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	hartrees
Energy at 0K	-242.750939
Energy at 298.15K
HF Energy	-242.248513
Nuclear repulsion energy	120.051820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3073	2.86
2	A'	3081	2986	1.57
3	A'	1555	1507	11.12
4	A'	1444	1399	0.92
5	A'	1193	1156	44.51
6	A'	1147	1112	0.36
7	A'	807	783	0.72
8	A'	592	574	26.11
9	A'	516	500	3.87
10	A"	3202	3103	0.54
11	A"	1554	1506	4.77
12	A"	1305	1265	85.67
13	A"	1040	1008	59.17
14	A"	423	410	0.45
15	A"	14i	14i	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	-1.353	0.000
N2	-0.016	0.167	0.000
H3	1.052	-1.666	0.000
H4	-0.506	-1.674	0.910
H5	-0.506	-1.674	-0.910
O6	0.003	0.748	-1.157
O7	0.003	0.748	1.157

	C1	N2	H3	H4	H5	O6	O7
C1		1.5200	1.0948	1.0908	1.0908	2.3983	2.3983
N2	1.5200		2.1215	2.1109	2.1109	1.2946	1.2946
H3	1.0948	2.1215		1.8046	1.8046	2.8748	2.8748
H4	1.0908	2.1109	1.8046		1.8190	3.2240	2.4871
H5	1.0908	2.1109	1.8046	1.8190		2.4871	3.2240
O6	2.3983	1.2946	2.8748	3.2240	2.4871		2.3136
O7	2.3983	1.2946	2.8748	2.4871	3.2240	2.3136

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.649	C1	N2	O7	116.649
N2	C1	H3	107.331	N2	C1	H4	106.751
N2	C1	H5	106.751	H3	C1	H4	111.320
H3	C1	H5	111.320	H4	C1	H5	112.989
O6	N2	O7	126.641

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

using model chemistry: QCISD/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: QCISD/3-21G

States and conformations

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