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	hartrees
Energy at 0K	-244.478404
Energy at 298.15K
HF Energy	-243.748084
Nuclear repulsion energy	125.725672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	3032	1.91
2	A'	3143	2939	1.36
3	A'	1518	1419	35.25
4	A'	1506	1409	45.63
5	A'	1469	1374	4.81
6	A'	1178	1102	0.28
7	A'	988	924	7.50
8	A'	698	653	27.63
9	A'	622	581	5.78
10	A"	3271	3059	0.28
11	A"	1764	1650	411.47
12	A"	1508	1410	30.14
13	A"	1158	1083	18.20
14	A"	500	468	1.03
15	A"	27	25	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.319	0.000
N2	-0.012	0.172	0.000
H3	1.044	-1.624	0.000
H4	-0.495	-1.655	0.902
H5	-0.495	-1.655	-0.902
O6	0.001	0.728	-1.077
O7	0.001	0.728	1.077

	C1	N2	H3	H4	H5	O6	O7
C1		1.4906	1.0866	1.0831	1.0831	2.3120	2.3120
N2	1.4906		2.0835	2.0940	2.0940	1.2115	1.2115
H3	1.0866	2.0835		1.7842	1.7842	2.7884	2.7884
H4	1.0831	2.0940	1.7842		1.8040	3.1367	2.4402
H5	1.0831	2.0940	1.7842	1.8040		2.4402	3.1367
O6	2.3120	1.2115	2.7884	3.1367	2.4402		2.1530
O7	2.3120	1.2115	2.7884	2.4402	3.1367	2.1530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.291	C1	N2	O7	117.291
N2	C1	H3	106.844	N2	C1	H4	107.852
N2	C1	H5	107.852	H3	C1	H4	110.634
H3	C1	H5	110.634	H4	C1	H5	112.767
O6	N2	O7	125.384

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

using model chemistry: MP3/TZVP

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/TZVP

States and conformations

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