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	hartrees
Energy at 0K	-242.756729
Energy at 298.15K
HF Energy	-242.246766
Nuclear repulsion energy	119.647525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3067	3.02
2	A'	3137	2974	2.03
3	A'	1583	1500	10.68
4	A'	1463	1387	1.84
5	A'	1242	1178	30.66
6	A'	1167	1106	0.51
7	A'	830	787	3.11
8	A'	603	572	26.44
9	A'	525	498	2.61
10	A"	3260	3090	0.28
11	A"	1773	1681	5.44
12	A"	1577	1495	10.76
13	A"	1138	1078	0.18
14	A"	424	402	0.43
15	A"	28	26	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.004	-1.355	0.000
N2	-0.016	0.163	0.000
H3	1.046	-1.674	0.000
H4	-0.507	-1.672	0.905
H5	-0.507	-1.672	-0.905
O6	0.004	0.750	-1.164
O7	0.004	0.750	1.164

	C1	N2	H3	H4	H5	O6	O7
C1		1.5183	1.0901	1.0870	1.0870	2.4051	2.4051
N2	1.5183		2.1222	2.1049	2.1049	1.3034	1.3034
H3	1.0901	2.1222		1.7980	1.7980	2.8838	2.8838
H4	1.0870	2.1049	1.7980		1.8107	3.2265	2.4892
H5	1.0870	2.1049	1.7980	1.8107		2.4892	3.2265
O6	2.4051	1.3034	2.8838	3.2265	2.4892		2.3273
O7	2.4051	1.3034	2.8838	2.4892	3.2265	2.3273

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.738	C1	N2	O7	116.738
N2	C1	H3	107.772	N2	C1	H4	106.617
N2	C1	H5	106.617	H3	C1	H4	111.348
H3	C1	H5	111.348	H4	C1	H5	112.782
O6	N2	O7	126.461

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

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

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