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	hartrees
Energy at 0K	-244.679120
Energy at 298.15K	-244.673809
HF Energy	-243.661992
Nuclear repulsion energy	127.393143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3369	3175	2.50	47.18	0.70	0.83
2	A'	3272	3083	1.93	96.37	0.03	0.06
3	A'	1689	1591	103.97	12.25	0.35	0.52
4	A'	1620	1526	11.34	12.68	0.75	0.85
5	A'	1571	1480	0.12	1.25	0.75	0.86
6	A'	1271	1198	1.99	1.21	0.75	0.85
7	A'	1052	991	4.82	9.95	0.10	0.18
8	A'	744	701	42.03	5.10	0.48	0.65
9	A'	690	650	15.75	2.15	0.67	0.80
10	A"	3404	3208	1.04	41.39	0.75	0.86
11	A"	1880	1771	582.82	0.79	0.75	0.86
12	A"	1607	1515	37.84	11.18	0.75	0.86
13	A"	1233	1162	31.45	3.83	0.75	0.86
14	A"	530	499	1.45	0.99	0.75	0.86
15	A"	19	18	0.02	0.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.320	0.000
N2	-0.015	0.166	0.000
H3	1.048	-1.629	0.000
H4	-0.497	-1.658	0.905
H5	-0.497	-1.658	-0.905
O6	0.002	0.731	-1.104
O7	0.002	0.731	1.104

	C1	N2	H3	H4	H5	O6	O7
C1		1.4860	1.0903	1.0872	1.0872	2.3293	2.3293
N2	1.4860		2.0860	2.0921	2.0921	1.2401	1.2401
H3	1.0903	2.0860		1.7904	1.7904	2.8078	2.8078
H4	1.0872	2.0921	1.7904		1.8097	3.1608	2.4487
H5	1.0872	2.0921	1.7904	1.8097		2.4487	3.1608
O6	2.3293	1.2401	2.8078	3.1608	2.4487		2.2072
O7	2.3293	1.2401	2.8078	2.4487	3.1608	2.2072

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.099	C1	N2	O7	117.099
N2	C1	H3	106.540	N2	C1	H4	107.949
N2	C1	H5	107.949	H3	C1	H4	110.625
H3	C1	H5	110.625	H4	C1	H5	112.877
O6	N2	O7	125.774

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

using model chemistry: G2

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: G2

States and conformations

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