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	hartrees
Energy at 0K	-244.348273
Energy at 298.15K
HF Energy	-243.723432
Nuclear repulsion energy	126.545521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3293	3047	2.38
2	A'	3193	2954	1.30
3	A'	1582	1464	92.87
4	A'	1552	1436	18.59
5	A'	1502	1390	3.11
6	A'	1213	1122	1.40
7	A'	1015	939	7.60
8	A'	722	668	32.77
9	A'	657	608	8.97
10	A"	3323	3075	0.70
11	A"	1820	1684	411.51
12	A"	1543	1428	34.99
13	A"	1183	1095	16.59
14	A"	515	477	0.91
15	A"	31	28	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.309	0.000
N2	-0.013	0.175	0.000
H3	1.043	-1.609	0.000
H4	-0.492	-1.647	0.900
H5	-0.492	-1.647	-0.900
O6	0.001	0.721	-1.071
O7	0.001	0.721	1.071

	C1	N2	H3	H4	H5	O6	O7
C1		1.4834	1.0844	1.0806	1.0806	2.2946	2.2946
N2	1.4834		2.0732	2.0876	2.0876	1.2019	1.2019
H3	1.0844	2.0732		1.7797	1.7797	2.7679	2.7679
H4	1.0806	2.0876	1.7797		1.8001	3.1199	2.4248
H5	1.0806	2.0876	1.7797	1.8001		2.4248	3.1199
O6	2.2946	1.2019	2.7679	3.1199	2.4248		2.1410
O7	2.2946	1.2019	2.7679	2.4248	3.1199	2.1410

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.022	C1	N2	O7	117.022
N2	C1	H3	106.653	N2	C1	H4	107.983
N2	C1	H5	107.983	H3	C1	H4	110.583
H3	C1	H5	110.583	H4	C1	H5	112.796
O6	N2	O7	125.917

All results from a given calculation for CH₃NO₂ (Methane, nitro-)

using model chemistry: CISD/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3NO2 (Methane, nitro-)

using model chemistry: CISD/6-311G*

States and conformations

All results from a given calculation for CH₃NO₂ (Methane, nitro-)