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

BaseH_SP

1 1
 C	 2.020573000	 3.961627000	 7.982201000
 H	 2.042822000	 4.001291000	 6.893663000
 H	 1.032511000	 4.291513000	 8.296518000
 N	 2.172238000	 2.494022000	 8.387892000
 H	 2.977551000	 2.445317000	 9.023749000
 C	 3.104117000	 4.830426000	 8.602603000
 H	 2.957303000	 5.866677000	 8.281422000
 H	 4.104742000	 4.515712000	 8.288271000
 H	 3.054115000	 4.804202000	 9.696573000
 C	 2.556354000	 1.602233000	 7.190806000
 H	 1.776274000	 1.778841000	 6.446471000
 C	 2.593024000	 0.125458000	 7.578336000
 H	 2.989237000	-0.437275000	 6.727449000
 H	 1.606835000	-0.283860000	 7.809334000
 H	 3.262346000	-0.045942000	 8.429868000
 C	 3.915300000	 2.050731000	 6.649547000
 H	 4.159184000	 1.437320000	 5.777058000
 H	 4.702998000	 1.900385000	 7.397378000
 H	 3.930683000	 3.095745000	 6.330113000
 C	 0.992121000	 1.978122000	 9.230880000
 H	 1.282371000	 0.962959000	 9.502017000
 C	-0.301709000	 1.940447000	 8.426693000
 H	-1.077487000	 1.488569000	 9.052845000
 H	-0.209132000	 1.334155000	 7.521433000
 H	-0.644054000	 2.941592000	 8.146784000
 C	 0.882169000	 2.790124000	 10.519661000
 H	 0.141977000	 2.306110000	 11.164605000
 H	 0.549442000	 3.817806000	 10.346376000
 H	 1.833983000	 2.812431000	 11.062341000

-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

