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

Cat_N_t_v3_SP

0 3
 N	 2.488498000	 0.780326000	-0.645310000
 N	 1.416765000	 1.619941000	-0.703605000
 N	 1.920848000	-0.396347000	 1.521112000
 N	 0.739637000	 0.220638000	 1.809995000
 N	 1.251749000	-1.421508000	-0.691212000
 N	-0.021699000	-0.939660000	-0.776070000
 C	 1.805276000	 2.714624000	-1.351510000
 C	 3.156223000	 2.611989000	-1.733696000
 C	 3.546676000	 1.360149000	-1.260279000
 C	 0.628088000	 0.263408000	 3.134711000
 C	 1.748355000	-0.330421000	 3.746540000
 C	 2.544138000	-0.733943000	 2.675609000
 C	-0.742873000	-1.839355000	-1.439288000
 C	 0.054259000	-2.940088000	-1.806998000
 C	 1.317036000	-2.625931000	-1.308178000
 B	 2.350943000	-0.605483000	 0.042859000
 H	 3.381138000	-1.182483000	-0.000448000
 N	-1.967144000	 1.832328000	 0.272080000
 S	-3.477331000	 2.454786000	 0.595906000
 O	-3.526743000	 2.731187000	 2.040017000
 O	-3.727777000	 3.538316000	-0.365709000
 C	-4.492017000	 1.055903000	 0.210191000
 C	-5.052482000	 0.945953000	-1.066850000
 C	-4.649903000	 0.048227000	 1.171874000
 C	-5.791248000	-0.193302000	-1.375525000
 H	-4.913073000	 1.735969000	-1.796712000
 C	-5.389126000	-1.080279000	 0.841461000
 H	-4.204483000	 0.153235000	 2.155264000
 C	-5.967399000	-1.222174000	-0.433096000
 H	-6.238923000	-0.287849000	-2.360675000
 H	-5.518922000	-1.868235000	 1.577640000
 Cu	-0.394301000	 0.945937000	 0.162413000
 C	-6.772429000	-2.448192000	-0.771321000
 H	-7.796266000	-2.350751000	-0.388441000
 H	-6.836521000	-2.601961000	-1.851965000
 H	-6.341083000	-3.344245000	-0.314580000
 Br	-0.879559000	 1.047260000	 3.947298000
 Br	 2.093580000	-0.534317000	 5.585765000
 Br	 4.214640000	-1.597313000	 2.743824000
 Br	 0.607382000	 4.137652000	-1.653764000
 Br	 4.196478000	 3.872673000	-2.667446000
 Br	 5.235965000	 0.545658000	-1.411157000
 Br	-2.578878000	-1.558251000	-1.757119000
 Br	-0.465275000	-4.482961000	-2.752748000
 Br	 2.891171000	-3.650371000	-1.431587000

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

-Cu 0
def2

