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	hartrees
Energy at 0K	-244.368983
Energy at 298.15K
HF Energy	-243.658916
Nuclear repulsion energy	124.099143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3292	3076	1.59
2	A'	3174	2966	1.78
3	A'	1540	1439	9.36
4	A'	1464	1368	0.41
5	A'	1438	1344	58.39
6	A'	1170	1093	0.21
7	A'	946	884	5.98
8	A'	673	629	27.55
9	A'	602	562	4.24
10	A"	3316	3098	0.23
11	A"	1818	1699	85.43
12	A"	1532	1432	17.50
13	A"	1151	1075	2.70
14	A"	484	452	0.42
15	A"	40	37	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.319	0.000
N2	-0.014	0.166	0.000
H3	1.042	-1.627	0.000
H4	-0.495	-1.655	0.901
H5	-0.495	-1.655	-0.901
O6	0.002	0.731	-1.104
O7	0.002	0.731	1.104

	C1	N2	H3	H4	H5	O6	O7
C1		1.4853	1.0849	1.0821	1.0821	2.3281	2.3281
N2	1.4853		2.0814	2.0877	2.0877	1.2400	1.2400
H3	1.0849	2.0814		1.7820	1.7820	2.8035	2.8035
H4	1.0821	2.0877	1.7820		1.8011	3.1554	2.4454
H5	1.0821	2.0877	1.7820	1.8011		2.4454	3.1554
O6	2.3281	1.2400	2.8035	3.1554	2.4454		2.2077
O7	2.3281	1.2400	2.8035	2.4454	3.1554	2.2077

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.074	C1	N2	O7	117.074
N2	C1	H3	107.123	N2	C1	H4	107.776
N2	C1	H5	107.776	H3	C1	H4	110.637
H3	C1	H5	110.637	H4	C1	H5	112.652
O6	N2	O7	125.805

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

using model chemistry: MP2=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: MP2=FULL/6-31G**

States and conformations

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