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

B

0 1
 Ru                 1.69550500   -0.33743800   -0.34526400
 C                  2.78696000   -1.69795100    0.67086700
 N                  2.23846300   -2.87412300    1.06525000
 N                  4.06730300   -1.67633300    1.10295000
 C                  3.19354700   -3.76713000    1.74044700
 H                  3.39594600   -4.64276200    1.11233500
 H                  2.78369700   -4.10989500    2.69487900
 C                  4.42437700   -2.86164800    1.90844500
 H                  5.34339300   -3.31564900    1.52776300
 H                  4.58985200   -2.56789700    2.95076700
 Cl                 2.24341400   -1.33792300   -2.51392900
 Cl                 0.73735300    0.47793300    1.77364100
 C                  2.90599900    1.08662200   -0.25619600
 C                  3.70406700    1.86927200   -1.18347000
 C                  4.11608600    3.18116100   -0.77869600
 C                  4.14419500    1.40083900   -2.43803300
 C                  4.94664000    3.94554700   -1.61059100
 C                  4.97095700    2.16026600   -3.25657300
 C                  5.36894400    3.43239700   -2.83720200
 H                  6.01218000    4.04028900   -3.46879100
 H                  2.94239400    1.51806800    0.74548600
 C                  5.03940100   -0.65138000    0.87532100
 C                  5.19454900    0.38006600    1.81686600
 C                  5.85973400   -0.74043800   -0.26450500
 C                  6.16848600    1.35410700    1.56969400
 C                  6.81649600    0.25525100   -0.46791800
 C                  6.97806600    1.31631900    0.43128000
 H                  6.28875800    2.16618700    2.28154700
 H                  7.44023800    0.21217400   -1.35794800
 C                  0.90294100   -3.29867800    0.75928000
 C                  0.64800200   -3.96861700   -0.45602000
 C                 -0.11959800   -3.08693800    1.70392600
 C                 -0.67465500   -4.30522000   -0.75933000
 C                 -1.42658600   -3.44845000    1.35496400
 C                 -1.72761500   -4.03634100    0.12276500
 H                 -0.88372600   -4.80419200   -1.70366700
 H                 -2.22645800   -3.26645500    2.06931600
 C                  5.68247700   -1.86269900   -1.25408000
 H                  4.68649800   -1.82904300   -1.70868300
 C                  4.32283400    0.45011600    3.04497200
 H                  4.54081900   -0.37141800    3.74030400
 C                  1.76146300   -4.41629200   -1.37002300
 H                  2.66465500   -3.81902600   -1.25040500
 C                  0.16886100   -2.56410000    3.08847300
 H                  1.06664900   -1.94757400    3.11520000
 H                  3.82626600    0.41268600   -2.74286900
 H                  5.26520100    4.93703600   -1.31335600
 O                  3.62272000    3.62161700    0.40239600
 C                  3.90376500    4.94678100    0.90433900
 H                  3.85991000    5.65649500    0.06834400
 C                  2.77359300    5.25068700    1.87803200
 H                  2.90505900    6.24803400    2.31213800
 H                  1.80570600    5.21426500    1.36811200
 H                  2.76205500    4.51382200    2.68863800
 C                  5.27817300    4.98810500    1.56726600
 H                  5.50590000    6.00817600    1.89721500
 H                  5.29114800    4.33075000    2.44291700
 H                  6.06778800    4.66315900    0.88375700
 H                  5.30337000    1.76575900   -4.21223200
 H                  6.42648300   -1.79915200   -2.05445800
 H                  5.78694100   -2.84551900   -0.77653700
 H                  4.48478300    1.38890100    3.58415200
 H                  3.25997000    0.38600400    2.78828600
 H                 -0.66018000   -1.95371200    3.45777400
 H                  0.29819500   -3.40467900    3.78580300
 H                  2.00789500   -5.46757100   -1.16220800
 H                  1.46261800   -4.34592600   -2.41914600
 C                  7.98181100    2.40765400    0.14873000
 H                  7.61252400    3.06999100   -0.64493600
 H                  8.17505100    3.02109300    1.03505400
 H                  8.93859700    1.99556700   -0.19374400
 C                 -3.14756600   -4.38596600   -0.25410600
 H                 -3.22247300   -5.42178900   -0.60743800
 H                 -3.83171600   -4.26702100    0.59234000
 H                 -3.50860600   -3.74294900   -1.06667200
 C                -13.32563900    4.91021700    0.09620500
 H                -14.12828100    4.33243300   -0.35964700
 H                -13.38782900    5.99128300   -0.00439400
 C                -12.32254000    4.32205300    0.74927100
 H                -11.53683200    4.93934800    1.18837400
 C                -12.16299900    2.83550700    0.92359500
 H                -12.09209100    2.58565200    1.99161800
 H                -13.03344000    2.30422900    0.52089200
 C                -10.89962400    2.33182600    0.23156200
 H                -10.00252200    2.84089600    0.60241500
 H                -10.94703800    2.48872300   -0.85138300
 C                 -9.72423100   -1.13882500    0.33823100
 C                 -8.85394700   -2.04889000   -0.13399500
 H                 -8.97313200   -3.06974200    0.23012900
 C                 -7.70446900   -1.81304500   -1.07259200
 H                 -7.95752300   -1.02823300   -1.79000000
 H                 -7.50074000   -2.73557200   -1.63156900
 C                 -6.42749600   -1.38691100   -0.31509000
 H                 -6.14419500   -2.16935300    0.40341500
 H                 -6.65787200   -0.48700700    0.26730700
 C                 -5.25440500   -1.09893500   -1.25802800
 H                 -5.53818000   -0.28823200   -1.94433000
 H                 -5.06045300   -1.98120700   -1.88668800
 C                 -3.97160100   -0.71545800   -0.51275100
 H                 -3.66324900   -1.54795900    0.13514500
 H                 -4.17713300    0.13249600    0.15633300
 C                 -2.81018800   -0.34816700   -1.44412600
 H                 -3.06872000    0.55234000   -2.01867200
 H                 -2.65362400   -1.15260900   -2.17775200
 C                 -1.50473000   -0.11816700   -0.66181700
 H                 -1.24767200   -1.06117300   -0.15944700
 H                 -1.65097300    0.61973100    0.13262400
 O                -10.79236100    0.91935500    0.50675000
 C                 -9.71071500    0.29456600   -0.01826600
 O                 -8.86781000    0.87919400   -0.67986000
 C                 -0.37563700    0.31277900   -1.56330000
 H                 -0.22912100   -0.29308100   -2.45639400
 C                  0.33767100    1.46842300   -1.45317600
 H                  0.15405500    2.17452700   -0.64705600
 H                  1.00921900    1.78511300   -2.24587300
 H                -10.51118900   -1.44175800    1.02287400

-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




