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	hartrees
Energy at 0K	-244.611611
Energy at 298.15K
HF Energy	-243.757968
Nuclear repulsion energy	126.237929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	3226	1.23
2	A'	3130	3130	1.09
3	A'	1541	1541	63.42
4	A'	1504	1504	16.90
5	A'	1450	1450	2.54
6	A'	1170	1170	0.68
7	A'	993	993	5.46
8	A'	703	703	27.29
9	A'	640	640	4.84
10	A"	3257	3257	0.02
11	A"	1777	1777	431.36
12	A"	1500	1500	32.68
13	A"	1144	1144	14.04
14	A"	499	499	1.41
15	A"	18i	18i	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.311	0.000
N2	-0.010	0.172	0.000
H3	1.043	-1.615	0.000
H4	-0.492	-1.649	0.902
H5	-0.492	-1.649	-0.902
O6	0.001	0.724	-1.073
O7	0.001	0.724	1.073

	C1	N2	H3	H4	H5	O6	O7
C1		1.4834	1.0860	1.0823	1.0823	2.3004	2.3004
N2	1.4834		2.0746	2.0892	2.0892	1.2063	1.2063
H3	1.0860	2.0746		1.7810	1.7810	2.7764	2.7764
H4	1.0823	2.0892	1.7810		1.8049	3.1266	2.4297
H5	1.0823	2.0892	1.7810	1.8049		2.4297	3.1266
O6	2.3004	1.2063	2.7764	3.1266	2.4297		2.1454
O7	2.3004	1.2063	2.7764	2.4297	3.1266	2.1454

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.205	C1	N2	O7	117.205
N2	C1	H3	106.667	N2	C1	H4	108.009
N2	C1	H5	108.009	H3	C1	H4	110.452
H3	C1	H5	110.452	H4	C1	H5	112.989
O6	N2	O7	125.569

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

using model chemistry: MP3/6-311+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: MP3/6-311+G(3df,2p)

States and conformations

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