 H                  7.00114000   -1.30570700   -1.97626500
 H                  6.32914300   -2.93180500   -1.74574500
 C                 -5.62705200    0.91870200    0.66480500
 C                 -5.53354900    2.08765300    1.44124600
 C                 -6.46914900    0.84399700   -0.45861100
 C                 -6.25115700    3.21371100    1.02552300
 C                 -7.16328700    1.99868600   -0.83677200
 C                 -7.05538200    3.19490700   -0.11939100
 H                 -6.18013100    4.12702600    1.61231500
 H                 -7.80914800    1.95781100   -1.71130000
 C                 -1.94896600   -2.28129200    1.13021800
 C                 -0.91693800   -1.83477200    1.97499400
 C                 -1.73982000   -3.31966300    0.19753300
 C                  0.36308900   -2.37810000    1.79437500
 C                 -0.44654200   -3.82643100    0.05534300
 C                  0.62210500   -3.35518400    0.83066900
 H                  1.17326600   -2.02362000    2.42766600
 H                 -0.26928000   -4.61644300   -0.67133000
 C                 -1.16155100   -0.85122000    3.09222200
 H                 -0.28201700   -0.22290700    3.25850600
 H                 -1.99849000   -0.18463000    2.88447800
 H                 -1.36712100   -1.38874100    4.02887000
 C                 -2.88822500   -3.89128200   -0.59320800
 H                 -3.68120000   -4.25607300    0.07232300
 H                 -3.32979300   -3.13846000   -1.25193800
 H                 -2.55494300   -4.73221700   -1.20948600
 C                  2.01385900   -3.90267700    0.62180600
 H                  2.70624600   -3.55270600    1.39413200
 H                  2.01645800   -4.99960100    0.63557100
 H                  2.41550600   -3.59359200   -0.35168100
 C                 -4.68658500    2.12815800    2.68772300
 H                 -4.96517200    1.33351600    3.39147000
 H                 -3.62738200    1.99748300    2.44374500
 H                 -4.80143400    3.08599100    3.20499700
 C                 -6.64104500   -0.44283500   -1.22450300
 H                 -7.14625300   -1.20324500   -0.61427100
 H                 -7.25011700   -0.28385800   -2.11992700
 H                 -5.67843200   -0.85337600   -1.54125300
 C                 -7.78097100    4.43898500   -0.57381000
 H                 -8.69044700    4.19397700   -1.13340000
 H                 -8.06273000    5.07314400    0.27426000
 H                 -7.14533400    5.04444400   -1.23418900
 C                 12.03516300    4.54580400    1.43214600
 H                 11.81489100    4.37230800    2.48440100
 H                 12.33485100    5.55475900    1.15855600
 C                 11.94805800    3.56931800    0.52799600
 H                 12.17527100    3.78754300   -0.51698700
 C                 11.53654600    2.15291900    0.82759300
 H                 12.32312500    1.45536000    0.50667500
 H                 11.39542800    2.01198900    1.90570700
 C                 10.24805000    1.78423200    0.09785600
 H                 10.34294800    1.91608000   -0.98609600
 H                  9.40594800    2.39803400    0.43531600
 C                  8.69252300   -1.53251100    0.21647500
 C                  7.73248800   -2.34897100   -0.25227600
 H                  7.72162100   -3.36354300    0.14702800
 O                  9.97540200    0.39691100    0.38585500
 C                  8.85813800   -0.11944100   -0.18007400
 O                  8.12064600    0.53321200   -0.90125200
 H                  9.41885800   -1.90306800    0.93409100
 H                 -3.82951200    1.82126700   -2.40397400

-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




