%nprocshared=12
%mem=22GB
#p scf=xqc b3lyp genecp EmpiricalDispersion=GD3 scrf=(smd,solvent=toluene)

geom4_sp

0 1
 C	 1.981171000	-1.407815000	 2.277462000
 H	 2.253939000	-1.888811000	 1.330391000
 C	 0.488891000	-1.178849000	 2.302824000
 C	-0.374896000	-1.499687000	 1.336259000
 H	-0.004426000	-1.940558000	 0.410858000
 C	-1.872642000	-1.333848000	 1.415532000
 C	-2.361254000	-0.263216000	 0.408600000
 H	-2.002425000	-0.507113000	-0.594636000
 C	-3.854993000	-0.080855000	 0.414158000
 C	-4.597595000	-0.322319000	-0.662697000
 H	-4.188024000	-0.645595000	-1.614274000
 I	-6.700285000	-0.131392000	-0.703980000
 H	-4.297877000	 0.245070000	 1.352750000
 O	-1.808467000	 1.019796000	 0.807250000
 C	-0.799597000	 1.545644000	 0.070923000
 O	-0.328093000	 0.999376000	-0.913966000
 C	-0.404080000	 2.851580000	 0.638792000
 C	 0.704784000	 3.542420000	 0.319101000
 C	 1.810414000	 3.160637000	-0.619598000
 H	 1.864378000	 3.918317000	-1.415857000
 H	 1.579297000	 2.211802000	-1.101661000
 C	 3.202286000	 3.094749000	 0.073122000
 H	 3.888328000	 2.662114000	-0.664098000
 C	 3.730871000	 4.488571000	 0.441662000
 H	 3.760141000	 5.148438000	-0.434325000
 H	 4.748519000	 4.424052000	 0.845461000
 H	 3.109343000	 4.973561000	 1.205213000
 C	 3.199302000	 2.178847000	 1.308567000
 C	 2.786591000	 0.723386000	 1.060542000
 O	 3.748203000	 0.105578000	 0.199611000
 Si	 3.648435000	-0.593211000	-1.315762000
 C	 3.893434000	 0.694501000	-2.675941000
 H	 3.982185000	 0.207499000	-3.656110000
 H	 4.799287000	 1.291743000	-2.519853000
 H	 3.042304000	 1.383244000	-2.734596000
 C	 5.088787000	-1.848729000	-1.324904000
 C	 5.090074000	-2.646185000	-2.644871000
 H	 5.215963000	-1.995961000	-3.520223000
 H	 5.919439000	-3.369338000	-2.657510000
 H	 4.161661000	-3.215500000	-2.782095000
 C	 6.430098000	-1.101845000	-1.177838000
 H	 6.614400000	-0.422009000	-2.019466000
 H	 7.268673000	-1.814100000	-1.145502000
 H	 6.462030000	-0.509756000	-0.255330000
 C	 4.927700000	-2.825380000	-0.142325000
 H	 5.752680000	-3.553742000	-0.127470000
 H	 3.992837000	-3.397351000	-0.205246000
 H	 4.932892000	-2.296438000	 0.817351000
 C	 1.997395000	-1.453419000	-1.606632000
 H	 1.919094000	-1.756685000	-2.659054000
 H	 1.155590000	-0.785022000	-1.396505000
 H	 1.883946000	-2.354896000	-0.994066000
 H	 1.793903000	 0.691368000	 0.595589000
 H	 4.205754000	 2.169651000	 1.748860000
 H	 2.525752000	 2.602291000	 2.066052000
 H	 0.842260000	 4.490107000	 0.840399000
 H	-1.084822000	 3.245935000	 1.387775000
 C	-2.570049000	-2.680649000	 1.151425000
 H	-2.364377000	-3.034633000	 0.132971000
 H	-3.656333000	-2.606484000	 1.266637000
 H	-2.200712000	-3.438626000	 1.850174000
 H	-2.144646000	-0.977872000	 2.418258000
 H	 0.106189000	-0.729526000	 3.223489000
 C	 2.744996000	-0.069299000	 2.374414000
 H	 3.784504000	-0.251289000	 2.676712000
 H	 2.287196000	 0.544517000	 3.162578000
 C	 2.385801000	-2.349138000	 3.426441000
 H	 1.847153000	-3.302057000	 3.366279000
 H	 3.461428000	-2.561658000	 3.395905000
 H	 2.161537000	-1.898566000	 4.402507000

-Si -O -C -H 0
cc-pvTZ
****
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    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
3.746410D-01           1.000000D+00
S    1   1.00
1.770800D-01           1.000000D+00
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    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
5.981000D-01           1.000000D+00
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
****

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

