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

geom_71_SP

0 1
 C	 0.395653000	 3.322723000	 0.780651000
 H	 1.476339000	 3.244865000	 0.932142000
 N	 0.079398000	 2.656610000	-0.510841000
 O	-0.373384000	 4.818314000	-0.897080000
 Cu	-0.118789000	 0.615052000	-0.614374000
 C	-0.021432000	 4.792419000	 0.519678000
 H	-0.903166000	 5.103189000	 1.085553000
 H	 0.788346000	 5.506598000	 0.675402000
 N	-0.770001000	 0.869300000	-2.567064000
 O	-0.880139000	 1.818325000	-4.596998000
 C	-0.321863000	 3.547678000	-1.339968000
 C	-0.734793000	 3.388791000	-2.789764000
 C	-0.773183000	 1.947125000	-3.261147000
 C	-0.973151000	 0.390309000	-4.886249000
 H	-0.169336000	 0.137906000	-5.580153000
 H	-1.939432000	 0.213051000	-5.362830000
 C	-0.846600000	-0.291648000	-3.500754000
 H	-1.752812000	-0.852546000	-3.256957000
 C	 0.318450000	-0.826689000	 0.483881000
 C	 0.650712000	-1.775900000	 1.223338000
 C	 0.983843000	-2.822536000	 2.058352000
 C	-0.042419000	-3.263573000	 3.009054000
 C	 2.451319000	-2.879398000	 2.453797000
 O	 3.310635000	-3.080177000	 1.355280000
 H	 2.610963000	-3.648363000	 3.219480000
 H	 2.705047000	-1.907017000	 2.892068000
 O	 1.846378000	-4.743327000	 0.810198000
 C	 2.976283000	-4.219762000	 0.566328000
 O	 3.835119000	-4.547237000	-0.254109000
 C	 0.123419000	-4.485920000	 3.694962000
 C	-1.942269000	-4.116155000	 4.892527000
 C	-0.819845000	-4.907675000	 4.627113000
 C	-1.192402000	-2.487742000	 3.265540000
 C	-2.124218000	-2.908286000	 4.209288000
 H	-1.326472000	-1.543795000	 2.748342000
 H	 0.972670000	-5.115405000	 3.451794000
 H	-0.686268000	-5.855562000	 5.140670000
 H	-2.675508000	-4.441724000	 5.625463000
 H	-2.995315000	-2.292298000	 4.414780000
 C	-0.312208000	 2.621281000	 1.922487000
 C	 0.427706000	 1.966316000	 2.912432000
 C	-1.711898000	 2.538609000	 1.949630000
 C	-0.216817000	 1.242234000	 3.918774000
 H	 1.513747000	 2.009353000	 2.885276000
 C	-2.358291000	 1.817043000	 2.953843000
 H	-2.297777000	 3.026003000	 1.173561000
 C	-1.611133000	 1.165838000	 3.941260000
 H	 0.369963000	 0.730399000	 4.676716000
 H	-3.443451000	 1.758129000	 2.963660000
 H	-2.113095000	 0.599278000	 4.720844000
 C	 0.363460000	-1.178259000	-3.284589000
 C	 0.227685000	-2.385151000	-2.589090000
 C	 1.645494000	-0.732692000	-3.635269000
 C	 1.353750000	-3.126934000	-2.224055000
 H	-0.763385000	-2.722634000	-2.294645000
 C	 2.771190000	-1.479895000	-3.285222000
 H	 1.769187000	 0.211600000	-4.161638000
 C	 2.629205000	-2.671639000	-2.567150000
 H	 1.245833000	-4.031661000	-1.633637000
 H	 3.761320000	-1.121608000	-3.555873000
 H	 3.496065000	-3.235431000	-2.238999000
 C	-2.166247000	 3.967149000	-2.964876000
 H	-2.477217000	 3.868207000	-4.008252000
 H	-2.881931000	 3.432575000	-2.331228000
 H	-2.176008000	 5.025388000	-2.693688000
 C	 0.271983000	 4.188647000	-3.658590000
 H	 1.280678000	 3.770548000	-3.573762000
 H	-0.033997000	 4.157698000	-4.706330000
 H	 0.294433000	 5.230059000	-3.328983000

-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

