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

LCu2_SP

2 2
 Cu	 0.653081000	 6.103862000	 7.624054000
 N	 1.425037000	 5.111061000	 6.083772000
 C	 1.824831000	 5.813890000	 4.834688000
 H	 2.859466000	 6.144927000	 4.960812000
 O	 1.543569000	 3.458106000	 4.609281000
 O	 0.020803000	 2.411520000	 9.020480000
 N	-0.234229000	 4.459820000	 8.218064000
 C	 1.740930000	 4.669251000	 3.793988000
 H	 0.878859000	 4.748355000	 3.128621000
 H	 2.656762000	 4.532479000	 3.220720000
 C	 1.303285000	 3.844705000	 5.850586000
 C	 1.007196000	 2.745382000	 6.848168000
 C	 0.251287000	 3.270821000	 8.043740000
 C	-0.538286000	 3.174696000	 10.158203000
 H	 0.260924000	 3.275427000	 10.896606000
 H	-1.368238000	 2.597944000	 10.562774000
 C	-0.960898000	 4.509663000	 9.511601000
 H	-2.032205000	 4.513267000	 9.290767000
 C	 0.939290000	 7.013176000	 4.564339000
 C	 1.505000000	 8.235123000	 4.183461000
 H	 2.583311000	 8.317862000	 4.071249000
 C	 0.687643000	 9.341705000	 3.940139000
 H	 1.133848000	 10.284841000	 3.638024000
 C	-0.698013000	 9.237431000	 4.089543000
 H	-1.331114000	 10.100062000	 3.902590000
 C	-1.268675000	 8.020959000	 4.476441000
 H	-2.345811000	 7.934030000	 4.588006000
 C	-0.454349000	 6.910670000	 4.709697000
 H	-0.897737000	 5.959411000	 4.996122000
 C	 0.144755000	 1.637320000	 6.190911000
 H	-0.061267000	 0.854117000	 6.923729000
 H	 0.692495000	 1.198611000	 5.354530000
 H	-0.803397000	 2.041312000	 5.823213000
 C	 2.370983000	 2.165788000	 7.319581000
 H	 2.194486000	 1.333037000	 8.004351000
 H	 2.968335000	 2.930218000	 7.826241000
 H	 2.926574000	 1.795005000	 6.454220000
 C	-0.583887000	 5.797440000	 10.210771000
 C	 0.774730000	 6.168456000	 10.309735000
 H	 1.557274000	 5.453832000	 10.056064000
 C	 1.129501000	 7.415796000	 10.842641000
 H	 2.177941000	 7.685985000	 10.926944000
 C	 0.136539000	 8.289685000	 11.287040000
 H	 0.407813000	 9.253525000	 11.707020000
 C	-1.209924000	 7.915663000	 11.205066000
 H	-1.982539000	 8.591463000	 11.559694000
 C	-1.569942000	 6.682782000	 10.657180000
 H	-2.617397000	 6.406316000	 10.574593000

-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

