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	hartrees
Energy at 0K	-48.828571
Energy at 298.15K
HF Energy	-48.174985
Nuclear repulsion energy	68.744944

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3249	3084	8.54
2	A'	3128	2970	6.76
3	A'	1503	1427	11.13
4	A'	1445	1372	0.22
5	A'	1424	1352	46.88
6	A'	1158	1100	0.38
7	A'	927	880	3.07
8	A'	653	620	28.21
9	A'	583	553	2.74
10	A"	3271	3106	2.14
11	A"	1805	1714	107.36
12	A"	1496	1420	17.93
13	A"	1144	1086	1.85
14	A"	472	448	0.46
15	A"	29i	27i	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.338	0.000
N2	-0.013	0.165	0.000
H3	1.059	-1.645	0.000
H4	-0.502	-1.674	0.915
H5	-0.502	-1.674	-0.915
O6	0.002	0.742	-1.119
O7	0.002	0.742	1.119

	C1	N2	H3	H4	H5	O6	O7
C1		1.5030	1.1006	1.0978	1.0978	2.3612	2.3612
N2	1.5030		2.1031	2.1122	2.1122	1.2585	1.2585
H3	1.1006	2.1031		1.8098	1.8098	2.8395	2.8395
H4	1.0978	2.1122	1.8098		1.8307	3.1982	2.4764
H5	1.0978	2.1122	1.8098	1.8307		2.4764	3.1982
O6	2.3612	1.2585	2.8395	3.1982	2.4764		2.2373
O7	2.3612	1.2585	2.8395	2.4764	3.1982	2.2373

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.254	C1	N2	O7	117.254
N2	C1	H3	106.735	N2	C1	H4	107.590
N2	C1	H5	107.590	H3	C1	H4	110.821
H3	C1	H5	110.821	H4	C1	H5	112.979
O6	N2	O7	125.456

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

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

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