%nprocshared=24
%mem=120GB
#p genecp scf=xqc nosymm guess=always Int=grid=UltraFine empiricaldispersion=gd3 b3lyp

ProductSH_noBase_opt_SP

1 1
 C	 0.522658000	 3.569202000	 0.428577000
 H	 1.550153000	 3.334269000	 0.718734000
 N	 0.142965000	 2.649956000	-0.672261000
 O	 0.038162000	 4.680885000	-1.615769000
 Cu	-0.014932000	 0.590904000	-0.455111000
 C	 0.435780000	 4.966597000	-0.241692000
 H	-0.326690000	 5.614147000	 0.196294000
 H	 1.392967000	 5.489895000	-0.273445000
 N	-0.551036000	 0.426410000	-2.439734000
 O	-1.203217000	 1.071985000	-4.483457000
 C	-0.104610000	 3.344715000	-1.718536000
 C	-0.551938000	 2.895214000	-3.095216000
 C	-0.758365000	 1.398820000	-3.255460000
 C	-1.483693000	-0.356371000	-4.466455000
 H	-1.079706000	-0.790121000	-5.381228000
 H	-2.569975000	-0.479699000	-4.437294000
 C	-0.788906000	-0.839330000	-3.169332000
 H	-1.469362000	-1.459561000	-2.578707000
 C	-1.130220000	-0.022350000	 1.327472000
 C	-0.094626000	-0.627122000	 1.558034000
 C	 1.115251000	-1.338613000	 1.954136000
 C	 1.274086000	-2.694468000	 1.286031000
 C	 1.231310000	-1.364836000	 3.513754000
 O	 0.838725000	-0.168318000	 4.133680000
 H	 2.257703000	-1.649142000	 3.784621000
 H	 0.560028000	-2.151235000	 3.869253000
 C	 1.967281000	-3.734219000	 1.926387000
 C	 1.702526000	-5.141463000	-0.025882000
 C	 2.174123000	-4.949903000	 1.274129000
 C	 0.798081000	-2.898266000	-0.017730000
 C	 1.012692000	-4.111742000	-0.669307000
 H	 0.270859000	-2.103090000	-0.534163000
 H	 2.365877000	-3.607862000	 2.926089000
 H	 2.712349000	-5.743847000	 1.783817000
 H	 1.872483000	-6.085727000	-0.535677000
 H	 0.649911000	-4.242985000	-1.682968000
 C	-0.391722000	 3.361535000	 1.618280000
 C	 0.131566000	 2.997261000	 2.861973000
 C	-1.780858000	 3.477475000	 1.465947000
 C	-0.719321000	 2.748120000	 3.942623000
 H	 1.206534000	 2.890781000	 2.976493000
 C	-2.632312000	 3.228906000	 2.542611000
 H	-2.196432000	 3.753604000	 0.499324000
 C	-2.101645000	 2.860291000	 3.784480000
 H	-0.302731000	 2.452304000	 4.900870000
 H	-3.707675000	 3.322458000	 2.415383000
 H	-2.764271000	 2.661618000	 4.622446000
 C	 0.498566000	-1.612873000	-3.421636000
 C	 0.410512000	-2.868865000	-4.041216000
 C	 1.757824000	-1.110510000	-3.079406000
 C	 1.561148000	-3.608804000	-4.315145000
 H	-0.565558000	-3.267325000	-4.310734000
 C	 2.911446000	-1.853080000	-3.353211000
 H	 1.841099000	-0.147485000	-2.589328000
 C	 2.818061000	-3.102884000	-3.967609000
 H	 1.476541000	-4.579809000	-4.795723000
 H	 3.883535000	-1.448699000	-3.083484000
 H	 3.715639000	-3.677757000	-4.178569000
 H	 1.439334000	 0.530809000	 3.818178000
 C	-1.890709000	 3.611770000	-3.421750000
 H	-2.673450000	 3.312756000	-2.715925000
 H	-1.756079000	 4.693490000	-3.357972000
 H	-2.212720000	 3.354728000	-4.432860000
 C	 0.544969000	 3.318863000	-4.114198000
 H	 1.491429000	 2.812144000	-3.897198000
 H	 0.230551000	 3.059782000	-5.127704000
 H	 0.702220000	 4.398381000	-4.058469000
 S	 2.560549000	-0.208385000	 1.321395000
 O	 2.753071000	 0.873197000	 2.319669000
 O	 2.219461000	 0.166794000	-0.078575000
 C	 4.019035000	-1.229690000	 1.274950000
 C	 4.854152000	-1.262757000	 2.395374000
 C	 4.260612000	-2.004074000	 0.135759000
 C	 5.968503000	-2.101893000	 2.365490000
 H	 4.643921000	-0.641091000	 3.258926000
 C	 5.377845000	-2.835817000	 0.125656000
 H	 3.586201000	-1.965713000	-0.711322000
 C	 6.226231000	-2.885857000	 1.236881000
 H	 6.635194000	-2.139345000	 3.221595000
 H	 5.582167000	-3.446220000	-0.748744000
 H	 7.093783000	-3.539364000	 1.223094000
 H	-2.093088000	 0.449822000	 1.345495000

-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

