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	hartrees
Energy at 0K	-244.443034
Energy at 298.15K
HF Energy	-243.704674
Nuclear repulsion energy	125.192829

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3224	1.82
2	A'	3122	3122	1.59
3	A'	1528	1528	62.28
4	A'	1480	1480	13.52
5	A'	1425	1425	2.09
6	A'	1152	1152	0.54
7	A'	982	982	5.23
8	A'	693	693	27.90
9	A'	627	627	4.66
10	A"	3255	3255	0.21
11	A"	1770	1770	415.20
12	A"	1471	1471	28.23
13	A"	1128	1128	13.56
14	A"	493	493	1.45
15	A"	22	22	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.320	0.000
N2	-0.010	0.172	0.000
H3	1.054	-1.627	0.000
H4	-0.499	-1.659	0.913
H5	-0.499	-1.659	-0.913
O6	0.001	0.729	-1.082
O7	0.001	0.729	1.082

	C1	N2	H3	H4	H5	O6	O7
C1		1.4920	1.0975	1.0940	1.0940	2.3175	2.3175
N2	1.4920		2.0901	2.1030	2.1030	1.2174	1.2174
H3	1.0975	2.0901		1.8016	1.8016	2.7989	2.7989
H4	1.0940	2.1030	1.8016		1.8252	3.1513	2.4455
H5	1.0940	2.1030	1.8016	1.8252		2.4455	3.1513
O6	2.3175	1.2174	2.7989	3.1513	2.4455		2.1644
O7	2.3175	1.2174	2.7989	2.4455	3.1513	2.1644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.245	C1	N2	O7	117.245
N2	C1	H3	106.641	N2	C1	H4	107.836
N2	C1	H5	107.836	H3	C1	H4	110.589
H3	C1	H5	110.589	H4	C1	H5	113.065
O6	N2	O7	125.490

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

using model chemistry: MP3=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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