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	hartrees
Energy at 0K	-244.336995
Energy at 298.15K
HF Energy	-243.658661
Nuclear repulsion energy	125.247521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3253	3052	1.05
2	A'	3154	2959	0.68
3	A'	1544	1448	52.62
4	A'	1528	1434	33.26
5	A'	1475	1384	4.74
6	A'	1185	1112	1.19
7	A'	989	928	5.81
8	A'	698	655	32.17
9	A'	628	589	6.78
10	A"	3283	3080	0.13
11	A"	1823	1710	298.52
12	A"	1527	1433	27.35
13	A"	1159	1088	11.48
14	A"	500	469	0.91
15	A"	41	38	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.314	0.000
N2	-0.014	0.169	0.000
H3	1.048	-1.622	0.000
H4	-0.496	-1.652	0.905
H5	-0.496	-1.652	-0.905
O6	0.002	0.727	-1.086
O7	0.002	0.727	1.086

	C1	N2	H3	H4	H5	O6	O7
C1		1.4831	1.0908	1.0872	1.0872	2.3122	2.3122
N2	1.4831		2.0821	2.0897	2.0897	1.2211	1.2211
H3	1.0908	2.0821		1.7907	1.7907	2.7917	2.7917
H4	1.0872	2.0897	1.7907		1.8109	3.1420	2.4371
H5	1.0872	2.0897	1.7907	1.8109		2.4371	3.1420
O6	2.3122	1.2211	2.7917	3.1420	2.4371		2.1718
O7	2.3122	1.2211	2.7917	2.4371	3.1420	2.1718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.199	C1	N2	O7	117.199
N2	C1	H3	106.998	N2	C1	H4	107.794
N2	C1	H5	107.794	H3	C1	H4	110.608
H3	C1	H5	110.608	H4	C1	H5	112.788
O6	N2	O7	125.560

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

using model chemistry: MP3=FULL/6-31G*

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/6-31G*

States and conformations

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