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

ts-sna-cyccyc_sp

0 2
 Br	 1.443395000	-0.687699000	 0.098211000
 C	 0.386544000	 2.686350000	 0.699897000
 C	-0.321274000	 1.665380000	 1.613468000
 C	-0.859395000	 0.476720000	 0.870894000
 C	-1.509384000	 0.694592000	-0.464628000
 C	-0.778732000	 1.735507000	-1.336993000
 H	 1.352449000	 2.272702000	 0.390527000
 H	 0.323114000	 1.340927000	 2.434830000
 H	-1.633089000	-0.257613000	-0.987260000
 H	-1.407845000	 1.971577000	-2.203633000
 H	-2.519647000	 1.085558000	-0.270469000
 H	 0.149950000	 1.291995000	-1.711995000
 H	 0.584835000	 3.596990000	 1.277830000
 H	-1.182955000	 2.177865000	 2.067463000
 C	-3.619435000	-0.498846000	 4.490174000
 C	-2.417963000	-0.070312000	 3.598321000
 C	-2.909839000	 0.138031000	 2.203175000
 C	-3.586189000	-1.028666000	 1.560316000
 C	-4.788846000	-1.457722000	 2.450480000
 H	-4.323702000	 0.340319000	 4.570242000
 H	-1.944545000	 0.830805000	 4.001249000
 H	-3.925130000	-0.793576000	 0.546270000
 H	-5.253693000	-2.352539000	 2.017999000
 H	-2.889811000	-1.877739000	 1.498631000
 H	-5.545260000	-0.661288000	 2.439153000
 H	-3.255464000	-0.714505000	 5.502510000
 H	-1.675940000	-0.881973000	 3.616206000
 H	-3.259092000	 1.133868000	 1.934981000
 H	-0.872453000	-0.496262000	 1.332623000
 C	-0.457078000	 3.007188000	-0.540918000
 H	 0.075684000	 3.722947000	-1.179807000
 H	-1.394430000	 3.492902000	-0.231294000
 C	-4.336842000	-1.718352000	 3.894286000
 H	-5.202630000	-1.982867000	 4.514921000
 H	-3.656173000	-2.581873000	 3.909890000

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

