%nprocshared=8
%mem=20GB
#p genecp scf=xqc scrf=(solvent=tetrahydrofuran,smd) nosymm guess=always Int=grid=UltraFine empiricaldispersion=gd3 b3lyp

geom_63_SP

0 1
 C	 0.408780000	 3.333218000	 0.775178000
 H	 1.486268000	 3.236924000	 0.937944000
 N	 0.091090000	 2.661841000	-0.513864000
 O	-0.344115000	 4.826756000	-0.911647000
 Cu	-0.170990000	 0.619459000	-0.566425000
 C	 0.020250000	 4.808699000	 0.501511000
 H	-0.848479000	 5.145533000	 1.072461000
 H	 0.846884000	 5.506771000	 0.641996000
 N	-0.834573000	 0.874849000	-2.543043000
 O	-0.837798000	 1.800075000	-4.589921000
 C	-0.304527000	 3.551961000	-1.346336000
 C	-0.719643000	 3.387988000	-2.794714000
 C	-0.780312000	 1.942237000	-3.250652000
 C	-0.989372000	 0.374884000	-4.862159000
 H	-0.199228000	 0.081960000	-5.555670000
 H	-1.964940000	 0.230761000	-5.332157000
 C	-0.884924000	-0.293851000	-3.468018000
 H	-1.787386000	-0.866101000	-3.238520000
 C	 0.293452000	-0.862915000	 0.484225000
 C	 0.662182000	-1.830464000	 1.171292000
 C	 1.036459000	-2.887778000	 2.001728000
 C	 0.011653000	-3.335734000	 2.969486000
 C	 2.493375000	-2.833886000	 2.440775000
 O	 3.346566000	-3.163940000	 1.353443000
 H	 2.672337000	-3.517536000	 3.279421000
 H	 2.735642000	-1.816107000	 2.758717000
 O	 1.649544000	-4.583815000	 0.849292000
 C	 2.859964000	-4.227886000	 0.588749000
 O	 3.619050000	-4.711297000	-0.243984000
 C	 0.197756000	-4.541784000	 3.673783000
 C	-1.863448000	-4.180257000	 4.883383000
 C	-0.732954000	-4.961131000	 4.620324000
 C	-1.139561000	-2.568150000	 3.227222000
 C	-2.061654000	-2.985595000	 4.184964000
 H	-1.290312000	-1.634838000	 2.695829000
 H	 1.057031000	-5.162007000	 3.441647000
 H	-0.581840000	-5.898772000	 5.148005000
 H	-2.587659000	-4.504010000	 5.626136000
 H	-2.937890000	-2.375236000	 4.386040000
 C	-0.323792000	 2.650703000	 1.913401000
 C	 0.391624000	 1.971777000	 2.905063000
 C	-1.725379000	 2.605465000	 1.931455000
 C	-0.278548000	 1.259636000	 3.903132000
 H	 1.478615000	 1.985605000	 2.884843000
 C	-2.397451000	 1.896127000	 2.927371000
 H	-2.292909000	 3.111606000	 1.153757000
 C	-1.674437000	 1.219496000	 3.915734000
 H	 0.289374000	 0.728437000	 4.662124000
 H	-3.483877000	 1.866285000	 2.929809000
 H	-2.196696000	 0.662485000	 4.688892000
 C	 0.334840000	-1.162270000	-3.231758000
 C	 0.203723000	-2.409673000	-2.613024000
 C	 1.617530000	-0.666944000	-3.506852000
 C	 1.334782000	-3.146388000	-2.252847000
 H	-0.788238000	-2.786921000	-2.375675000
 C	 2.748407000	-1.407221000	-3.161413000
 H	 1.732826000	 0.310527000	-3.971217000
 C	 2.609631000	-2.644207000	-2.523213000
 H	 1.229071000	-4.089885000	-1.727409000
 H	 3.738432000	-1.011230000	-3.373426000
 H	 3.480207000	-3.209357000	-2.207279000
 C	-2.141035000	 3.987340000	-2.978235000
 H	-2.454362000	 3.875404000	-4.019782000
 H	-2.864980000	 3.475484000	-2.335367000
 H	-2.133538000	 5.050236000	-2.725523000
 C	 0.300873000	 4.164930000	-3.668126000
 H	 1.302246000	 3.730060000	-3.581143000
 H	-0.005217000	 4.134143000	-4.715811000
 H	 0.341571000	 5.207514000	-3.343884000

-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

