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	hartrees
Energy at 0K	-242.749628
Energy at 298.15K
HF Energy	-242.246721
Nuclear repulsion energy	119.630878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3077	3.05
2	A'	3137	2984	2.05
3	A'	1583	1506	10.64
4	A'	1462	1391	1.81
5	A'	1242	1181	30.67
6	A'	1166	1110	0.52
7	A'	830	789	3.13
8	A'	603	574	26.43
9	A'	525	499	2.60
10	A"	3259	3100	0.29
11	A"	1773	1687	5.46
12	A"	1577	1500	10.72
13	A"	1137	1082	0.18
14	A"	424	403	0.43
15	A"	28	26	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.004	-1.355	0.000
N2	-0.016	0.164	0.000
H3	1.046	-1.674	0.000
H4	-0.507	-1.672	0.905
H5	-0.507	-1.672	-0.905
O6	0.004	0.750	-1.164
O7	0.004	0.750	1.164

	C1	N2	H3	H4	H5	O6	O7
C1		1.5187	1.0902	1.0872	1.0872	2.4056	2.4056
N2	1.5187		2.1226	2.1053	2.1053	1.3035	1.3035
H3	1.0902	2.1226		1.7983	1.7983	2.8842	2.8842
H4	1.0872	2.1053	1.7983		1.8110	3.2269	2.4895
H5	1.0872	2.1053	1.7983	1.8110		2.4895	3.2269
O6	2.4056	1.3035	2.8842	3.2269	2.4895		2.3276
O7	2.4056	1.3035	2.8842	2.4895	3.2269	2.3276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.736	C1	N2	O7	116.736
N2	C1	H3	107.761	N2	C1	H4	106.607
N2	C1	H5	106.607	H3	C1	H4	111.357
H3	C1	H5	111.357	H4	C1	H5	112.792
O6	N2	O7	126.465

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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