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	hartrees
Energy at 0K	-244.621116
Energy at 298.15K
HF Energy	-243.755113
Nuclear repulsion energy	124.892405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3066	1.30
2	A'	3122	2964	1.41
3	A'	1499	1424	10.96
4	A'	1426	1354	31.47
5	A'	1418	1346	30.49
6	A'	1148	1090	0.32
7	A'	947	900	6.75
8	A'	678	644	24.75
9	A'	610	579	3.30
10	A"	3256	3092	0.01
11	A"	1774	1685	132.75
12	A"	1489	1414	21.80
13	A"	1124	1067	3.11
14	A"	482	457	0.58
15	A"	24	23	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.315	0.000
N2	-0.010	0.169	0.000
H3	1.041	-1.624	0.000
H4	-0.493	-1.653	0.901
H5	-0.493	-1.653	-0.901
O6	0.001	0.727	-1.093
O7	0.001	0.727	1.093

	C1	N2	H3	H4	H5	O6	O7
C1		1.4839	1.0854	1.0823	1.0823	2.3165	2.3165
N2	1.4839		2.0785	2.0896	2.0896	1.2274	1.2274
H3	1.0854	2.0785		1.7801	1.7801	2.7941	2.7941
H4	1.0823	2.0896	1.7801		1.8030	3.1448	2.4390
H5	1.0823	2.0896	1.7801	1.8030		2.4390	3.1448
O6	2.3165	1.2274	2.7941	3.1448	2.4390		2.1857
O7	2.3165	1.2274	2.7941	2.4390	3.1448	2.1857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.067	C1	N2	O7	117.067
N2	C1	H3	106.972	N2	C1	H4	108.008
N2	C1	H5	108.008	H3	C1	H4	110.411
H3	C1	H5	110.411	H4	C1	H5	112.801
O6	N2	O7	125.844

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

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

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