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	hartrees
Energy at 0K	-244.409822
Energy at 298.15K
HF Energy	-243.667985
Nuclear repulsion energy	123.751847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3243	3112
2	A'	3135	3008
3	A'	1516	1455
4	A'	1451	1393
5	A'	1412	1354
6	A'	1154	1108
7	A'	921	884
8	A'	655	629
9	A'	587	564
10	A"	3270	3138
11	A"	1621	1555
12	A"	1507	1446
13	A"	1132	1086
14	A"	476	457
15	A"	44	42

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.330	0.000
N2	-0.012	0.168	0.000
H3	1.047	-1.633	0.000
H4	-0.497	-1.662	0.905
H5	-0.497	-1.662	-0.905
O6	0.002	0.735	-1.103
O7	0.002	0.735	1.103

	C1	N2	H3	H4	H5	O6	O7
C1		1.4981	1.0886	1.0855	1.0855	2.3411	2.3411
N2	1.4981		2.0898	2.0986	2.0986	1.2403	1.2403
H3	1.0886	2.0898		1.7903	1.7903	2.8138	2.8138
H4	1.0855	2.0986	1.7903		1.8099	3.1666	2.4564
H5	1.0855	2.0986	1.7903	1.8099		2.4564	3.1666
O6	2.3411	1.2403	2.8138	3.1666	2.4564		2.2064
O7	2.3411	1.2403	2.8138	2.4564	3.1666	2.2064

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.183	C1	N2	O7	117.183
N2	C1	H3	106.705	N2	C1	H4	107.561
N2	C1	H5	107.561	H3	C1	H4	110.871
H3	C1	H5	110.871	H4	C1	H5	112.959
O6	N2	O7	125.600

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

using model chemistry: CCSD(T)/6-31+G**

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: CCSD(T)/6-31+G**

States and conformations

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