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	hartrees
Energy at 0K	-244.513239
Energy at 298.15K
HF Energy	-243.719729
Nuclear repulsion energy	123.876899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3190	3093
2	A'	3087	2994
3	A'	1492	1447
4	A'	1427	1384
5	A'	1377	1336
6	A'	1140	1105
7	A'	915	888
8	A'	664	644
9	A'	593	575
10	A"	3213	3115
11	A"	1664	1614
12	A"	1481	1436
13	A"	1115	1081
14	A"	476	462
15	A"	19	18

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.328	0.000
N2	-0.014	0.174	0.000
H3	1.052	-1.632	0.000
H4	-0.498	-1.667	0.908
H5	-0.498	-1.667	-0.908
O6	0.002	0.732	-1.102
O7	0.002	0.732	1.102

	C1	N2	H3	H4	H5	O6	O7
C1		1.5018	1.0933	1.0906	1.0906	2.3364	2.3364
N2	1.5018		2.0974	2.1091	2.1091	1.2357	1.2357
H3	1.0933	2.0974		1.7967	1.7967	2.8121	2.8121
H4	1.0906	2.1091	1.7967		1.8156	3.1699	2.4588
H5	1.0906	2.1091	1.7967	1.8156		2.4588	3.1699
O6	2.3364	1.2357	2.8121	3.1699	2.4588		2.2046
O7	2.3364	1.2357	2.8121	2.4588	3.1699	2.2046

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.846	C1	N2	O7	116.846
N2	C1	H3	106.781	N2	C1	H4	107.837
N2	C1	H5	107.837	H3	C1	H4	110.715
H3	C1	H5	110.715	H4	C1	H5	112.691
O6	N2	O7	126.261

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

using model chemistry: MP4/6-311G**

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: MP4/6-311G**

States and conformations

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