%chk=BnNH2.chk %nprocshared=4 %mem=6GB #p opt=(noeigentest) iop(1/8=10) freq=noraman b97d3/6-311G** nosymm scrf=(smd,solvent=butanone) IC 0 1 C -0.80928000 0.66273900 -0.05207300 C 0.58929800 0.67682000 -0.03011200 C 1.29955300 1.89002000 0.03203600 C 0.57520700 3.09136300 0.08242600 C -0.82921500 3.08058500 0.07155400 C -1.52270300 1.86677100 -0.00352100 H -1.34424000 -0.28629900 -0.10270100 H 1.13708800 -0.26463600 -0.05812400 H 1.11875600 4.03102900 0.14172700 H -1.37249300 4.02337000 0.11456000 H -2.61611200 1.86037300 -0.01219400 C 2.81745900 1.87173600 0.01422500 H 3.15696500 1.66161000 -1.02683000 H 3.16212300 1.00315600 0.63290900 N 3.40753400 3.17039900 0.42415300 H 3.24212400 3.30954400 1.43450500 H 4.42184400 3.10728800 0.30916800