%nprocshared=24
%mem=90GB
#p scf=xqc b3lyp genecp EmpiricalDispersion=GD3 scrf=(smd,solvent=toluene)

F14-md-freq_sp

0 1
 C	-0.722260000	-3.428889000	-0.176117000
 N	-1.702850000	-4.337283000	 0.049732000
 N	 0.392056000	-4.104079000	-0.523395000
 C	-1.261160000	-5.732981000	-0.098416000
 H	-1.898421000	-6.254987000	-0.818502000
 H	-1.327992000	-6.249713000	 0.865340000
 C	 0.184884000	-5.568844000	-0.587604000
 H	 0.327797000	-5.918048000	-1.615340000
 H	 0.912406000	-6.076664000	 0.051787000
 Cl	-0.789735000	-1.570509000	 2.420963000
 Cl	-2.088044000	-1.496206000	-2.236532000
 Ru	-1.156905000	-1.452070000	 0.016598000
 C	-3.052452000	-4.023884000	 0.422618000
 C	-4.033071000	-3.892507000	-0.581459000
 C	-3.390524000	-3.920267000	 1.787714000
 C	-5.317476000	-3.490477000	-0.200380000
 C	-4.687800000	-3.515155000	 2.117011000
 C	-5.654777000	-3.262735000	 1.137671000
 H	-6.073952000	-3.361235000	-0.971738000
 H	-4.950167000	-3.407271000	 3.167554000
 C	 1.695562000	-3.607093000	-0.845287000
 C	 2.663031000	-3.538591000	 0.173118000
 C	 2.017454000	-3.344492000	-2.188448000
 C	 3.973499000	-3.209545000	-0.186212000
 C	 3.335366000	-2.985373000	-2.492651000
 C	 4.326264000	-2.914499000	-1.507769000
 H	 4.735704000	-3.167030000	 0.587750000
 H	 3.592722000	-2.758587000	-3.524984000
 C	-3.768395000	-4.270875000	-2.017381000
 H	-2.707536000	-4.248782000	-2.264306000
 C	-2.441268000	-4.340063000	 2.882055000
 H	-1.400259000	-4.318125000	 2.561576000
 C	 0.967377000	-3.431480000	-3.266339000
 H	 0.106786000	-2.791467000	-3.043217000
 C	 2.286035000	-3.789342000	 1.611445000
 H	 1.886594000	-4.800615000	 1.760492000
 H	-4.151230000	-5.284463000	-2.205880000
 H	-4.278499000	-3.591023000	-2.704916000
 H	-2.528185000	-3.686091000	 3.753567000
 H	-2.686689000	-5.362326000	 3.204586000
 H	 1.377424000	-3.131476000	-4.235873000
 H	 0.580963000	-4.453574000	-3.372319000
 H	 3.152515000	-3.673141000	 2.269854000
 H	 1.507096000	-3.090511000	 1.938907000
 C	 5.722640000	-2.452127000	-1.843099000
 H	 5.825518000	-1.379003000	-1.633350000
 H	 6.476423000	-2.975474000	-1.243764000
 H	 5.959608000	-2.609023000	-2.900950000
 C	-7.028647000	-2.766398000	 1.519264000
 H	-7.031223000	-1.673742000	 1.631293000
 H	-7.774768000	-3.017846000	 0.757679000
 H	-7.358964000	-3.189667000	 2.474660000
 C	 0.458707000	-0.726030000	-0.488608000
 H	 0.784704000	-1.019338000	-1.496974000
 C	 1.401564000	 0.322351000	 0.076202000
 C	 2.865124000	 0.028790000	-0.342384000
 H	 2.901012000	-0.519696000	-1.289119000
 C	 3.727153000	 1.304580000	-0.483567000
 C	 3.629559000	 1.824171000	-1.931330000
 C	 4.033950000	 3.280479000	-2.261064000
 C	 2.901372000	 4.314942000	-2.007963000
 C	 2.451346000	 4.458949000	-0.583282000
 C	 1.192119000	 4.497383000	-0.112350000
 H	 1.012647000	 4.532817000	 0.958719000
 C	-2.193191000	 3.343608000	-0.988595000
 C	-1.994201000	 1.827548000	-1.311337000
 C	-1.826529000	 1.103441000	 0.009011000
 C	-2.754355000	 0.273812000	 0.563537000
 H	-3.641042000	-0.018825000	 0.002220000
 H	-2.745540000	 0.051943000	 1.625928000
 O	-1.019096000	 3.801288000	-0.258898000
 C	-0.016551000	 4.398493000	-0.960561000
 O	-0.126334000	 4.764018000	-2.115952000
 H	-1.030239000	 1.480487000	 0.640644000
 H	-2.258253000	 3.896078000	-1.928898000
 H	 4.172114000	 3.300102000	-3.351528000
 H	-2.918735000	 1.479867000	-1.785206000
 H	 3.244341000	 4.527978000	 0.159777000
 H	 3.366454000	 2.069658000	 0.213261000
 H	 2.595410000	 1.677606000	-2.272818000
 H	 2.046416000	 4.085782000	-2.648032000
 H	 3.273352000	 5.297862000	-2.338242000
 O	 5.105077000	 1.021006000	-0.194963000
 Si	 5.893921000	 0.717951000	 1.260802000
 C	 6.277887000	 2.320361000	 2.248849000
 C	 7.501259000	-0.107408000	 0.732478000
 H	 7.313031000	-1.115550000	 0.345672000
 H	 8.001060000	 0.464257000	-0.058047000
 H	 8.200200000	-0.200026000	 1.573402000
 C	 4.939368000	-0.446998000	 2.403747000
 H	 4.662034000	-1.378504000	 1.901700000
 H	 5.574872000	-0.715466000	 3.257112000
 H	 4.022959000	 0.000140000	 2.804356000
 C	 7.389107000	 3.135891000	 1.555866000
 H	 8.335050000	 2.581148000	 1.525058000
 H	 7.132168000	 3.406188000	 0.526608000
 H	 7.578295000	 4.071157000	 2.104106000
 C	 6.773021000	 1.932972000	 3.660971000
 H	 7.083419000	 2.833130000	 4.212212000
 H	 5.991176000	 1.444224000	 4.253732000
 H	 7.640528000	 1.260574000	 3.629331000
 C	 5.013013000	 3.188732000	 2.401820000
 H	 4.654178000	 3.558219000	 1.436382000
 H	 4.189537000	 2.638429000	 2.875591000
 H	 5.219814000	 4.068149000	 3.030165000
 C	-3.384734000	 3.631052000	-0.118638000
 H	-3.349174000	 3.259597000	 0.901649000
 C	-4.447702000	 4.278349000	-0.588560000
 H	-4.519309000	 4.664077000	-1.600685000
 I	-6.185942000	 4.650530000	 0.550287000
 H	 4.247972000	 1.141973000	-2.529650000
 C	 5.367717000	 3.707277000	-1.639651000
 H	 5.307629000	 3.766121000	-0.551196000
 H	 6.158297000	 2.988155000	-1.876311000
 H	 5.671962000	 4.693167000	-2.013594000
 H	 3.303893000	-0.632347000	 0.402342000
 H	 1.097343000	 1.229400000	-0.471505000
 C	 1.353663000	 0.648670000	 1.573738000
 H	 0.358913000	 0.930046000	 1.919067000
 H	 1.660722000	-0.215994000	 2.164752000
 H	 2.035040000	 1.479522000	 1.791308000
 C	-0.851430000	 1.674444000	-2.329005000
 H	 0.101116000	 2.037167000	-1.938842000
 H	-0.738864000	 0.627589000	-2.607291000
 H	-1.074794000	 2.256422000	-3.229330000

