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	hartrees
Energy at 0K	-244.492681
Energy at 298.15K
HF Energy	-243.759379
Nuclear repulsion energy	127.164039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3301	3050	1.28
2	A'	3202	2959	1.11
3	A'	1600	1478	75.72
4	A'	1550	1432	15.81
5	A'	1498	1384	1.32
6	A'	1213	1120	1.00
7	A'	1021	944	4.55
8	A'	724	669	30.38
9	A'	668	617	7.33
10	A"	3332	3079	0.02
11	A"	1807	1669	505.16
12	A"	1543	1426	37.66
13	A"	1180	1090	17.66
14	A"	513	474	1.44
15	A"	21i	19i	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	-1.304	0.000
N2	-0.010	0.173	0.000
H3	1.037	-1.603	0.000
H4	-0.489	-1.640	0.897
H5	-0.489	-1.640	-0.897
O6	0.000	0.718	-1.064
O7	0.000	0.718	1.064

	C1	N2	H3	H4	H5	O6	O7
C1		1.4766	1.0795	1.0758	1.0758	2.2848	2.2848
N2	1.4766		2.0617	2.0786	2.0786	1.1958	1.1958
H3	1.0795	2.0617		1.7709	1.7709	2.7562	2.7562
H4	1.0758	2.0786	1.7709		1.7944	3.1058	2.4139
H5	1.0758	2.0786	1.7709	1.7944		2.4139	3.1058
O6	2.2848	1.1958	2.7562	3.1058	2.4139		2.1284
O7	2.2848	1.1958	2.7562	2.4139	3.1058	2.1284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.122	C1	N2	O7	117.122
N2	C1	H3	106.493	N2	C1	H4	108.018
N2	C1	H5	108.018	H3	C1	H4	110.505
H3	C1	H5	110.505	H4	C1	H5	113.025
O6	N2	O7	125.737

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

using model chemistry: CID/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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