%nprocshared=12
%mem=20GB
#p b3lyp gen EmpiricalDispersion=GD3 scrf=(smd,solvent=n,n-dimethylacetamide) scf=xqc nosymm integral(ultrafine)

bromo-cyclohexane_sp

0 1
 C	-3.972301000	 0.022135000	-0.019201000
 C	-2.727285000	-0.615306000	 0.616887000
 C	-1.437996000	-0.087030000	-0.026961000
 C	-1.362293000	 1.431170000	-0.065285000
 C	-2.623184000	 2.089165000	-0.603243000
 C	-3.909609000	 1.556127000	 0.042337000
 H	-4.042191000	-0.294111000	-1.070488000
 H	-2.711181000	-0.395490000	 1.692388000
 H	-0.547306000	-0.505765000	 0.452273000
 H	-2.553887000	 3.178771000	-0.523595000
 H	-4.777486000	 1.995902000	-0.463856000
 H	-2.632898000	 1.849393000	-1.678676000
 H	-3.951435000	 1.883439000	 1.089410000
 H	-4.878958000	-0.338858000	 0.482430000
 H	-2.761197000	-1.706811000	 0.515343000
 H	-1.407440000	-0.400264000	-1.082933000
 H	-0.464861000	 1.785896000	-0.571148000
 Br	-0.994171000	 2.147014000	 1.880991000

-Br -N -C -H -O 0
cc-pVTZ
****

