%chk=BnNH3.chk %nprocshared=8 %mem=22GB #p opt=(noeigentest) iop(1/8=10) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone) IC 1 1 N 0.27607200 8.82545400 -5.52634000 C -0.01202800 7.43652300 -5.98097700 H -0.22068700 9.50276600 -6.10438000 C 0.79595600 6.44618800 -5.18555500 H -1.08246400 7.25905500 -5.87305900 H 0.24948800 7.38856400 -7.03708800 C 1.89188100 5.81049900 -5.76183600 C 0.48744600 6.19418000 -3.84892400 C 2.67669900 4.94163100 -5.01281300 H 2.13654000 6.00574800 -6.80017500 C 1.27146600 5.32734600 -3.09673400 H -0.36946600 6.68199700 -3.39278200 C 2.37018400 4.70155900 -3.67781900 H 3.53255400 4.45823100 -5.47104500 H 1.02562000 5.13988000 -2.05734500 H 2.98479900 4.02829900 -3.09044200 H -0.04115100 8.96397900 -4.56722600 H 1.26007700 9.00430200 -5.56834200