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	hartrees
Energy at 0K	-242.730729
Energy at 298.15K
HF Energy	-242.252442
Nuclear repulsion energy	121.397516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3215	2.18
2	A'	3127	3127	0.91
3	A'	1573	1573	12.14
4	A'	1471	1471	1.86
5	A'	1281	1281	39.21
6	A'	1172	1172	0.22
7	A'	870	870	1.44
8	A'	623	623	31.58
9	A'	540	540	4.16
10	A"	3246	3246	0.24
11	A"	1600	1600	15.26
12	A"	1536	1536	88.63
13	A"	1130	1130	14.52
14	A"	441	441	0.53
15	A"	37	37	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	-1.343	0.000
N2	-0.015	0.164	0.000
H3	1.048	-1.661	0.000
H4	-0.506	-1.664	0.906
H5	-0.506	-1.664	-0.906
O6	0.003	0.744	-1.137
O7	0.003	0.744	1.137

	C1	N2	H3	H4	H5	O6	O7
C1		1.5071	1.0918	1.0878	1.0878	2.3763	2.3763
N2	1.5071		2.1114	2.0984	2.0984	1.2764	1.2764
H3	1.0918	2.1114		1.7988	1.7988	2.8572	2.8572
H4	1.0878	2.0984	1.7988		1.8121	3.1983	2.4714
H5	1.0878	2.0984	1.7988	1.8121		2.4714	3.1983
O6	2.3763	1.2764	2.8572	3.1983	2.4714		2.2743
O7	2.3763	1.2764	2.8572	2.4714	3.1983	2.2743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.987	C1	N2	O7	116.987
N2	C1	H3	107.595	N2	C1	H4	106.813
N2	C1	H5	106.813	H3	C1	H4	111.239
H3	C1	H5	111.239	H4	C1	H5	112.801
O6	N2	O7	125.972

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

using model chemistry: MP3=FULL/3-21G*

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: MP3=FULL/3-21G*

States and conformations

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