%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 -0.79212300 0.67104500 -0.01237500 C 0.59758700 0.69306600 -0.01864100 C 1.29553900 1.90226300 0.00058500 C 0.56820300 3.09134900 0.03704700 C -0.82340300 3.07237100 0.04902800 C -1.50928400 1.86338300 0.02171600 H -1.31616800 -0.27877400 -0.02789000 H 1.14989400 -0.24230600 -0.03589300 H 1.10254100 4.03410400 0.06349800 H -1.37210500 4.00794100 0.08042800 H -2.59389100 1.84866400 0.03224200 C 2.80942000 1.89813400 -0.04949800 H 3.11813900 1.82782000 -1.09878900 H 3.16787700 0.98080000 0.43886300 N 3.39192400 3.11780500 0.50353900 H 3.26099800 3.12821600 1.51045300 H 4.39375800 3.10998600 0.34739300