%nprocshared=8
%mem=20GB
#p opt=(modredundant,maxstep=6) b3lyp gen pseudo=read empiricaldispersion=gd3 nosymm scf=xqc scrf=(smd,solvent=dichloromethane) int=(grid=ultrafine)

rigid_step_000

0 3
 Cu	-0.558192000	-0.384589000	-1.829851000
 N	 1.287042000	-1.057921000	-2.583790000
 N	 2.419127000	-0.597893000	-1.979382000
 N	 0.239644000	 1.579667000	-1.635293000
 N	 1.544006000	 1.673961000	-1.249848000
 N	 0.266552000	-0.736553000	 0.135568000
 N	 1.529952000	-0.275041000	 0.356146000
 B	 2.319703000	 0.403488000	-0.800113000
 C	 1.660595000	-1.947544000	-3.499244000
 C	 3.060482000	-2.093582000	-3.507815000
 C	 3.497937000	-1.211321000	-2.521996000
 C	-0.196053000	 2.813571000	-1.877140000
 C	 0.835611000	 3.750451000	-1.667251000
 C	 1.922470000	 2.975017000	-1.264303000
 C	-0.164954000	-1.271695000	 1.272817000
 C	 0.820144000	-1.170656000	 2.274183000
 C	 1.881888000	-0.527670000	 1.639675000
 H	 3.401338000	 0.704016000	-0.431069000
 N	-2.245191000	-0.757541000	-2.371165000
 S	-3.844272000	-0.830056000	-2.823904000
 O	-4.008172000	-1.994395000	-3.707379000
 O	-4.235942000	 0.505330000	-3.300465000
 C	-4.575325000	-1.156289000	-1.243477000
 C	-4.761608000	-2.481981000	-0.837073000
 C	-4.866427000	-0.079444000	-0.394462000
 C	-5.261799000	-2.725098000	 0.439491000
 H	-4.522935000	-3.300404000	-1.507558000
 C	-5.364810000	-0.345505000	 0.874269000
 H	-4.710042000	 0.940312000	-0.729269000
 C	-5.568373000	-1.666972000	 1.312715000
 H	-5.419855000	-3.749579000	 0.763885000
 H	-5.599337000	 0.479779000	 1.540413000
 C	-6.125780000	-1.932845000	 2.685550000
 H	-5.675799000	-1.268508000	 3.430235000
 H	-7.207198000	-1.747205000	 2.698809000
 H	-5.961229000	-2.968570000	 2.994269000
 Br	-1.892192000	-2.018134000	 1.382327000
 Br	-1.977258000	 3.122375000	-2.395225000
 Br	 0.390076000	-2.825984000	-4.572654000
 Br	 4.099977000	-3.228225000	-4.587699000
 Br	 5.266562000	-0.876022000	-1.981017000
 Br	 3.551063000	-0.058167000	 2.372021000
 Br	 0.725291000	-1.766902000	 4.057749000
 Br	 0.763592000	 5.618786000	-1.885059000
 Br	 3.654476000	 3.560799000	-0.821344000
 H	-0.922477000	 0.637773000	-4.295397000
 Si	-0.385935000	 1.067280000	-5.614136000
 C	-0.821493000	 2.883715000	-5.884203000
 C	-1.140474000	-0.003492000	-6.967573000
 C	 1.493133000	 0.891338000	-5.570547000
 H	-1.904063000	 3.044096000	-5.832581000
 H	-0.350822000	 3.524227000	-5.130937000
 H	-0.475038000	 3.216790000	-6.869956000
 H	-0.886609000	-1.060319000	-6.837229000
 H	-2.233372000	 0.080573000	-6.948479000
 H	-0.798747000	 0.307990000	-7.961401000
 C	 2.243771000	 1.633467000	-4.638692000
 C	 2.196161000	 0.057984000	-6.458265000
 C	 3.635506000	 1.543800000	-4.587379000
 H	 1.736210000	 2.298123000	-3.945713000
 C	 3.591031000	-0.030030000	-6.419546000
 H	 1.653522000	-0.531737000	-7.192822000
 C	 4.313428000	 0.710202000	-5.481740000
 H	 4.190865000	 2.122041000	-3.853833000
 H	 4.111995000	-0.679467000	-7.117341000
 H	 5.396683000	 0.636852000	-5.445194000

B 19 46 F

-Cu 0
LANL2DZ
****
-Br 0
LANL2DZ
P 1 1.000
0.03760 1.000
D 1 1.000
0.43400 1.000
****
-C -N -H -B -O -S -Si 0
6-31G(d,p)
****

-Cu -Br 0
LANL2DZ


