%nprocshared=12
%mem=20GB
#p genecp scf=xqc scrf=(solvent=tetrahydrofuran,smd) nosymm guess=always Int=grid=UltraFine empiricaldispersion=gd3 b3lyp

Base_SP

0 1
 C	 2.003807000	 3.920169000	 7.962132000
 H	 2.033329000	 4.021498000	 6.868857000
 H	 1.018184000	 4.298772000	 8.255585000
 N	 2.143641000	 2.500484000	 8.345814000
 C	 3.078623000	 4.811018000	 8.590891000
 H	 2.954595000	 5.855809000	 8.275446000
 H	 4.083456000	 4.483502000	 8.302691000
 H	 3.019036000	 4.776000000	 9.684655000
 C	 2.538224000	 1.639759000	 7.208043000
 H	 1.820175000	 1.751965000	 6.371310000
 C	 2.585201000	 0.150620000	 7.577728000
 H	 3.019167000	-0.415421000	 6.745792000
 H	 1.596291000	-0.273745000	 7.776312000
 H	 3.216905000	-0.010493000	 8.460275000
 C	 3.923980000	 2.057384000	 6.688381000
 H	 4.207598000	 1.437073000	 5.829762000
 H	 4.678050000	 1.927209000	 7.474363000
 H	 3.953833000	 3.100532000	 6.359969000
 C	 1.028358000	 1.997772000	 9.177096000
 H	 1.293402000	 0.974727000	 9.457359000
 C	-0.335087000	 1.940785000	 8.460234000
 H	-1.089264000	 1.470398000	 9.103195000
 H	-0.274122000	 1.357558000	 7.534086000
 H	-0.699435000	 2.942585000	 8.202444000
 C	 0.930841000	 2.779280000	 10.494296000
 H	 0.198103000	 2.303640000	 11.157283000
 H	 0.608887000	 3.816007000	 10.343061000
 H	 1.899674000	 2.793398000	 11.005760000

-C -H -F 0
cc-pvtz
****
-O -N -S 0
aug-cc-pvtz
****
-Cu     0
S   1   1.00
8.1760000              1.0000000
S   1   1.00
2.5680000              1.0000000
S   1   1.00
0.9587000              1.0000000
S   1   1.00
0.1153000              1.0000000
S   1   1.00
0.0396000              1.0000000
P   1   1.00
25.6300000              1.0000000
P   1   1.00
3.1660000              1.0000000
P   1   1.00
1.0230000              1.0000000
P   1   1.00
0.0860000              1.0000000
P   1   1.00
0.0240000              1.0000000
D   3   1.00
41.3400000              0.0465424
11.4200000              0.2227824
3.8390000              0.4539059
D   1   1.00
1.2300000              1.0000000
D   1   1.00
0.3102000              1.0000000
D   1   1.00
0.1010000              1.0000000
****

-CU     0
CU-ECP     2     10
d potential
3
1    511.9951763            -10.0000000
2     93.2801074            -72.5548282
2     23.2206669            -12.7450231
s-d potential
4
0    173.1180854              3.0000000
1    185.2419886             23.8351825
2     73.1517847            473.8930488
2     14.6884157            157.6345823
p-d potential
4
0    100.7191369              5.0000000
1    130.8345665              6.4990936
2     53.8683720            351.4605395
2     14.0989469             85.5016036

