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	hartrees
Energy at 0K	-244.379900
Energy at 298.15K
HF Energy	-243.672910
Nuclear repulsion energy	125.200291

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3063	1.40
2	A'	3182	2964	1.68
3	A'	1539	1434	21.71
4	A'	1526	1421	50.52
5	A'	1478	1377	3.78
6	A'	1181	1100	0.43
7	A'	982	915	3.92
8	A'	691	643	29.29
9	A'	622	579	5.33
10	A"	3318	3091	0.07
11	A"	1782	1660	412.40
12	A"	1527	1423	31.58
13	A"	1162	1082	17.17
14	A"	497	463	1.17
15	A"	43	40	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.318	0.000
N2	-0.012	0.168	0.000
H3	1.043	-1.622	0.000
H4	-0.494	-1.651	0.901
H5	-0.494	-1.651	-0.901
O6	0.001	0.728	-1.086
O7	0.001	0.728	1.086

	C1	N2	H3	H4	H5	O6	O7
C1		1.4857	1.0847	1.0813	1.0813	2.3163	2.3163
N2	1.4857		2.0776	2.0868	2.0868	1.2222	1.2222
H3	1.0847	2.0776		1.7817	1.7817	2.7906	2.7906
H4	1.0813	2.0868	1.7817		1.8026	3.1397	2.4377
H5	1.0813	2.0868	1.7817	1.8026		2.4377	3.1397
O6	2.3163	1.2222	2.7906	3.1397	2.4377		2.1722
O7	2.3163	1.2222	2.7906	2.4377	3.1397	2.1722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.277	C1	N2	O7	117.277
N2	C1	H3	106.820	N2	C1	H4	107.724
N2	C1	H5	107.724	H3	C1	H4	110.687
H3	C1	H5	110.687	H4	C1	H5	112.921
O6	N2	O7	125.413

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31+G**

States and conformations

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