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

J8

0 1
 C                 -3.07094700   -3.21426400    2.31348400
 C                 -4.42729200   -2.92940600    2.13607700
 C                 -4.85183500   -2.18161100    1.03907000
 C                 -3.91867200   -1.69674400    0.11204800
 C                 -2.53143100   -1.95367400    0.29141900
 C                 -2.14308200   -2.73021000    1.39608400
 H                 -5.16300900   -3.29587100    2.84749300
 H                 -5.90777300   -1.97909100    0.90259400
 H                 -1.08959000   -2.93313100    1.54119700
 C                 -1.59782100   -1.42604500   -0.72570300
 O                 -4.26492200   -0.96018700   -0.97870200
 C                 -5.59246200   -1.03369600   -1.54225000
 H                 -6.32593000   -0.78197500   -0.76599700
 C                 -5.62168200    0.03845300   -2.62185600
 H                 -4.88916400   -0.19001100   -3.40404900
 H                 -6.61653100    0.09090900   -3.07774400
 H                 -5.37117300    1.01455800   -2.19880000
 Ru                 0.03872000   -0.28894800   -0.39109400
 C                  0.40210300    1.59822600    0.32232300
 N                  1.56682100    2.24650000    0.50895900
 N                 -0.60604500    2.37548900    0.76217200
 C                  1.34761500    3.62840700    1.00312800
 H                  1.51998700    4.33692400    0.18463500
 H                  2.04167400    3.85562600    1.81368500
 C                 -0.11255500    3.58769700    1.44826400
 H                 -0.68701100    4.46265900    1.13727500
 H                 -0.22264500    3.45887200    2.53189000
 Cl                 0.74881300   -1.13662700    1.77016200
 Cl                -0.44106300    0.62771900   -2.61917200
 H                 -2.13962000   -1.00017900   -1.56304600
 C                 -0.42042500   -2.35888900   -1.25811000
 H                 -0.37878100   -3.25854000   -0.64717200
 H                 -0.70399600   -2.55771300   -2.29439200
 C                  1.02401500   -1.76064300   -1.31652300
 H                  1.34393400   -1.46966700   -2.31810200
 C                 -2.01636100    2.09627100    0.76518100
 C                 -2.80393800    2.70101700   -0.23872800
 C                 -2.59827200    1.37668600    1.82164600
 C                 -4.18613600    2.52829600   -0.18349800
 C                 -3.99057000    1.21404200    1.81649300
 C                 -4.79753800    1.77830800    0.83032900
 H                 -4.80298700    2.99274300   -0.94947300
 H                 -4.44629500    0.63255700    2.61450500
 C                  2.91168300    1.87778600    0.15344200
 C                  3.37880700    2.11610300   -1.15277300
 C                  3.78617400    1.48286500    1.18508500
 C                  4.73898400    1.91153700   -1.41410000
 C                  5.13811500    1.30827600    0.87417700
 C                  5.63582800    1.51999900   -0.41688500
 H                  5.10963800    2.09581800   -2.42003200
 H                  5.82214500    1.01471300    1.66757200
 C                 -1.80279600    0.79950500    2.96483100
 H                 -2.21232100    1.14556600    3.92217300
 H                 -1.85393800   -0.29376700    2.95608300
 H                 -0.74609700    1.06213600    2.92050600
 C                 -2.17316100    3.52700400   -1.33056300
 H                 -1.45545500    2.93225200   -1.90322500
 H                 -2.93466600    3.90203100   -2.02156700
 H                 -1.63666800    4.39507600   -0.92589300
 C                 -6.29838400    1.62130700    0.87431500
 H                 -6.76732900    2.45620400    1.41297800
 H                 -6.73129500    1.60391900   -0.13179000
 H                 -6.58881400    0.69943400    1.38946600
 C                  3.29905300    1.29233900    2.59905100
 H                  4.08760300    0.86388800    3.22565100
 H                  2.99933800    2.24483500    3.05661400
 H                  2.43413000    0.62424800    2.62929000
 C                  2.46963300    2.61479800   -2.24583000
 H                  3.05307000    2.97210100   -3.10036000
 H                  1.79446900    1.82896600   -2.59635700
 H                  1.83159400    3.43871800   -1.90631600
 C                  7.10051300    1.31920300   -0.72443800
 H                  7.31263500    0.27494300   -0.98901000
 H                  7.42172200    1.94033600   -1.56771500
 H                  7.72878900    1.56654000    0.13878100
 H                 -2.73750500   -3.80719100    3.16005200
 C                 -5.86880200   -2.42867500   -2.09840500
 H                 -5.13742300   -2.67164900   -2.87769100
 H                 -5.80964400   -3.19559600   -1.32030600
 H                 -6.87147300   -2.46580900   -2.53921000
 C                  2.05413200   -2.61779000   -0.63361000
 O                  3.27564900   -2.06365600   -0.73701400
 O                  1.84810700   -3.70384300   -0.12785300
 C                  4.35198300   -2.81975400   -0.13586700
 H                  4.31878900   -3.85010800   -0.50568400
 H                  4.20372800   -2.84188400    0.94886700
 C                  5.65148100   -2.11971500   -0.50925900
 C                  6.85358800   -2.85057000    0.02283300
 C                  7.71130900   -2.34975900    0.91373300
 H                  7.00878500   -3.86202400   -0.35698400
 H                  8.56733200   -2.91872400    1.26914200
 H                  7.58992900   -1.34793800    1.32239600
 H                  5.70260000   -2.05392000   -1.60558200
 H                  5.61860200   -1.09917400   -0.12208100

-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



