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

rigid_step_006_SP

0 3
 Cu	-0.394887000	-0.276778000	-1.782531000
 N	 1.453098000	-1.059754000	-2.444786000
 N	 2.583607000	-0.604727000	-1.834986000
 N	 0.443164000	 1.649284000	-1.481882000
 N	 1.756251000	 1.687432000	-1.118339000
 N	 0.362183000	-0.702572000	 0.219547000
 N	 1.630241000	-0.269789000	 0.475806000
 B	 2.475851000	 0.389831000	-0.652371000
 C	 1.824000000	-1.981066000	-3.329213000
 C	 3.222544000	-2.142824000	-3.320805000
 C	 3.660855000	-1.242627000	-2.352163000
 C	 0.056018000	 2.903330000	-1.707918000
 C	 1.130057000	 3.793904000	-1.513270000
 C	 2.190472000	 2.970170000	-1.137023000
 C	-0.118284000	-1.210270000	 1.348776000
 C	 0.835032000	-1.119463000	 2.381765000
 C	 1.932967000	-0.513024000	 1.774429000
 H	 3.554006000	 0.654868000	-0.247459000
 N	-2.032711000	-0.483903000	-2.532194000
 S	-3.629255000	-0.473683000	-3.012177000
 O	-3.804023000	-1.545435000	-4.005049000
 O	-4.019720000	 0.901535000	-3.356716000
 C	-4.370586000	-0.941502000	-1.467790000
 C	-4.546049000	-2.297638000	-1.176814000
 C	-4.700919000	 0.057461000	-0.541371000
 C	-5.076047000	-2.652711000	 0.061817000
 H	-4.279609000	-3.054892000	-1.906212000
 C	-5.227424000	-0.319397000	 0.687158000
 H	-4.554647000	 1.103426000	-0.788257000
 C	-5.421380000	-1.675552000	 1.010126000
 H	-5.226633000	-3.702601000	 0.295805000
 H	-5.493066000	 0.445050000	 1.411881000
 C	-5.994754000	-2.057636000	 2.349166000
 H	-5.442985000	-1.575304000	 3.163587000
 H	-7.037005000	-1.726634000	 2.430733000
 H	-5.969367000	-3.138866000	 2.507047000
 Br	-1.867884000	-1.911698000	 1.408555000
 Br	-1.713588000	 3.295825000	-2.211710000
 Br	 0.551538000	-2.897293000	-4.367672000
 Br	 4.260722000	-3.299390000	-4.379286000
 Br	 5.429454000	-0.897962000	-1.813655000
 Br	 3.589171000	-0.079306000	 2.558021000
 Br	 0.665155000	-1.684143000	 4.170141000
 Br	 1.136074000	 5.664309000	-1.724207000
 Br	 3.957182000	 3.476435000	-0.735343000
 H	-1.227947000	 0.546787000	-4.201033000
 Si	-0.736318000	 0.933439000	-5.563026000
 C	-1.283459000	 2.702048000	-5.916965000
 C	-1.469415000	-0.275083000	-6.805782000
 C	 1.147422000	 0.827164000	-5.526752000
 H	-2.367333000	 2.806140000	-5.795006000
 H	-0.799166000	 3.415029000	-5.242260000
 H	-1.027753000	 2.984425000	-6.945277000
 H	-1.179004000	-1.306196000	-6.579371000
 H	-2.563806000	-0.227284000	-6.778281000
 H	-1.150956000	-0.046892000	-7.829449000
 C	 1.888434000	 1.647817000	-4.654085000
 C	 1.861757000	-0.066978000	-6.344810000
 C	 3.280590000	 1.571137000	-4.588794000
 H	 1.376463000	 2.359127000	-4.012423000
 C	 3.256503000	-0.141322000	-6.293276000
 H	 1.327367000	-0.718886000	-7.030929000
 C	 3.968723000	 0.673745000	-5.410629000
 H	 3.827785000	 2.209598000	-3.900401000
 H	 3.785458000	-0.839106000	-6.936125000
 H	 5.052137000	 0.609565000	-5.361733000

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

-Cu 0
def2