-Si -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             -0.0001820
     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    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    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             -0.0000630
     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             -0.0001480
     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              0.0011030
     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              0.0026560
      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    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    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
****
I     0
S    11   1.00
      5.546500D+03           1.560000D-04
      8.382140D+02           9.860000D-04
      1.821870D+02           2.792000D-03
      3.121230D+01          -4.325100D-02
      1.953140D+01           2.341340D-01
      8.240990D+00          -7.509430D-01
      2.194550D+00           8.829680D-01
      1.109110D+00           4.620610D-01
      3.746410D-01           2.228600D-02
      1.770800D-01          -4.353000D-03
      8.106100D-02           1.102000D-03
S    1   1.00
      3.746410D-01           1.000000D+00
S    1   1.00
      1.770800D-01           1.000000D+00
S    11   1.00
      5.546500D+03          -7.300000D-05
      8.382140D+02          -5.080000D-04
      1.821870D+02          -1.158000D-03
      3.121230D+01           1.219300D-02
      1.953140D+01          -8.785400D-02
      8.240990D+00           3.382000D-01
      2.194550D+00          -5.765500D-01
      1.109110D+00          -4.092980D-01
      3.746410D-01           5.674590D-01
      1.770800D-01           6.124890D-01
      8.106100D-02           1.432310D-01
S    1   1.00
      1.001000D-01           1.000000D+00
P    9   1.00
      1.889880D+02           5.850000D-04
      2.128680D+01           3.692300D-02
      1.003960D+01          -2.353240D-01
      3.451800D+00           3.414830D-01
      1.974560D+00           5.347880D-01
      1.024200D+00           2.651410D-01
      4.494370D-01           2.578700D-02
      1.866480D-01           5.220000D-04
      7.348100D-02           6.060000D-04
P    1   1.00
      5.981000D-01           1.000000D+00
P    9   1.00
      1.889880D+02          -2.560000D-04
      2.128680D+01          -1.168200D-02
      1.003960D+01           8.319200D-02
      3.451800D+00          -1.569700D-01
      1.974560D+00          -2.245180D-01
      1.024200D+00          -1.144510D-01
      4.494370D-01           3.753560D-01
      1.866480D-01           5.751360D-01
      7.348100D-02           2.459170D-01
P    1   1.00
      9.618000D-02           1.000000D+00
D    9   1.00
      1.326620D+02           5.720000D-04
      3.760540D+01           4.402000D-03
      1.038910D+01          -4.092200D-02
      6.490170D+00           9.966100D-02
      3.454510D+00           3.226630D-01
      1.844130D+00           4.003430D-01
      9.624780D-01           2.683060D-01
      4.728530D-01           8.484700D-02
      1.932000D-01           7.632000D-03
D    1   1.00
      4.728530D-01           1.000000D+00
D    1   1.00
      1.932000D-01           1.000000D+00
F    1   1.00
      4.064000D-01           1.000000D+00
****

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
I     0
I-ECP     4     28
g potential
  1
2      1.00000000             0.00000000
s-g potential
  3
2     40.03337600            49.98964900
2     17.30057600           281.00655600
2      8.85172000            61.41673900
p-g potential
  4
2     15.72014100            67.41623900
2     15.20822200           134.80769600
2      8.29418600            14.56654800
2      7.75394900            28.96842200
d-g potential
  4
2     13.81775100            35.53875600
2     13.58780500            53.33975900
2      6.94763000             9.71646600
2      6.96009900            14.97750000
f-g potential
  4
2     18.52295000           -20.17661800
2     18.25103500           -26.08807700
2      7.55790100            -0.22043400
2      7.59740400            -0.22164600



