%nprocshared=24
%mem=90GB
#p b3lyp/genecp EmpiricalDispersion=GD3 scrf=(smd,solvent=toluene) 

TS(precat-A)

0 1
 C                  3.79023400   -1.14129900    2.96127100
 C                  4.26045100   -2.38401800    2.53571900
 C                  3.81645200   -2.94294600    1.33531700
 C                  2.88392600   -2.25604700    0.54494500
 C                  2.39889300   -0.99948500    0.96889800
 C                  2.86128000   -0.45894200    2.17671800
 H                  4.98285700   -2.93022600    3.13676000
 H                  4.20247300   -3.90531900    1.02153500
 H                  2.46966800    0.50115000    2.49838700
 C                  1.44098800   -0.21221600    0.15627400
 H                  1.88409300    0.53878800   -0.49981100
 O                  2.37311300   -2.70160700   -0.63537200
 C                  2.84516000   -3.92605700   -1.23467800
 H                  2.93503200   -4.69309100   -0.45368400
 C                  1.76257300   -4.34660100   -2.21836900
 H                  1.61541200   -3.57217500   -2.97758200
 H                  2.04908500   -5.28110600   -2.71430200
 H                  0.80989600   -4.49678900   -1.70220300
 Ru                -0.34587800   -0.52996200    0.22324600
 C                 -1.07764600    1.24658900   -0.21146100
 N                 -2.42004700    1.44316200   -0.28329300
 N                 -0.47707400    2.43314400   -0.46674300
 C                 -2.79703400    2.82801500   -0.60262500
 H                 -3.42458900    3.23910900    0.19474700
 H                 -3.36412000    2.85435300   -1.53900300
 C                 -1.43427400    3.52989500   -0.71080200
 H                 -1.29957800    4.31416100    0.04112800
 H                 -1.25881700    3.96847800   -1.69785400
 Cl                -0.65531600   -1.41712700   -1.95865900
 Cl                -0.65810100   -0.45068600    2.58533200
 C                  0.92220600    2.71969500   -0.49789400
 C                  1.57635100    3.07192400    0.69419300
 C                  1.60482100    2.63077900   -1.72271800
 C                  2.94944600    3.33106800    0.63702100
 C                  2.97666200    2.90321900   -1.73138900
 C                  3.66509800    3.25434500   -0.56370200
 H                  3.47457300    3.58940600    1.55404000
 H                  3.52308600    2.82303600   -2.66855900
 C                 -3.42948500    0.44663000   -0.07517100
 C                 -3.94794500    0.25319500    1.22066100
 C                 -3.94108700   -0.26064800   -1.18113700
 C                 -4.90167200   -0.75256600    1.40609000
 C                 -4.89580400   -1.25386900   -0.94337300
 C                 -5.36928300   -1.53212200    0.34331500
 H                 -5.29293800   -0.92359400    2.40685400
 H                 -5.28182700   -1.82045900   -1.78827600
 C                  0.89529600    2.15366400   -2.96545400
 H                  0.01451100    2.76354800   -3.19969500
 H                  1.56255200    2.18214300   -3.83236500
 H                  0.54574500    1.12110800   -2.83836300
 C                  0.82858700    3.10349700    2.00338400
 H                  1.47893800    3.43706500    2.81807800
 H                 -0.03280900    3.78197200    1.96517100
 H                  0.44168500    2.10999300    2.25845100
 C                  5.14222100    3.56450400   -0.60201700
 H                  5.31456200    4.63593000   -0.77365800
 H                  5.63165100    3.30331300    0.34257900
 H                  5.64624000    3.02040600   -1.40811600
 C                 -3.55706500    0.08371300   -2.59888200
 H                 -2.58476500    0.57253400   -2.65758300
 H                 -3.51191400   -0.81373900   -3.22217100
 H                 -4.31035800    0.75408400   -3.03731500
 C                 -3.57648800    1.15199700    2.37433000
 H                 -2.61325600    1.64032000    2.22745600
 H                 -4.34320900    1.92982600    2.50157400
 H                 -3.51888600    0.58815100    3.30925000
 C                 -6.35704400   -2.64908100    0.57994200
 H                 -7.00631900   -2.43822500    1.43703000
 H                 -6.99197100   -2.81898900   -0.29669100
 H                 -5.83460300   -3.59173700    0.79161700
 H                  4.13661800   -0.70908300    3.89558400
 C                  4.19601200   -3.69354300   -1.90865400
 H                  4.94555600   -3.33193500   -1.19763300
 H                  4.56576100   -4.62503400   -2.35251500
 H                  4.09063900   -2.94724400   -2.70441600

-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




