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

R1_SP

-1 1
 C	-2.841503000	 0.471115000	 0.334155000
 C	-1.643284000	-0.313819000	 0.087552000
 O	-0.953998000	 0.180266000	-1.152949000
 C	-0.515090000	-0.030721000	 1.123713000
 O	 0.275277000	 1.005424000	 0.514617000
 H	 0.125810000	-0.902388000	 1.291981000
 H	-0.910364000	 0.334957000	 2.070783000
 C	 0.044135000	 1.012354000	-0.819700000
 O	 0.670725000	 1.684376000	-1.602084000
 C	-3.878526000	 1.106193000	 0.598911000
 C	-1.876787000	-1.811895000	-0.104006000
 C	-0.867324000	-2.611026000	-0.661844000
 C	-1.050449000	-3.986255000	-0.806270000
 C	-2.243999000	-4.583136000	-0.386921000
 C	-3.250302000	-3.792847000	 0.171719000
 C	-3.068517000	-2.413858000	 0.310058000
 H	-3.850512000	-1.790645000	 0.732507000
 H	-4.183031000	-4.246067000	 0.497799000
 H	-2.387418000	-5.654923000	-0.498417000
 H	-0.262934000	-4.591506000	-1.248266000
 H	 0.058135000	-2.151101000	-0.996970000

-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

