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

TS GH14

0 1
 Ru                 0.50576200    0.00058400    0.18555500
 C                  2.50070600   -0.42365700   -0.06662300
 N                  2.99181600   -1.67453900   -0.14045600
 N                  3.51423200    0.45131500   -0.19838700
 C                  4.45943200   -1.71064700   -0.29148300
 H                  4.73319700   -2.27806800   -1.18594400
 H                  4.91242400   -2.19436100    0.57971400
 C                  4.81945900   -0.21559300   -0.39381900
 H                  5.23213400    0.05066800   -1.37142000
 H                  5.52321700    0.10710500    0.37909400
 Cl                 0.66656400   -0.41500300    2.59518200
 Cl                 0.31123600    0.45525900   -2.20387600
 C                  3.39008900    1.87890900   -0.25944800
 C                  3.34992900    2.60857900    0.94253200
 C                  3.33565200    2.51652900   -1.51124100
 C                  3.17801000    3.99438600    0.86745800
 C                  3.16865200    3.90557800   -1.53384000
 C                  3.06940900    4.65874200   -0.35975000
 H                  3.13605400    4.56858600    1.79069400
 H                  3.10956100    4.40898900   -2.49653600
 C                  2.19911200   -2.86226700    0.00138600
 C                  2.08354000   -3.47176900    1.26457500
 C                  1.57931100   -3.40835800   -1.14024400
 C                  1.24859900   -4.58836500    1.38110400
 C                  0.75753400   -4.52699700   -0.97113200
 C                  0.56131400   -5.11589200    0.28359000
 H                  1.13443900   -5.05552400    2.35688800
 H                  0.26346800   -4.95102500   -1.84271000
 C                  3.48877100    1.75148600   -2.80217800
 H                  4.55002300    1.64779700   -3.06962700
 H                  3.04822100    0.75539500   -2.73730000
 H                  2.99459600    2.27589600   -3.62553900
 C                  3.48969100    1.91795400    2.27504800
 H                  4.37736300    1.27324500    2.30056200
 H                  3.58361300    2.64920800    3.08440400
 H                  2.62688100    1.27884800    2.48964200
 C                  2.83653900    6.14986600   -0.41590200
 H                  3.30459600    6.59775100   -1.29965800
 H                  1.76306300    6.37724200   -0.46782600
 H                  3.23323500    6.65388200    0.47231400
 C                  1.80594900   -2.82041200   -2.51040100
 H                  1.33103300   -1.83941800   -2.61383700
 H                  2.87517700   -2.68292500   -2.71351000
 H                  1.39922700   -3.47857000   -3.28481700
 C                  2.87460800   -2.99142000    2.45515600
 H                  3.05016100   -1.91558100    2.42345400
 H                  2.34725600   -3.21039400    3.38786200
 H                  3.84701400   -3.50289000    2.49685500
 C                 -0.37778500   -6.28670100    0.44645000
 H                 -1.40868300   -5.94020200    0.60083500
 H                 -0.38114500   -6.92734700   -0.44264700
 H                 -0.10865900   -6.90298500    1.31109700
 C                 -1.53190000   -0.73034300    0.35664900
 H                 -1.55614600   -1.22655400    1.32721600
 C                 -1.94270600   -1.66182200   -0.78912100
 H                 -2.47615300   -2.49546900   -0.31126200
 C                 -2.80677800   -1.09246200   -1.92631300
 H                 -2.93435300   -1.90002900   -2.66211900
 H                 -2.24757900   -0.30193300   -2.43485800
 C                 -4.19718000   -0.56167000   -1.54072000
 H                 -4.09590100    0.32228300   -0.90635100
 C                 -5.11703300   -1.58170500   -0.85262000
 H                 -4.78091700   -1.74736200    0.18096300
 H                 -5.01851800   -2.55120500   -1.36361200
 C                 -6.61174300   -1.20819300   -0.83706500
 H                 -7.16981900   -2.05166900   -0.41004700
 H                 -8.06487200    0.02449400    0.17514000
 C                 -6.70539500    1.34326900   -0.75196400
 H                 -7.21109400    1.44262300   -1.71384400
 C                 -5.87981600    2.34003100   -0.39636500
 H                 -5.70007900    3.17097000   -1.07311600
 C                 -6.98345600    0.05721000   -0.02507100
 H                 -6.48470400    0.04232700    0.94672200
 C                 -5.04308900    2.30635400    0.82430300
 O                 -3.81689500    2.82860000    0.56653800
 O                 -5.36103700    1.85381800    1.91012000
 C                 -2.82561000    2.68552700    1.61628700
 H                 -3.25281500    3.02003900    2.56573400
 C                 -2.35129200    1.24112900    1.72677800
 C                 -1.77098000    0.67452500    0.43260000
 C                  0.12361000    1.77847100    0.48769400
 H                 -2.07896400    1.16522800   -0.48669700
 H                  0.12707600    2.20259800    1.49630900
 H                 -0.00391900    2.49310900   -0.33116500
 H                 -1.63295400    1.14512600    2.54663400
 H                 -2.02305300    3.36501800    1.32080200
 H                 -3.21529400    0.62871100    2.00329800
 H                 -1.05072100   -2.11822800   -1.23543200
 H                 -6.96886300   -1.09720100   -1.87164700
 H                 -4.68374200   -0.20666300   -2.46055200

-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





