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

md-C-noloose_sp

0 1
 C	-2.558379000	 1.886066000	 0.346078000
 Ru	-1.341407000	 0.260521000	 0.348162000
 C	-1.357834000	-1.757125000	 0.061334000
 N	-2.422801000	-2.510143000	-0.265885000
 N	-0.301789000	-2.563937000	 0.285724000
 C	-2.145977000	-3.955446000	-0.108402000
 H	-2.510238000	-4.512226000	-0.974061000
 H	-2.659680000	-4.325420000	 0.786799000
 C	-0.619275000	-3.984714000	 0.033326000
 H	-0.114590000	-4.319755000	-0.880235000
 H	-0.279614000	-4.601453000	 0.868563000
 Cl	-1.238527000	 0.607163000	-2.083870000
 Cl	-1.411396000	-0.173396000	 2.749647000
 C	 0.118167000	 1.527819000	 0.722356000
 C	-1.176211000	 2.478365000	 0.813596000
 H	-1.257912000	 2.816985000	 1.845625000
 H	-0.970282000	 3.296150000	 0.118871000
 H	 0.520535000	 1.366951000	 1.726143000
 H	-2.765443000	 2.148888000	-0.686296000
 C	-3.776391000	 1.985030000	 1.176674000
 C	-3.788692000	 2.094467000	 2.576567000
 C	-5.028757000	 1.960834000	 0.501491000
 C	-4.978465000	 2.151032000	 3.297730000
 H	-2.845450000	 2.106040000	 3.107274000
 C	-6.226029000	 1.999847000	 1.228672000
 C	-6.197967000	 2.091024000	 2.620068000
 H	-7.177888000	 1.963151000	 0.711887000
 H	-7.134625000	 2.120508000	 3.170951000
 O	-4.974130000	 1.871793000	-0.854696000
 C	-6.097450000	 2.239483000	-1.681318000
 H	-6.970008000	 1.644503000	-1.381946000
 C	-3.739729000	-2.073127000	-0.637993000
 C	-4.069482000	-2.081097000	-2.010531000
 C	-4.693234000	-1.760676000	 0.344022000
 C	-5.374734000	-1.755820000	-2.376917000
 C	-5.985726000	-1.417263000	-0.079535000
 C	-6.346431000	-1.414231000	-1.425669000
 H	-5.640901000	-1.760440000	-3.431846000
 H	-6.724177000	-1.153447000	 0.673854000
 C	 1.033515000	-2.154481000	 0.621495000
 C	 1.469316000	-2.258424000	 1.956683000
 C	 1.901710000	-1.725666000	-0.400076000
 C	 2.758498000	-1.813931000	 2.265290000
 C	 3.184527000	-1.294789000	-0.038856000
 C	 3.625778000	-1.310810000	 1.288880000
 H	 3.095595000	-1.866882000	 3.298609000
 H	 3.853173000	-0.934975000	-0.817808000
 C	-4.377747000	-1.768750000	 1.817608000
 H	-4.096627000	-0.769013000	 2.163005000
 C	-3.038484000	-2.419611000	-3.057103000
 H	-2.635955000	-3.432639000	-2.930368000
 C	 1.478728000	-1.727785000	-1.846969000
 H	 1.045018000	-2.692502000	-2.137448000
 C	 0.617099000	-2.890997000	 3.028104000
 H	 0.843282000	-3.964305000	 3.107624000
 H	-4.952579000	 2.231898000	 4.380517000
 H	 0.721427000	-0.963825000	-2.048855000
 H	 2.336992000	-1.537292000	-2.499327000
 H	 0.819762000	-2.441105000	 4.004603000
 H	-0.447651000	-2.773544000	 2.826975000
 H	-5.252229000	-2.088750000	 2.394898000
 H	-3.540196000	-2.425539000	 2.062794000
 H	-3.470789000	-2.359594000	-4.060854000
 H	-2.198531000	-1.719677000	-3.004195000
 C	-6.402352000	 3.731395000	-1.557381000
 H	-7.243732000	 3.997264000	-2.207466000
 H	-6.660713000	 4.014177000	-0.532731000
 H	-5.528137000	 4.316539000	-1.864892000
 C	-5.687444000	 1.851896000	-3.095105000
 H	-4.813857000	 2.433986000	-3.408792000
 H	-5.421431000	 0.793130000	-3.138256000
 H	-6.507845000	 2.046930000	-3.795009000
 C	-7.751843000	-1.075403000	-1.861635000
 H	-8.293895000	-1.974487000	-2.184562000
 H	-8.327659000	-0.618689000	-1.049781000
 H	-7.749700000	-0.381859000	-2.710757000
 C	 5.015169000	-0.849290000	 1.656043000
 H	 5.467252000	-0.226036000	 0.880150000
 H	 5.008367000	-0.271923000	 2.587992000
 H	 5.683818000	-1.706620000	 1.811717000
 C	 6.207095000	-3.766424000	-0.379096000
 H	 5.363881000	-3.079970000	-0.337786000
 H	 6.008415000	-4.795159000	-0.086750000
 C	 7.418287000	-3.376580000	-0.781238000
 H	 8.230324000	-4.105926000	-0.810350000
 C	 7.779704000	-1.978397000	-1.203763000
 H	 8.121303000	-1.974890000	-2.248776000
 H	 6.909221000	-1.318017000	-1.136444000
 C	 8.908241000	-1.407052000	-0.339577000
 H	 9.802711000	-2.033831000	-0.392870000
 H	 8.593529000	-1.316410000	 0.703366000
 C	 9.103226000	 2.185051000	-1.078654000
 C	 8.553363000	 3.402492000	-0.912000000
 H	 9.022497000	 4.225218000	-1.451423000
 C	 7.332173000	 3.736907000	-0.099286000
 H	 7.319261000	 4.810720000	 0.122864000
 H	 7.366921000	 3.195236000	 0.850446000
 C	 6.029013000	 3.337817000	-0.829429000
 H	 6.137667000	 2.304273000	-1.174979000
 H	 5.894582000	 3.961669000	-1.723834000
 C	 4.792117000	 3.423094000	 0.071369000
 H	 4.606242000	 4.465132000	 0.369982000
 H	 4.996521000	 2.865984000	 0.996880000
 C	 3.544477000	 2.829421000	-0.593068000
 H	 3.795249000	 1.825272000	-0.965753000
 H	 3.267010000	 3.422670000	-1.476505000
 C	 2.342728000	 2.701952000	 0.350672000
 H	 1.982946000	 3.697337000	 0.649793000
 H	 2.670190000	 2.199687000	 1.272402000
 C	 1.202715000	 1.882689000	-0.277363000
 H	 1.629598000	 0.944254000	-0.647496000
 H	 0.780828000	 2.389076000	-1.150719000
 O	 9.336681000	-0.117486000	-0.831112000
 C	 8.590589000	 0.949718000	-0.454239000
 O	 7.630006000	 0.857177000	 0.295287000
 H	 9.974864000	 2.061230000	-1.714563000

-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

