%nprocshared=12
%mem=20GB
#p B3LYP gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRF=(SMD,solvent=dichloromethane) int=grid=ultrafine

Cat_NH_d_v4_SP

0 2
 N	 1.733477000	-0.883576000	 1.323531000
 N	 0.394559000	-0.621452000	 1.344444000
 N	 2.139850000	-1.087593000	-1.161198000
 N	 0.844487000	-0.942340000	-1.556786000
 N	 2.475367000	 1.134661000	-0.013768000
 N	 1.252344000	 1.695216000	-0.240314000
 C	-0.107343000	-1.200864000	 2.435565000
 C	 0.905980000	-1.860074000	 3.153862000
 C	 2.058917000	-1.629132000	 2.405627000
 C	 0.716657000	-1.599697000	-2.701240000
 C	 1.934990000	-2.193899000	-3.087439000
 C	 2.814925000	-1.835755000	-2.068691000
 C	 1.441503000	 2.998665000	-0.448184000
 C	 2.809291000	 3.316129000	-0.354380000
 C	 3.425575000	 2.096906000	-0.079773000
 B	 2.621681000	-0.403559000	 0.142879000
 H	 3.750584000	-0.678789000	 0.355668000
 Cu	-0.414610000	 0.460572000	-0.206713000
 S	-3.202390000	 1.920323000	-0.395070000
 O	-2.691926000	 2.412022000	 0.892099000
 O	-3.512000000	 2.876937000	-1.472770000
 C	-4.641776000	 0.909979000	-0.095214000
 C	-4.940632000	 0.513454000	 1.209873000
 C	-5.433781000	 0.507139000	-1.176809000
 C	-6.045821000	-0.306729000	 1.430033000
 H	-4.327048000	 0.862204000	 2.032943000
 C	-6.530173000	-0.314769000	-0.937147000
 H	-5.204931000	 0.843820000	-2.183094000
 C	-6.849510000	-0.740302000	 0.364211000
 H	-6.292003000	-0.609247000	 2.444102000
 H	-7.153772000	-0.628969000	-1.769635000
 N	-2.093041000	 0.798111000	-0.961796000
 H	-2.384457000	 0.475674000	-1.887165000
 C	-8.019831000	-1.660020000	 0.597498000
 H	-8.877242000	-1.376936000	-0.021550000
 H	-7.755128000	-2.691067000	 0.330900000
 H	-8.331716000	-1.657735000	 1.645446000
 Br	-1.938724000	-1.093727000	 2.860385000
 Br	 0.743566000	-2.828923000	 4.758184000
 Br	 3.803667000	-2.225045000	 2.776233000
 Br	-0.945326000	-1.667389000	-3.598239000
 Br	 2.294130000	-3.227982000	-4.619603000
 Br	 4.638303000	-2.275487000	-1.907979000
 Br	 0.006268000	 4.152597000	-0.827300000
 Br	 3.621617000	 5.002078000	-0.551461000
 Br	 5.261066000	 1.767337000	 0.165646000

-C -N -H -B -O -S -Br -Si 0
def2TZVP
****
-Cu 0
def2QZVP
****

-Cu 0
def2

