%nprocshared=24
%mem=120GB
#p b3lyp genecp scf=xqc scrf=(smd,solvent=tetrahydrofuran) nosymm guess=always empiricaldispersion=gd3 integral=grid=UltraFine

LCuFIP_SP

0 1
 29	 0.533078000	 6.682177000	 7.390408000
 7	 1.489577000	 5.292581000	 6.022182000
 6	 2.119057000	 5.725058000	 4.744250000
 1	 3.014715000	 6.305487000	 4.977852000
 8	 1.734419000	 3.393241000	 4.840016000
 8	-0.565124000	 2.959141000	 9.015735000
 7	-0.267857000	 5.064679000	 8.297853000
 6	 2.482008000	 4.379767000	 4.071957000
 1	 2.173097000	 4.300717000	 3.028897000
 1	 3.544466000	 4.137323000	 4.163879000
 6	 1.281576000	 4.032474000	 5.945806000
 8	 0.804662000	 8.573804000	 7.343454000
 6	 0.601674000	 3.105387000	 6.933143000
 6	-0.079949000	 3.812836000	 8.088018000
 6	-1.308028000	 3.758742000	 9.980593000
 1	-1.005108000	 3.447212000	 10.980909000
 1	-2.371356000	 3.551885000	 9.832568000
 9	 1.355198000	 11.311605000	 7.614930000
 6	-0.931619000	 5.215783000	 9.624624000
 1	-1.822619000	 5.832435000	 9.490396000
 9	 1.536882000	 10.579877000	 5.574429000
 9	 3.323741000	 11.028040000	 6.727204000
 9	 4.053861000	 9.379551000	 8.658111000
 9	 2.828681000	 7.630382000	 9.059643000
 9	 2.122495000	 9.606304000	 9.640305000
 6	 1.137815000	 6.593092000	 3.978549000
 6	 1.341840000	 7.971664000	 3.879921000
 1	 2.227301000	 8.417583000	 4.321728000
 6	 0.404059000	 8.784304000	 3.237647000
 1	 0.571336000	 9.855992000	 3.182103000
 6	-0.747250000	 8.220793000	 2.685240000
 1	-1.477993000	 8.851082000	 2.185230000
 6	-0.960483000	 6.840857000	 2.781584000
 1	-1.856139000	 6.396042000	 2.355627000
 6	-0.025099000	 6.033417000	 3.428229000
 1	-0.203791000	 4.963627000	 3.511477000
 6	-0.482161000	 2.283845000	 6.181828000
 1	-0.968396000	 1.594858000	 6.876763000
 1	-0.022064000	 1.706974000	 5.376707000
 1	-1.242147000	 2.945213000	 5.751669000
 6	 1.687505000	 2.155030000	 7.508190000
 1	 1.230355000	 1.422904000	 8.177548000
 1	 2.441745000	 2.720613000	 8.065875000
 1	 2.180428000	 1.625690000	 6.688891000
 6	 0.018811000	 5.901457000	 10.587505000
 6	 1.178357000	 5.246938000	 11.027889000
 1	 1.384260000	 4.229831000	 10.701391000
 6	 2.074840000	 5.893493000	 11.878387000
 1	 2.969382000	 5.375952000	 12.214853000
 6	 1.826250000	 7.206566000	 12.291747000
 1	 2.527671000	 7.712294000	 12.949957000
 6	 0.679211000	 7.867402000	 11.848960000
 1	 0.485963000	 8.891702000	 12.154822000
 6	-0.219629000	 7.216105000	 11.000028000
 1	-1.106328000	 7.736141000	 10.645759000
 6	 2.074270000	 9.036561000	 7.297686000
 1	 2.762855000	 8.510023000	 6.602038000
 6	 2.076131000	 10.499118000	 6.813437000
 6	 2.772758000	 8.929067000	 8.671370000

-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

