6 Nitromethyl,^2B_1,CC3,aug-cc-pVTZ C 0.00000000 0.00000000 -1.36748442 N 0.00000000 0.00000000 0.04599858 O 0.00000000 -1.09389200 0.60907358 O 0.00000000 1.09389200 0.60907358 H 0.00000000 0.96128400 -1.84479843 H 0.00000000 -0.96128400 -1.84479843