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	hartrees
Energy at 0K	-48.492239
Energy at 298.15K
HF Energy	-48.042996
Nuclear repulsion energy	66.638714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	3109	19.32
2	A'	3086	2982	13.61
3	A'	1505	1454	14.50
4	A'	1459	1410	0.24
5	A'	1342	1296	20.48
6	A'	1165	1126	0.01
7	A'	872	842	1.46
8	A'	609	589	31.75
9	A'	541	522	1.14
10	A"	3236	3127	5.10
11	A"	1839	1777	9.48
12	A"	1510	1459	15.71
13	A"	1155	1116	0.85
14	A"	452	437	0.47
15	A"	27i	26i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.377	0.000
N2	-0.012	0.156	0.000
H3	1.059	-1.699	0.000
H4	-0.513	-1.706	0.918
H5	-0.513	-1.706	-0.918
O6	0.002	0.768	-1.162
O7	0.002	0.768	1.162

	C1	N2	H3	H4	H5	O6	O7
C1		1.5336	1.1048	1.1029	1.1029	2.4396	2.4396
N2	1.5336		2.1427	2.1356	2.1356	1.3132	1.3132
H3	1.1048	2.1427		1.8208	1.8208	2.9246	2.9246
H4	1.1029	2.1356	1.8208		1.8359	3.2727	2.5385
H5	1.1029	2.1356	1.8208	1.8359		2.5385	3.2727
O6	2.4396	1.3132	2.9246	3.2727	2.5385		2.3240
O7	2.4396	1.3132	2.9246	2.5385	3.2727	2.3240

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.745	C1	N2	O7	117.745
N2	C1	H3	107.496	N2	C1	H4	107.060
N2	C1	H5	107.060	H3	C1	H4	111.124
H3	C1	H5	111.124	H4	C1	H5	112.668
O6	N2	O7	124.476

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-)