%nprocshared=12
%mem=20GB
#p b3lyp genecp EmpiricalDispersion=GD3 scrf=(smd,solvent=acetonitrile) scf=xqc nosymm integral(ultrafine)

int9I

0 2
 C	-3.674862000	 0.225696000	 0.261954000
 C	-2.151175000	 0.148858000	 0.454586000
 C	-4.029229000	-0.830534000	-0.810168000
 H	-3.722693000	-1.834429000	-0.490015000
 H	-5.112561000	-0.844999000	-0.981084000
 H	-3.534438000	-0.606427000	-1.761312000
 C	-4.082377000	 1.626328000	-0.229413000
 H	-5.167918000	 1.669495000	-0.380464000
 H	-3.811935000	 2.395259000	 0.504796000
 H	-3.592837000	 1.872230000	-1.176238000
 C	-4.390439000	-0.103824000	 1.579343000
 H	-4.111961000	-1.097553000	 1.942964000
 H	-4.135206000	 0.622711000	 2.359345000
 H	-5.476928000	-0.079792000	 1.432237000
 O	-1.440585000	 0.650336000	-0.522874000
 O	-1.637364000	-0.411146000	 1.433876000
 Cu	 0.396009000	 0.141962000	-0.269156000
 C	 0.907263000	-3.539763000	-2.409241000
 C	-0.103873000	-4.122939000	-0.362140000
 C	 0.396463000	-2.738056000	 0.106339000
 C	 0.789573000	-2.012780000	-2.203634000
 H	-0.081738000	-2.440492000	 1.040742000
 H	 1.479590000	-2.714942000	 0.246206000
 H	-1.116836000	-4.309436000	 0.006526000
 H	 0.562159000	-4.907816000	 0.027990000
 H	 1.858540000	-3.914553000	-2.003049000
 H	 0.872391000	-3.785570000	-3.473710000
 H	 1.779990000	-1.552955000	-2.152343000
 H	 0.220603000	-1.534920000	-3.004461000
 N	 0.070532000	-1.728749000	-0.928748000
 O	-0.192036000	-4.197221000	-1.787875000
 H	-0.934133000	-1.770807000	-1.111320000
 I	 2.903771000	 0.516923000	 0.304002000

-Cu -C -O -H -N 0
cc-pVTZ
****
I     0
S    11   1.00
5.546500D+03           1.560000D-04
8.382140D+02           9.860000D-04
1.821870D+02           2.792000D-03
3.121230D+01          -4.325100D-02
1.953140D+01           2.341340D-01
8.240990D+00          -7.509430D-01
2.194550D+00           8.829680D-01
1.109110D+00           4.620610D-01
3.746410D-01           2.228600D-02
1.770800D-01          -4.353000D-03
8.106100D-02           1.102000D-03
S    1   1.00
3.746410D-01           1.000000D+00
S    1   1.00
1.770800D-01           1.000000D+00
S    11   1.00
5.546500D+03          -7.300000D-05
8.382140D+02          -5.080000D-04
1.821870D+02          -1.158000D-03
3.121230D+01           1.219300D-02
1.953140D+01          -8.785400D-02
8.240990D+00           3.382000D-01
2.194550D+00          -5.765500D-01
1.109110D+00          -4.092980D-01
3.746410D-01           5.674590D-01
1.770800D-01           6.124890D-01
8.106100D-02           1.432310D-01
S    1   1.00
1.001000D-01           1.000000D+00
P    9   1.00
1.889880D+02           5.850000D-04
2.128680D+01           3.692300D-02
1.003960D+01          -2.353240D-01
3.451800D+00           3.414830D-01
1.974560D+00           5.347880D-01
1.024200D+00           2.651410D-01
4.494370D-01           2.578700D-02
1.866480D-01           5.220000D-04
7.348100D-02           6.060000D-04
P    1   1.00
5.981000D-01           1.000000D+00
P    9   1.00
1.889880D+02          -2.560000D-04
2.128680D+01          -1.168200D-02
1.003960D+01           8.319200D-02
3.451800D+00          -1.569700D-01
1.974560D+00          -2.245180D-01
1.024200D+00          -1.144510D-01
4.494370D-01           3.753560D-01
1.866480D-01           5.751360D-01
7.348100D-02           2.459170D-01
P    1   1.00
9.618000D-02           1.000000D+00
D    9   1.00
1.326620D+02           5.720000D-04
3.760540D+01           4.402000D-03
1.038910D+01          -4.092200D-02
6.490170D+00           9.966100D-02
3.454510D+00           3.226630D-01
1.844130D+00           4.003430D-01
9.624780D-01           2.683060D-01
4.728530D-01           8.484700D-02
1.932000D-01           7.632000D-03
D    1   1.00
4.728530D-01           1.000000D+00
D    1   1.00
1.932000D-01           1.000000D+00
F    1   1.00
4.064000D-01           1.000000D+00
****

I     0
I-ECP     4     28
g potential
1
2      1.00000000             0.00000000
s-g potential
3
2     40.03337600            49.98964900
2     17.30057600           281.00655600
2      8.85172000            61.41673900
p-g potential
4
2     15.72014100            67.41623900
2     15.20822200           134.80769600
2      8.29418600            14.56654800
2      7.75394900            28.96842200
d-g potential
4
2     13.81775100            35.53875600
2     13.58780500            53.33975900
2      6.94763000             9.71646600
2      6.96009900            14.97750000
f-g potential
4
2     18.52295000           -20.17661800
2     18.25103500           -26.08807700
2      7.55790100            -0.22043400
2      7.59740400            -0.22164600

