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

F

0 1
 C                 -1.81209900    0.95425300    0.58770600
 N                 -3.01789500    0.51234800    1.02428900
 N                 -1.63256100    2.20244500    1.07665600
 C                 -3.69194300    1.44891500    1.93615300
 H                 -3.71400500    1.03106900    2.94936000
 H                 -4.72032700    1.62671500    1.60924700
 C                 -2.80388000    2.69718100    1.83155200
 H                 -2.49232800    3.08272000    2.80550400
 H                 -3.28367500    3.51067800    1.27583200
 Cl                -1.81335700    0.14872800   -2.61072000
 Cl                 0.43598600   -1.07730800    1.52122300
 Ru                -0.67712200   -0.29097100   -0.50933600
 C                 -3.58409500   -0.76472700    0.70118800
 C                 -3.32310300   -1.87924700    1.52445400
 C                 -4.42930300   -0.86416400   -0.42178500
 C                 -3.82714700   -3.12207200    1.12696200
 C                 -4.91471800   -2.12792600   -0.77219600
 C                 -4.60715700   -3.27025600   -0.02538400
 H                 -3.61253100   -3.99396100    1.74204500
 H                 -5.54807300   -2.21974400   -1.65163000
 C                 -0.57085900    3.11542700    0.78330700
 C                 -0.62702000    3.88120600   -0.39515300
 C                  0.47090500    3.26699900    1.71493400
 C                  0.40361800    4.79533800   -0.63520500
 C                  1.48006500    4.19301800    1.42986400
 C                  1.46571500    4.96262700    0.26122800
 H                  0.37891400    5.38710400   -1.54774900
 H                  2.29904400    4.31117400    2.13592400
 C                 -2.60236500   -1.74834900    2.84270100
 H                 -1.95597200   -0.87217800    2.87727200
 C                 -4.86303200    0.35803000   -1.19115400
 H                 -4.06704300    1.09924700   -1.26499300
 C                  0.52022000    2.42050100    2.96112000
 H                  0.54826100    1.35421000    2.70811100
 C                 -1.75381300    3.70392200   -1.38109100
 H                 -2.72998500    3.89940900   -0.91941100
 H                 -3.33474900   -1.67626600    3.65940800
 H                 -1.97541300   -2.62287200    3.03892500
 H                 -5.16524000    0.09353700   -2.20836500
 H                 -5.72734600    0.82768200   -0.69940600
 H                  1.40635800    2.65603600    3.55880800
 H                 -0.36123800    2.57721000    3.59559600
 H                 -1.64438700    4.38990600   -2.22689400
 H                 -1.78484900    2.68142200   -1.77285300
 C                  2.59387100    5.91455500   -0.05525900
 H                  3.32965300    5.43806400   -0.71758100
 H                  2.23169600    6.81246600   -0.56855400
 H                  3.12420600    6.22907200    0.84992900
 C                 -5.13360500   -4.62901600   -0.42221400
 H                 -4.33327500   -5.37860900   -0.42856200
 H                 -5.89616500   -4.97959100    0.28591700
 H                 -5.58760200   -4.61098100   -1.41825900
 C                  2.41847200   -3.23280500   -0.57609500
 H                  2.31210000   -4.27719800   -0.88315800
 C                  2.09866500   -2.26291200   -1.70663400
 H                  2.62865000   -2.57672500   -2.61675900
 H                  2.51196100   -1.28353900   -1.45002100
 C                  0.64207700   -2.09888300   -2.04478400
 H                  0.43750700   -1.56313500   -2.96943600
 C                 -0.41312600   -2.62582100   -1.37662700
 H                 -1.41185700   -2.58078700   -1.80399900
 H                 -0.28935100   -3.23680600   -0.48673100
 H                  1.79653600   -3.04989100    0.30258500
 O                  3.78871300   -2.96105000   -0.21016500
 C                  4.44424000   -3.86575200    0.54949400
 O                  4.01702000   -4.97825200    0.79895800
 C                  5.75566900   -3.35612000    1.02114000
 H                  6.48656500   -4.14113100    1.19658000
 C                  6.05017500   -2.07906500    1.32231200
 H                  7.05992400   -1.88421000    1.68499300
 C                  5.13130200   -0.88750300    1.23842000
 H                  4.10521700   -1.20212000    1.44986000
 H                  5.41212500   -0.16278100    2.01348800
 C                  5.14675400   -0.19327300   -0.14297300
 H                  6.08785400    0.35630200   -0.28391400
 H                  5.10993500   -0.96627700   -0.91726200
 C                  3.94558300    0.74366800   -0.32340100
 H                  3.03844700    0.17947600   -0.07128100
 H                  3.99108800    1.57030300    0.40085500
 C                  3.83663600    1.31162000   -1.74449400
 H                  3.86249000    0.48289100   -2.46825600
 H                  4.72959800    1.91883200   -1.95026500
 C                  2.58619900    2.16655900   -2.00893600
 C                  1.25717300    1.38951400   -2.10654000
 C                  0.68733500    0.89699300   -0.80704500
 H                  1.16215600    1.33150400    0.07842100
 H                  0.48274700    2.04855700   -2.52980400
 H                  1.33811200    0.57086700   -2.83133900
 H                  2.49205400    2.93539700   -1.23228600
 H                  2.72379700    2.70179800   -2.95800100

-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



