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	hartrees
Energy at 0K	-244.531866
Energy at 298.15K
HF Energy	-243.685083
Nuclear repulsion energy	125.089524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3265	3068	0.77
2	A'	3152	2963	0.80
3	A'	1512	1421	10.32
4	A'	1449	1361	43.92
5	A'	1439	1352	17.76
6	A'	1164	1094	0.74
7	A'	958	900	6.15
8	A'	684	643	24.90
9	A'	617	580	3.53
10	A"	3289	3091	0.02
11	A"	1815	1706	112.21
12	A"	1504	1413	20.81
13	A"	1141	1072	2.03
14	A"	484	455	0.56
15	A"	25i	23i	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.023	-1.303	0.000
N2	-0.100	0.178	0.000
H3	1.084	-1.540	0.000
H4	-0.445	-1.678	0.903
H5	-0.445	-1.678	-0.903
O6	0.023	0.717	-1.086
O7	0.023	0.717	1.086

	C1	N2	H3	H4	H5	O6	O7
C1		1.4862	1.0869	1.0836	1.0836	2.2934	2.2934
N2	1.4862		2.0859	2.0927	2.0927	1.2186	1.2186
H3	1.0869	2.0859		1.7806	1.7806	2.7196	2.7196
H4	1.0836	2.0927	1.7806		1.8052	3.1479	2.4471
H5	1.0836	2.0927	1.7806	1.8052		2.4471	3.1479
O6	2.2934	1.2186	2.7196	3.1479	2.4471		2.1722
O7	2.2934	1.2186	2.7196	2.4471	3.1479	2.1722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	115.614	C1	N2	O7	115.614
N2	C1	H3	107.299	N2	C1	H4	108.020
N2	C1	H5	108.020	H3	C1	H4	110.243
H3	C1	H5	110.243	H4	C1	H5	112.813
O6	N2	O7	126.073

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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(2df,p)

States and conformations

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