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

R1H_SP

0 1
 C	-2.822409000	 0.466080000	 0.201553000
 C	-1.605155000	-0.335304000	 0.034474000
 O	-0.889555000	 0.177306000	-1.136517000
 C	-0.567945000	-0.034693000	 1.151899000
 O	 0.205646000	 1.047370000	 0.604765000
 H	 0.089389000	-0.891777000	 1.321199000
 H	-1.025062000	 0.286786000	 2.087177000
 C	 0.069334000	 1.053441000	-0.739067000
 O	 0.706796000	 1.739999000	-1.489501000
 C	-3.812166000	 1.137822000	 0.361283000
 H	-4.688614000	 1.737823000	 0.490641000
 C	-1.866990000	-1.825214000	-0.138106000
 C	-0.894557000	-2.622042000	-0.758067000
 C	-1.087908000	-3.998189000	-0.874742000
 C	-2.246826000	-4.591180000	-0.364589000
 C	-3.212547000	-3.799469000	 0.259164000
 C	-3.026424000	-2.419169000	 0.370059000
 H	-3.784662000	-1.807662000	 0.848989000
 H	-4.116584000	-4.251763000	 0.657433000
 H	-2.395876000	-5.663652000	-0.455563000
 H	-0.333441000	-4.606511000	-1.365967000
 H	 0.004699000	-2.164644000	-1.158768000

-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

