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

prod-hetero-biph-cyc_sp

0 1
 C	-4.458909000	-1.452136000	 0.742509000
 C	-3.038622000	-0.992201000	 0.382159000
 C	-2.838034000	 0.513747000	 0.668053000
 C	-3.912115000	 1.343560000	-0.071805000
 C	-5.331801000	 0.881302000	 0.288301000
 H	-4.605667000	-1.351699000	 1.828294000
 H	-2.294014000	-1.575168000	 0.939680000
 H	-3.783740000	 2.407549000	 0.166029000
 H	-6.070256000	 1.469682000	-0.272006000
 H	-3.761434000	 1.240527000	-1.155877000
 H	-5.514836000	 1.077012000	 1.355419000
 H	-4.579238000	-2.517202000	 0.504639000
 H	-2.856160000	-1.182389000	-0.685097000
 H	-2.994067000	 0.664894000	 1.746141000
 C	-1.430867000	 0.974506000	 0.337782000
 C	-0.583218000	 1.479510000	 1.333443000
 C	-0.927662000	 0.909826000	-0.972077000
 C	 0.713024000	 1.903546000	 1.039196000
 H	-0.946223000	 1.550120000	 2.356648000
 C	 0.366264000	 1.330737000	-1.271494000
 H	-1.552266000	 0.516306000	-1.769961000
 C	 1.216367000	 1.837354000	-0.271125000
 H	 1.332384000	 2.311032000	 1.833785000
 H	 0.730090000	 1.243911000	-2.291793000
 C	-5.520332000	-0.617340000	 0.011350000
 H	-6.527836000	-0.936285000	 0.309059000
 H	-5.437107000	-0.796889000	-1.071100000
 C	 2.596211000	 2.285963000	-0.589501000
 C	 2.885428000	 2.928251000	-1.807737000
 C	 3.651052000	 2.081596000	 0.319250000
 C	 4.181802000	 3.349892000	-2.106590000
 H	 2.084453000	 3.118225000	-2.516883000
 C	 4.946857000	 2.505801000	 0.021602000
 H	 3.458834000	 1.566970000	 1.256758000
 C	 5.219044000	 3.141945000	-1.192945000
 H	 4.379446000	 3.850071000	-3.051358000
 H	 5.746629000	 2.331244000	 0.736913000
 H	 6.228393000	 3.471311000	-1.425134000

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

