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	hartrees
Energy at 0K	-244.530920
Energy at 298.15K
HF Energy	-243.688977
Nuclear repulsion energy	126.287657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3267	3267	0.69
2	A'	3165	3165	0.42
3	A'	1552	1552	69.26
4	A'	1516	1516	16.44
5	A'	1459	1459	3.38
6	A'	1184	1184	1.52
7	A'	998	998	6.46
8	A'	708	708	29.21
9	A'	646	646	5.72
10	A"	3295	3295	0.00
11	A"	1829	1829	325.95
12	A"	1510	1510	28.66
13	A"	1155	1155	9.82
14	A"	499	499	0.95
15	A"	32i	32i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.306	0.000
N2	-0.010	0.172	0.000
H3	1.042	-1.614	0.000
H4	-0.493	-1.645	0.902
H5	-0.493	-1.645	-0.902
O6	0.001	0.721	-1.075
O7	0.001	0.721	1.075

	C1	N2	H3	H4	H5	O6	O7
C1		1.4780	1.0860	1.0827	1.0827	2.2943	2.2943
N2	1.4780		2.0732	2.0854	2.0854	1.2074	1.2074
H3	1.0860	2.0732		1.7807	1.7807	2.7735	2.7735
H4	1.0827	2.0854	1.7807		1.8038	3.1227	2.4231
H5	1.0827	2.0854	1.7807	1.8038		2.4231	3.1227
O6	2.2943	1.2074	2.7735	3.1227	2.4231		2.1509
O7	2.2943	1.2074	2.7735	2.4231	3.1227	2.1509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.024	C1	N2	O7	117.024
N2	C1	H3	106.919	N2	C1	H4	108.058
N2	C1	H5	108.058	H3	C1	H4	110.381
H3	C1	H5	110.381	H4	C1	H5	112.814
O6	N2	O7	125.929

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

using model chemistry: MP3=FULL/6-31G(2df,p)

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: MP3=FULL/6-31G(2df,p)

States and conformations

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