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	hartrees
Energy at 0K	-243.947818
Energy at 298.15K
HF Energy	-243.523862
Nuclear repulsion energy	123.270115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3265	3053	1.50
2	A'	3164	2959	0.74
3	A'	1567	1466	15.41
4	A'	1523	1425	0.20
5	A'	1430	1337	57.40
6	A'	1218	1139	0.44
7	A'	941	880	2.29
8	A'	681	637	36.03
9	A'	618	578	6.54
10	A"	3295	3082	0.04
11	A"	1659	1551	217.59
12	A"	1561	1460	73.57
13	A"	1178	1102	28.06
14	A"	498	466	0.84
15	A"	39	36	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.332	0.000
N2	-0.012	0.162	0.000
H3	1.044	-1.651	0.000
H4	-0.502	-1.663	0.903
H5	-0.502	-1.663	-0.903
O6	0.002	0.740	-1.108
O7	0.002	0.740	1.108

	C1	N2	H3	H4	H5	O6	O7
C1		1.4936	1.0901	1.0861	1.0861	2.3487	2.3487
N2	1.4936		2.0982	2.0945	2.0945	1.2494	1.2494
H3	1.0901	2.0982		1.7909	1.7909	2.8331	2.8331
H4	1.0861	2.0945	1.7909		1.8057	3.1736	2.4639
H5	1.0861	2.0945	1.7909	1.8057		2.4639	3.1736
O6	2.3487	1.2494	2.8331	3.1736	2.4639		2.2157
O7	2.3487	1.2494	2.8331	2.4639	3.1736	2.2157

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.525	C1	N2	O7	117.525
N2	C1	H3	107.582	N2	C1	H4	107.521
N2	C1	H5	107.521	H3	C1	H4	110.763
H3	C1	H5	110.763	H4	C1	H5	112.461
O6	N2	O7	124.913

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

using model chemistry: CID/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: CID/6-31G

States and conformations

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