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	hartrees
Energy at 0K	-244.324223
Energy at 298.15K
HF Energy	-243.658458
Nuclear repulsion energy	125.152867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3252	3052	1.09
2	A'	3153	2959	0.71
3	A'	1542	1447	49.70
4	A'	1527	1433	35.84
5	A'	1473	1383	4.51
6	A'	1183	1111	1.13
7	A'	987	926	5.72
8	A'	697	654	32.23
9	A'	626	588	6.71
10	A"	3282	3080	0.14
11	A"	1820	1708	297.30
12	A"	1526	1432	27.11
13	A"	1158	1087	11.67
14	A"	499	468	0.92
15	A"	42	40	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.316	0.000
N2	-0.014	0.169	0.000
H3	1.049	-1.624	0.000
H4	-0.497	-1.653	0.906
H5	-0.497	-1.653	-0.906
O6	0.002	0.728	-1.087
O7	0.002	0.728	1.087

	C1	N2	H3	H4	H5	O6	O7
C1		1.4848	1.0911	1.0875	1.0875	2.3145	2.3145
N2	1.4848		2.0836	2.0910	2.0910	1.2220	1.2220
H3	1.0911	2.0836		1.7915	1.7915	2.7938	2.7938
H4	1.0875	2.0910	1.7915		1.8117	3.1440	2.4388
H5	1.0875	2.0910	1.7915	1.8117		2.4388	3.1440
O6	2.3145	1.2220	2.7938	3.1440	2.4388		2.1731
O7	2.3145	1.2220	2.7938	2.4388	3.1440	2.1731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.207	C1	N2	O7	117.207
N2	C1	H3	106.982	N2	C1	H4	107.758
N2	C1	H5	107.758	H3	C1	H4	110.638
H3	C1	H5	110.638	H4	C1	H5	112.810
O6	N2	O7	125.544

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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