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

Base_s2_SP

1 2
 C	 1.892276000	 3.971643000	 7.801918000
 H	 2.042195000	 4.089114000	 6.726597000
 H	 0.897262000	 4.345047000	 8.058429000
 N	 1.909483000	 2.536014000	 8.090701000
 C	 2.959293000	 4.782018000	 8.566371000
 H	 2.905898000	 5.811005000	 8.196590000
 H	 3.965246000	 4.400570000	 8.383201000
 H	 2.773695000	 4.792088000	 9.640832000
 C	 2.575307000	 1.647671000	 7.110019000
 H	 2.067457000	 1.880500000	 6.161413000
 C	 2.433025000	 0.155673000	 7.399123000
 H	 2.891997000	-0.382288000	 6.564071000
 H	 1.391694000	-0.170089000	 7.465763000
 H	 2.963441000	-0.136446000	 8.311381000
 C	 4.060426000	 2.043117000	 6.959760000
 H	 4.511429000	 1.364026000	 6.230670000
 H	 4.586210000	 1.930090000	 7.912741000
 H	 4.189249000	 3.063035000	 6.591763000
 C	 1.071450000	 2.001041000	 9.172494000
 H	 1.450437000	 1.003153000	 9.389809000
 C	-0.374454000	 1.873478000	 8.625794000
 H	-0.972654000	 1.359649000	 9.384428000
 H	-0.405689000	 1.293485000	 7.699393000
 H	-0.808069000	 2.861465000	 8.443828000
 C	 1.116744000	 2.832767000	 10.456239000
 H	 0.504997000	 2.314838000	 11.201572000
 H	 0.701637000	 3.835643000	 10.322342000
 H	 2.135467000	 2.909976000	 10.845581000

-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

