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

E

0 1
 Ru                 2.00014800   -0.58414000   -0.29541300
 C                  3.66727200    0.22371600    0.35063700
 N                  3.97341700    1.49316400    0.71420600
 N                  4.76285200   -0.54509600    0.59076100
 C                  5.36866800    1.64256000    1.17168400
 H                  5.39542000    2.14366200    2.14302900
 H                  5.93328600    2.25081700    0.45599400
 C                  5.86267600    0.18960300    1.23341000
 H                  5.99660500   -0.16651900    2.26146400
 H                  6.79712500    0.03257800    0.68731300
 Cl                 1.19586000   -1.18069400    1.86379000
 Cl                 2.58618800   -0.98270300   -2.57455000
 C                  4.88410600   -1.94103200    0.28735700
 C                  5.40918100   -2.30871900   -0.96993400
 C                  4.54945200   -2.90624400    1.25278400
 C                  5.49269900   -3.66632800   -1.27769000
 C                  4.64646600   -4.25764900    0.89301100
 C                  5.09390700   -4.65577400   -0.36804100
 H                  5.87711100   -3.96212100   -2.25143000
 H                  4.37213800   -5.01306300    1.62653900
 C                  3.17359400    2.66176100    0.52199700
 C                  2.38818200    3.13025600    1.58732100
 C                  3.19058800    3.30412300   -0.72847600
 C                  1.59794900    4.26440500    1.37182500
 C                  2.38713100    4.43661800   -0.89574500
 C                  1.58056500    4.92699600    0.13881500
 H                  0.97582400    4.63378800    2.18411700
 H                  2.38119300    4.93992100   -1.86023200
 C                  4.17951800   -2.53786400    2.66826600
 H                  3.88445100   -1.49296600    2.76271000
 C                  5.92296800   -1.26743000   -1.93276500
 H                  6.90370100   -0.89171800   -1.60790500
 C                  2.35730700    2.39313800    2.90227300
 H                  1.95981900    1.37994900    2.77003600
 C                  3.98071800    2.73273300   -1.87977400
 H                  3.57594400    1.75819700   -2.18011700
 H                  3.34455800   -3.14560800    3.02871900
 H                  5.03397200   -2.72008400    3.33515900
 H                  6.04652300   -1.68920300   -2.93451400
 H                  5.24520400   -0.41590700   -2.01116800
 H                  3.94353500    3.39699600   -2.74867900
 H                  5.03497400    2.57721400   -1.62268900
 H                  3.35962400    2.29087400    3.33610500
 H                  1.72863600    2.91561000    3.63003500
 C                  5.14645300   -6.11464100   -0.75301900
 H                  5.12907300   -6.76624900    0.12708600
 H                  4.28514200   -6.38323000   -1.37909700
 H                  6.04907200   -6.34531400   -1.33096600
 C                  0.68460400    6.12262100   -0.08261800
 H                  0.51024000    6.67317400    0.84826000
 H                  1.11236400    6.81662800   -0.81449200
 H                 -0.29683600    5.81075900   -0.46499300
 C                -12.01040000   -4.42241200    1.07985000
 H                -12.79131800   -3.80095100    1.51553800
 H                -12.00958900   -5.47202000    1.36437500
 C                -11.10658500   -3.92279700    0.23599100
 H                -10.33928000   -4.58096600   -0.17541100
 C                -11.03985900   -2.48433100   -0.20166300
 H                -11.10145900   -2.42042300   -1.29730000
 H                -11.88488200   -1.91711800    0.20610000
 C                 -9.73268500   -1.83103100    0.23798000
 H                 -8.85937900   -2.37333700   -0.14198900
 H                 -9.65070700   -1.79151700    1.32957900
 C                 -8.72861200    1.57387400   -0.67458900
 C                 -7.81104000    2.55083300   -0.56681800
 H                 -8.02986500    3.48058300   -1.09271500
 C                 -6.49099500    2.49619200    0.15013000
 H                 -6.57859400    1.90128300    1.06313700
 H                 -6.19403900    3.51465300    0.43192500
 C                 -5.38991700    1.87108600   -0.73482200
 H                 -5.33465300    2.40730200   -1.69288300
 H                 -5.68257200    0.83937100   -0.96233800
 C                 -4.01322300    1.88513700   -0.06133500
 H                 -4.07866400    1.37892100    0.91224200
 H                 -3.71963700    2.92468400    0.14866700
 C                 -2.93004400    1.21116600   -0.91196000
 H                 -2.90514200    1.67614500   -1.90884000
 H                 -3.19721000    0.15651800   -1.06971100
 C                 -1.53335200    1.29555200   -0.28581300
 H                 -1.54307500    0.84948000    0.71694200
 H                 -1.24967000    2.35011700   -0.15873500
 C                 -0.46098200    0.58516900   -1.13839300
 H                 -0.48179900    0.98579700   -2.16712800
 H                 -0.69326700   -0.48660700   -1.21897400
 O                 -9.72596300   -0.48898800   -0.29194800
 C                 -8.60506600    0.23608600   -0.06115900
 O                 -7.65140800   -0.20174400    0.56224200
 C                  0.91871500    0.83147000   -0.60965000
 H                  1.16901900    1.88248300   -0.46085500
 H                 -9.63890700    1.74362400   -1.24235600

-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




