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

TS LF8

0 1
 Ru                 1.93595500   -0.23358200   -0.64941000
 C                  3.08726100   -1.55894400    0.46138600
 N                  2.70455400   -2.76837400    0.91753500
 N                  4.39463000   -1.39313600    0.73132200
 C                  3.82642300   -3.54532400    1.48979400
 H                  3.99265500   -4.44755700    0.89278800
 H                  3.59093500   -3.84713000    2.51384900
 C                  5.00023100   -2.55625200    1.41101600
 H                  5.83731800   -2.93657200    0.81853400
 H                  5.37780300   -2.26114000    2.39512800
 Cl                 1.10428400    0.81252900    1.38713500
 Cl                 2.92114700   -1.14675300   -2.70189400
 C                  1.64960000    1.57778900   -1.78091000
 C                  5.17781600   -0.22096900    0.46087300
 C                  5.19959200    0.81392200    1.41749900
 C                  5.98523400   -0.17302700   -0.69140700
 C                  5.98498900    1.93935200    1.15141700
 C                  6.73667500    0.98492500   -0.92033900
 C                  6.73836300    2.05595100   -0.02202400
 H                  6.01328900    2.74171000    1.88520300
 H                  7.34802000    1.04056800   -1.81896600
 C                  1.38027500   -3.32013000    0.93611700
 C                  0.93603300   -4.09567900   -0.15147700
 C                  0.58491700   -3.13157100    2.07964400
 C                 -0.35612100   -4.62698900   -0.09711500
 C                 -0.69739200   -3.69662700    2.09211400
 C                 -1.18956100   -4.43520000    1.01169500
 H                 -0.71792900   -5.21244300   -0.93989900
 H                 -1.32870400   -3.54162600    2.96389000
 C                  6.12565000   -1.34815700   -1.62673600
 H                  5.30024400   -2.05330000   -1.53302500
 H                  6.15317400   -1.01787400   -2.66918400
 H                  7.06703200   -1.87802700   -1.42301600
 C                  4.42660600    0.71051900    2.70750300
 H                  4.68773000    1.53378200    3.38026800
 H                  3.34812000    0.74904300    2.52626000
 H                  4.63597800   -0.22928500    3.23270100
 C                  7.52921000    3.30702800   -0.31793200
 H                  8.52577100    3.06965200   -0.70862400
 H                  7.02186800    3.91721700   -1.07660700
 H                  7.65212100    3.92932100    0.57456900
 C                  1.82934000   -4.36061400   -1.33596900
 H                  2.71423700   -4.93999800   -1.04132800
 H                  1.29978900   -4.93510800   -2.10263300
 H                  2.18993900   -3.43357200   -1.79069100
 C                  1.08055100   -2.32514100    3.25303700
 H                  0.32058700   -2.27462000    4.03891000
 H                  1.98536900   -2.76236400    3.69392100
 H                  1.31986500   -1.30214600    2.94649600
 C                 -2.58294700   -5.01760900    1.02798400
 H                 -3.14723100   -4.71780200    0.13653000
 H                 -2.55457900   -6.11518000    1.03475100
 H                 -3.14654600   -4.69275600    1.90833800
 C                  1.50482000    2.83832400   -0.98766400
 O                  2.71955600    3.35443500   -0.71201400
 O                  0.45436800    3.36297500   -0.67931400
 C                  2.73564300    4.55470700    0.09023700
 H                  2.38580200    4.30182300    1.09772300
 H                  2.04637100    5.29033300   -0.33556200
 C                  4.17226300    5.06660500    0.09876400
 C                  4.34249800    6.23131900    1.03484900
 C                  4.74383800    7.45104900    0.67403100
 H                  4.10973400    6.03459000    2.08308600
 H                  4.85327400    8.25584600    1.39728900
 H                  4.98273600    7.69131400   -0.36092700
 H                  4.81943200    4.23745100    0.41040000
 H                  4.46560300    5.34345700   -0.92098400
 H                  2.47696500    1.57448300   -2.48679900
 C                -11.86068600    5.37593500    0.46421200
 H                -12.76405900    4.99519700   -0.00997000
 H                -11.73547100    6.45615700    0.47413900
 C                -10.95841500    4.55948500    1.01001600
 H                -10.06552000    4.98377100    1.47251800
 C                -11.05687900    3.05769600    1.03190000
 H                -11.01101500    2.69208200    2.06750300
 H                -12.01372000    2.72690000    0.61099300
 C                 -9.91189600    2.41773000    0.25204900
 H                 -8.93425100    2.73367500    0.63343200
 H                 -9.95475400    2.67962600   -0.81069100
 C                 -9.30437900   -1.19291200    0.06902600
 C                 -8.54552000   -2.18831600   -0.42273900
 H                 -8.83284000   -3.20157000   -0.14070600
 C                 -7.31416600   -2.06458700   -1.27630300
 H                 -7.42463400   -1.23498800   -1.97980200
 H                 -7.18222500   -2.98830700   -1.85424400
 C                 -6.05180300   -1.81188000   -0.42285700
 H                 -5.93391800   -2.61817500    0.31522900
 H                 -6.20180900   -0.88303000    0.13944000
 C                 -4.77952500   -1.69967600   -1.26982200
 H                 -4.91764200   -0.91385100   -2.02620000
 H                 -4.62070500   -2.63767900   -1.82319600
 C                 -3.53711100   -1.38403700   -0.42981100
 H                 -3.40591500   -2.16076500    0.33768600
 H                 -3.69636000   -0.44134800    0.11295500
 C                 -2.24997300   -1.27894400   -1.25579300
 H                 -2.36471900   -0.49761200   -2.02063600
 H                 -2.07950600   -2.22306300   -1.79322400
 C                 -1.03213000   -0.97097900   -0.37124700
 H                 -0.93883100   -1.75816600    0.38799300
 H                 -1.16576400   -0.04024500    0.18500900
 O                -10.03868100    0.98752300    0.39859200
 C                 -9.06368800    0.24360700   -0.17681000
 O                 -8.13313300    0.73747300   -0.79335500
 C                  0.27182500   -0.97356000   -1.11314500
 H                  0.29054400   -1.65764400   -1.97263500
 C                  0.47348800    0.83471700   -2.10000800
 H                -10.16398000   -1.42152000    0.69241800
 H                 -0.45761800    1.23052400   -1.70415200
 H                  0.43675200    0.35743700   -3.07493300

-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







