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

geom_43_SP

0 1
 C	 0.749671000	 2.812857000	 0.745430000
 H	 1.830218000	 2.649105000	 0.799982000
 N	 0.276192000	 2.274856000	-0.550737000
 O	-0.140543000	 4.480884000	-0.695717000
 Cu	-0.007827000	 0.155197000	-0.908687000
 C	 0.427749000	 4.331771000	 0.636755000
 H	-0.321689000	 4.667562000	 1.357460000
 H	 1.312891000	 4.967863000	 0.698847000
 N	-0.779216000	 0.699014000	-2.699859000
 O	-1.309074000	 1.877672000	-4.534375000
 C	-0.184405000	 3.246320000	-1.243684000
 C	-0.772821000	 3.236227000	-2.640432000
 C	-0.929295000	 1.852727000	-3.240159000
 C	-1.515938000	 0.495819000	-4.948228000
 H	-0.949378000	 0.333044000	-5.866322000
 H	-2.582896000	 0.364397000	-5.143276000
 C	-1.018420000	-0.338023000	-3.741353000
 H	-1.799568000	-1.007998000	-3.375747000
 C	 0.458606000	-1.149326000	 0.382243000
 C	 0.757491000	-1.875283000	 1.331339000
 C	 1.040811000	-2.592732000	 2.552689000
 C	-0.177997000	-3.096071000	 3.303818000
 C	 2.061258000	-1.862404000	 3.456260000
 O	 3.347244000	-2.313551000	 3.001199000
 H	 1.939912000	-2.138513000	 4.508531000
 H	 2.003731000	-0.781356000	 3.341438000
 O	 1.936181000	-3.860661000	 2.205718000
 C	 3.218365000	-3.517506000	 2.386132000
 O	 4.163805000	-4.189233000	 2.051050000
 C	-0.030334000	-4.078456000	 4.294472000
 C	-2.393603000	-3.945674000	 4.801519000
 C	-1.132598000	-4.504232000	 5.034880000
 C	-1.442228000	-2.545231000	 3.069039000
 C	-2.543926000	-2.965486000	 3.818851000
 H	-1.555405000	-1.782283000	 2.306649000
 H	 0.946397000	-4.517578000	 4.473715000
 H	-1.007726000	-5.272835000	 5.792985000
 H	-3.251659000	-4.275230000	 5.381507000
 H	-3.519539000	-2.525143000	 3.629974000
 C	 0.091423000	 2.126975000	 1.927859000
 C	 0.830394000	 1.858731000	 3.084994000
 C	-1.263888000	 1.771385000	 1.887828000
 C	 0.227964000	 1.241644000	 4.185428000
 H	 1.884894000	 2.122712000	 3.121867000
 C	-1.865118000	 1.148765000	 2.982325000
 H	-1.840219000	 1.960285000	 0.986017000
 C	-1.119908000	 0.879691000	 4.134419000
 H	 0.815438000	 1.032780000	 5.075697000
 H	-2.912547000	 0.862600000	 2.932482000
 H	-1.585076000	 0.382603000	 4.981079000
 C	 0.252688000	-1.130594000	-3.974657000
 C	 0.320061000	-2.481360000	-3.619450000
 C	 1.391952000	-0.502568000	-4.498049000
 C	 1.506315000	-3.200382000	-3.790679000
 H	-0.555665000	-2.969222000	-3.198352000
 C	 2.576938000	-1.217716000	-4.669748000
 H	 1.354803000	 0.551397000	-4.765593000
 C	 2.636360000	-2.570042000	-4.315597000
 H	 1.547308000	-4.248847000	-3.508117000
 H	 3.454154000	-0.721489000	-5.076606000
 H	 3.560296000	-3.126945000	-4.446550000
 C	-2.183124000	 3.885915000	-2.590612000
 H	-2.614587000	 3.906932000	-3.594472000
 H	-2.849506000	 3.317554000	-1.932721000
 H	-2.108841000	 4.909339000	-2.216190000
 C	 0.165919000	 4.070811000	-3.553928000
 H	 1.153873000	 3.603511000	-3.625826000
 H	-0.259181000	 4.149802000	-4.556777000
 H	 0.282442000	 5.075221000	-3.139975000

-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

