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

LCuFIP2_preopt_SP

0 2
 29	 0.379213000	 6.964110000	 7.353260000
 7	 1.315671000	 5.740331000	 6.017104000
 6	 1.781872000	 6.276391000	 4.704380000
 1	 2.503753000	 7.069177000	 4.882458000
 8	 1.937658000	 3.920994000	 4.877059000
 9	-0.192844000	 9.959196000	 10.091315000
 9	-2.345536000	 9.676981000	 9.972950000
 8	-0.598422000	 3.120233000	 8.832505000
 7	-0.273767000	 5.264335000	 8.288757000
 6	 2.453730000	 5.035020000	 4.081880000
 1	 2.189560000	 4.851513000	 3.040525000
 1	 3.540574000	 5.042674000	 4.199771000
 6	 1.368671000	 4.457582000	 5.967446000
 8	-0.967791000	 7.984901000	 8.243051000
 9	-1.426813000	 11.432613000	 9.068970000
 8	 1.456996000	 8.487920000	 6.830380000
 9	-3.398727000	 9.280443000	 7.466791000
 6	 0.888971000	 3.440214000	 6.979258000
 9	-2.227822000	 10.884219000	 6.570895000
 6	-0.027533000	 4.032212000	 8.028209000
 6	-1.505706000	 3.856223000	 9.714364000
 1	-1.384547000	 3.459797000	 10.722390000
 1	-2.523135000	 3.676231000	 9.356779000
 9	-1.991602000	 8.837323000	 5.869163000
 9	 2.980325000	 10.787648000	 6.568194000
 6	-1.066797000	 5.326103000	 9.549760000
 1	-1.910877000	 5.993984000	 9.385304000
 9	 3.430553000	 9.276911000	 5.067531000
 9	 4.824221000	 9.636073000	 6.696942000
 9	 4.224906000	 8.743118000	 9.111034000
 9	 2.322323000	 7.729661000	 9.396698000
 9	 2.371712000	 9.889265000	 9.110433000
 6	 0.594142000	 6.832434000	 3.939087000
 6	 0.461409000	 8.212411000	 3.752379000
 1	 1.213181000	 8.878035000	 4.160873000
 6	-0.647367000	 8.728840000	 3.077334000
 1	-0.742662000	 9.803009000	 2.943115000
 6	-1.636959000	 7.871442000	 2.592826000
 1	-2.502046000	 8.274453000	 2.072900000
 6	-1.515488000	 6.491267000	 2.785854000
 1	-2.283643000	 5.818046000	 2.414394000
 6	-0.406185000	 5.975564000	 3.456372000
 1	-0.320424000	 4.901020000	 3.602743000
 6	 0.144201000	 2.299649000	 6.240617000
 1	-0.175845000	 1.544923000	 6.961535000
 1	 0.807153000	 1.831260000	 5.510974000
 1	-0.739309000	 2.683142000	 5.719395000
 6	 2.140637000	 2.878939000	 7.714251000
 1	 1.834947000	 2.109159000	 8.427374000
 1	 2.665523000	 3.675915000	 8.250946000
 1	 2.823047000	 2.432683000	 6.985564000
 6	-0.196096000	 5.861859000	 10.671310000
 6	 0.925168000	 5.141042000	 11.108343000
 1	 1.160883000	 4.176668000	 10.663280000
 6	 1.747671000	 5.653888000	 12.111687000
 1	 2.614382000	 5.087520000	 12.442639000
 6	 1.458704000	 6.896489000	 12.685891000
 1	 2.103112000	 7.299906000	 13.462633000
 6	 0.343999000	 7.617620000	 12.253307000
 1	 0.120664000	 8.590514000	 12.682407000
 6	-0.478961000	 7.101666000	 11.249739000
 1	-1.324028000	 7.674328000	 10.888894000
 6	-1.047492000	 9.325274000	 7.978428000
 1	-0.129059000	 9.733515000	 7.528017000
 6	-2.176745000	 9.592391000	 6.975055000
 6	-1.261364000	 10.104423000	 9.280362000
 6	 2.768667000	 8.486787000	 7.202530000
 1	 3.310557000	 7.540939000	 7.007012000
 6	 3.509302000	 9.562346000	 6.392484000
 6	 2.930932000	 8.731234000	 8.714690000

-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

