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	hartrees
Energy at 0K	-244.025273
Energy at 298.15K
HF Energy	-243.515147
Nuclear repulsion energy	120.879151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3228	3067	2.73
2	A'	3117	2962	2.70
3	A'	1551	1473	13.21
4	A'	1488	1414	1.69
5	A'	1323	1257	33.75
6	A'	1189	1129	0.03
7	A'	879	835	3.30
8	A'	644	612	28.16
9	A'	576	547	2.42
10	A"	3250	3088	0.21
11	A"	1791	1702	6.14
12	A"	1554	1477	16.29
13	A"	1167	1109	0.85
14	A"	473	450	0.49
15	A"	44	42	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	-1.349	0.000
N2	-0.014	0.157	0.000
H3	1.047	-1.674	0.000
H4	-0.508	-1.677	0.906
H5	-0.508	-1.677	-0.906
O6	0.003	0.751	-1.139
O7	0.003	0.751	1.139

	C1	N2	H3	H4	H5	O6	O7
C1		1.5062	1.0935	1.0907	1.0907	2.3888	2.3888
N2	1.5062		2.1167	2.1050	2.1050	1.2845	1.2845
H3	1.0935	2.1167		1.7995	1.7995	2.8757	2.8757
H4	1.0907	2.1050	1.7995		1.8118	3.2155	2.4925
H5	1.0907	2.1050	1.7995	1.8118		2.4925	3.2155
O6	2.3888	1.2845	2.8757	3.2155	2.4925		2.2779
O7	2.3888	1.2845	2.8757	2.4925	3.2155	2.2779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.517	C1	N2	O7	117.517
N2	C1	H3	107.961	N2	C1	H4	107.217
N2	C1	H5	107.217	H3	C1	H4	110.946
H3	C1	H5	110.946	H4	C1	H5	112.312
O6	N2	O7	124.919

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

using model chemistry: MP2=FULL/6-31G

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: MP2=FULL/6-31G

States and conformations

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