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

R2_SP

-1 1
 S	 5.066370000	 7.720808000	 8.562523000
 O	 5.094314000	 7.251766000	 10.018979000
 O	 4.401970000	 9.081924000	 8.343860000
 C	 6.863401000	 8.127185000	 8.267066000
 C	 7.861950000	 7.387819000	 8.906177000
 C	 7.217448000	 9.111136000	 7.340575000
 C	 9.209424000	 7.627930000	 8.620258000
 H	 7.568411000	 6.640567000	 9.639751000
 C	 8.563483000	 9.355179000	 7.051034000
 H	 6.427926000	 9.690956000	 6.868415000
 C	 9.562357000	 8.610950000	 7.688827000
 H	 9.985145000	 7.055761000	 9.125658000
 H	 8.836534000	 10.127832000	 6.334751000
 H	 10.609784000	 8.798234000	 7.463559000

-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

