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

rigid_step_001_SP

0 3
 Cu	-0.538720000	-0.401009000	-1.806242000
 N	 1.315445000	-1.066341000	-2.570222000
 N	 2.445879000	-0.598595000	-1.968921000
 N	 0.241852000	 1.558313000	-1.590764000
 N	 1.551573000	 1.661993000	-1.229027000
 N	 0.301687000	-0.775532000	 0.147075000
 N	 1.556917000	-0.292297000	 0.369096000
 B	 2.340292000	 0.396748000	-0.786413000
 C	 1.692641000	-1.952915000	-3.486765000
 C	 3.093899000	-2.087931000	-3.500637000
 C	 3.528048000	-1.201746000	-2.516901000
 C	-0.209566000	 2.788681000	-1.819774000
 C	 0.817749000	 3.733787000	-1.626945000
 C	 1.918752000	 2.966182000	-1.247237000
 C	-0.130368000	-1.298436000	 1.289633000
 C	 0.845407000	-1.167129000	 2.296489000
 C	 1.902314000	-0.518812000	 1.659206000
 H	 3.419379000	 0.705808000	-0.416909000
 N	-2.205528000	-0.772187000	-2.405056000
 S	-3.801588000	-0.833390000	-2.872357000
 O	-3.966618000	-2.002100000	-3.749866000
 O	-4.184793000	 0.500839000	-3.358468000
 C	-4.543726000	-1.146142000	-1.293695000
 C	-4.711925000	-2.468470000	-0.868520000
 C	-4.868096000	-0.061701000	-0.466666000
 C	-5.227425000	-2.700720000	 0.404026000
 H	-4.448879000	-3.293192000	-1.522043000
 C	-5.381455000	-0.317025000	 0.798267000
 H	-4.728988000	 0.955355000	-0.816459000
 C	-5.568196000	-1.634909000	 1.254663000
 H	-5.372373000	-3.722778000	 0.741799000
 H	-5.643831000	 0.514132000	 1.446521000
 C	-6.143870000	-1.887122000	 2.622648000
 H	-5.686271000	-1.230757000	 3.370136000
 H	-7.220937000	-1.678055000	 2.627386000
 H	-6.002978000	-2.925064000	 2.935548000
 Br	-1.849032000	-2.065401000	 1.396503000
 Br	-2.003725000	 3.076668000	-2.300976000
 Br	 0.425098000	-2.840941000	-4.556315000
 Br	 4.137549000	-3.217093000	-4.582669000
 Br	 5.295949000	-0.846277000	-1.985544000
 Br	 3.558643000	-0.013006000	 2.396350000
 Br	 0.746621000	-1.734940000	 4.088980000
 Br	 0.725010000	 5.601980000	-1.838700000
 Br	 3.654811000	 3.564028000	-0.837589000
 H	-0.926455000	 0.597725000	-4.236024000
 Si	-0.415480000	 1.051689000	-5.557230000
 C	-0.861902000	 2.870037000	-5.793116000
 C	-1.195236000	-0.005513000	-6.907078000
 C	 1.465518000	 0.882349000	-5.557338000
 H	-1.944496000	 3.026620000	-5.733112000
 H	-0.388967000	 3.500445000	-5.032755000
 H	-0.523422000	 3.222506000	-6.774945000
 H	-0.929924000	-1.062127000	-6.798781000
 H	-2.288079000	 0.066610000	-6.857346000
 H	-0.884940000	 0.321596000	-7.906140000
 C	 2.240758000	 1.640689000	-4.658773000
 C	 2.145591000	 0.030972000	-6.446233000
 C	 3.633160000	 1.546798000	-4.638923000
 H	 1.752756000	 2.320439000	-3.965934000
 C	 3.540620000	-0.060981000	-6.439169000
 H	 1.584656000	-0.570647000	-7.156814000
 C	 4.287303000	 0.693761000	-5.532486000
 H	 4.207728000	 2.137856000	-3.930933000
 H	 4.042727000	-0.725300000	-7.136711000
 H	 5.370893000	 0.617149000	-5.519751000

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

-Cu 0
def2


