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

Product_R_v2_SP

0 1
 C	 3.701856000	 8.009034000	 5.225404000
 C	 4.344075000	 7.303092000	 5.965215000
 C	 5.138664000	 6.464319000	 6.851409000
 C	 5.548503000	 5.143237000	 6.213893000
 C	 4.440032000	 6.323746000	 8.239973000
 O	 3.885928000	 7.521575000	 8.723855000
 H	 5.148968000	 5.885779000	 8.956520000
 H	 3.617349000	 5.613724000	 8.112014000
 C	 5.716891000	 3.982740000	 6.983805000
 C	 6.444953000	 2.758665000	 5.025012000
 C	 6.156145000	 2.797895000	 6.390045000
 C	 5.837435000	 5.094135000	 4.841116000
 C	 6.284549000	 3.912200000	 4.252274000
 H	 5.718600000	 5.987566000	 4.238008000
 H	 5.522883000	 3.989894000	 8.050117000
 H	 6.279290000	 1.907960000	 7.000991000
 H	 6.792602000	 1.837125000	 4.566076000
 H	 6.506402000	 3.893565000	 3.188809000
 H	 4.609706000	 8.176089000	 8.751200000
 S	 6.751144000	 7.476292000	 7.133551000
 O	 6.387273000	 8.598027000	 8.040350000
 O	 7.353005000	 7.769175000	 5.821504000
 C	 7.846967000	 6.377349000	 8.028828000
 C	 7.832557000	 6.390341000	 9.426396000
 C	 8.677114000	 5.516373000	 7.305019000
 C	 8.670086000	 5.510252000	 10.112983000
 H	 7.190688000	 7.082137000	 9.961318000
 C	 9.508297000	 4.643400000	 8.005639000
 H	 8.666960000	 5.528846000	 6.220866000
 C	 9.501579000	 4.638286000	 9.404080000
 H	 8.674805000	 5.509652000	 11.198950000
 H	 10.158713000	 3.966920000	 7.459292000
 H	 10.150341000	 3.954103000	 9.943720000
 H	 3.120026000	 8.629310000	 4.576907000

-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

