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

TS I-J8

0 1
 C                  3.27562200   -3.02874400   -2.35435300
 C                  4.56606800   -2.58225600   -2.05872700
 C                  4.83976600   -1.96798300   -0.83807700
 C                  3.81567400   -1.78018100    0.10028200
 C                  2.49458900   -2.21775900   -0.18959200
 C                  2.25934500   -2.84878000   -1.42229200
 H                  5.37067200   -2.71631000   -2.77743700
 H                  5.84556000   -1.63059400   -0.62288500
 H                  1.25670100   -3.18453600   -1.65485100
 C                  1.46810800   -2.04037600    0.85341600
 O                  3.99436200   -1.18614100    1.31006500
 C                  5.30992900   -0.95240100    1.85214700
 H                  5.90779800   -0.41353900    1.10582200
 C                  5.08541700   -0.05220500    3.05867100
 H                  4.47540300   -0.56723800    3.80881900
 H                  6.04476700    0.21890800    3.51336700
 H                  4.56053700    0.85977800    2.76513400
 Ru                 0.01761100   -0.36990900    0.35993900
 C                 -0.26003900    1.62559200   -0.08226600
 N                 -1.38286100    2.37016900   -0.07590700
 N                  0.78186500    2.43576600   -0.38002800
 C                 -1.09729900    3.81298500   -0.25385300
 H                 -1.21537600    4.32645200    0.70705100
 H                 -1.79207600    4.25107600   -0.97332900
 C                  0.35221000    3.80252800   -0.73763300
 H                  0.98072300    4.54494000   -0.24041100
 H                  0.43753700    3.94003500   -1.82270600
 Cl                -0.42049500   -1.00745400   -1.94690700
 Cl                 0.41002700    0.24171300    2.71766800
 H                  1.86986400   -1.71573200    1.80575100
 C                  0.20617300   -2.67383000    0.90186500
 H                 -0.14628100   -3.28114000    0.07737500
 H                 -0.16347500   -2.95269800    1.88521900
 C                  2.13153000    2.03633500   -0.66967300
 C                  3.11854400    2.24238200    0.31565000
 C                  2.46762100    1.59285400   -1.96368200
 C                  4.44335000    1.93419900   -0.00321000
 C                  3.80567100    1.27601100   -2.22290300
 C                  4.80499700    1.44190000   -1.26216700
 H                  5.21341500    2.09037600    0.74828200
 H                  4.07060500    0.90497400   -3.21063500
 C                 -2.75474200    1.97110200    0.06689800
 C                 -3.35735900    1.95789200    1.33416400
 C                 -3.50203100    1.75778400   -1.10746700
 C                 -4.72637900    1.66776100    1.40887900
 C                 -4.87065300    1.51441600   -0.98340000
 C                 -5.49906800    1.45016200    0.26608100
 H                 -5.20084500    1.63726400    2.38741700
 H                 -5.46067100    1.35805900   -1.88440100
 C                  1.46808000    1.52426000   -3.09182400
 H                  1.65040600    2.34310700   -3.80178600
 H                  1.56495600    0.58177600   -3.63784600
 H                  0.43631000    1.58527400   -2.74860200
 C                  2.76240300    2.79541100    1.67162800
 H                  2.18366800    2.06894300    2.25124200
 H                  3.66439000    3.05390100    2.23518400
 H                  2.14815600    3.70026400    1.59285500
 C                  6.24809700    1.14870500   -1.59590200
 H                  6.72841600    2.02063900   -2.06074500
 H                  6.82872100    0.89919400   -0.70082800
 H                  6.33287700    0.31566800   -2.30137000
 C                 -2.84226900    1.77863400   -2.46288800
 H                 -3.58047100    1.63145600   -3.25775800
 H                 -2.32967200    2.72916900   -2.65845600
 H                 -2.09446900    0.98129800   -2.53833300
 C                 -2.57513100    2.28914600    2.57877900
 H                 -3.17329700    2.10251500    3.47659000
 H                 -1.65527700    1.70336300    2.65175800
 H                 -2.28674600    3.34918000    2.59219500
 C                 -6.97972000    1.16680500    0.35995300
 H                 -7.25878900    0.29199900   -0.23932800
 H                 -7.28980700    0.98036600    1.39368400
 H                 -7.57038000    2.01338500   -0.01501900
 H                  3.06323700   -3.51568000   -3.30151900
 C                  5.98399800   -2.26991600    2.23070100
 H                  5.38601800   -2.78984400    2.98765900
 H                  6.09760800   -2.93464900    1.36948000
 H                  6.97911200   -2.07689800    2.64744500
 C                 -1.49642700   -1.28687400    0.91154400
 H                 -1.77115500   -1.24198400    1.97462300
 C                 -2.52649800   -2.05799200    0.12613600
 O                 -3.54070500   -1.25014400   -0.20556200
 O                 -2.50393700   -3.25811000   -0.06841100
 C                 -4.70705700   -1.87531300   -0.79122100
 H                 -4.38950500   -2.66717700   -1.47473800
 H                 -5.18782600   -1.07755800   -1.35679700
 C                 -5.62629700   -2.41325600    0.30733000
 C                 -6.88652500   -2.99898800   -0.26683100
 C                 -8.12200400   -2.58696700    0.02448200
 H                 -6.75015700   -3.81622000   -0.97724700
 H                 -8.99970800   -3.04944100   -0.42110700
 H                 -8.30380200   -1.78091100    0.73309300
 H                 -5.07307900   -3.18252700    0.86268500
 H                 -5.85844900   -1.59972100    1.00409300

-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


