%nprocshared=12
%mem=20GB
#p genecp scf=xqc nosymm guess=always Int=grid=UltraFine empiricaldispersion=gd3 b3lyp

ProductR_onlybase_opt_SP

0 1
 N	-3.296795000	 0.997636000	-2.023039000
 C	-4.110178000	-0.206661000	-2.300593000
 C	-3.367597000	 2.106859000	-3.015616000
 C	-3.363582000	 1.500638000	-0.643203000
 H	-5.177337000	 0.052907000	-2.422641000
 C	-4.026380000	-1.229726000	-1.155864000
 C	-3.649809000	-0.903432000	-3.591756000
 H	-3.191620000	 3.019859000	-2.434784000
 C	-4.725702000	 2.311738000	-3.713460000
 C	-2.216476000	 2.037303000	-4.033750000
 H	-3.046158000	 0.705686000	 0.037761000
 H	-2.602686000	 2.285422000	-0.548461000
 C	-4.716422000	 2.060085000	-0.171513000
 H	-4.488828000	-0.877008000	-0.229297000
 H	-4.551757000	-2.145104000	-1.450575000
 H	-2.982270000	-1.492452000	-0.944321000
 H	-3.787749000	-0.285750000	-4.481479000
 H	-2.587625000	-1.167464000	-3.521699000
 H	-4.225815000	-1.824125000	-3.743852000
 H	-5.542437000	 2.393684000	-2.988669000
 H	-4.700493000	 3.241918000	-4.294186000
 H	-4.970860000	 1.501789000	-4.408317000
 H	-1.260366000	 1.912422000	-3.513042000
 H	-2.326694000	 1.206919000	-4.737458000
 H	-2.168906000	 2.964232000	-4.620378000
 H	-4.658618000	 2.358504000	 0.883240000
 H	-5.009990000	 2.942900000	-0.750812000
 H	-5.515039000	 1.314964000	-0.265196000

-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


