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	hartrees
Energy at 0K	-244.332320
Energy at 298.15K	-244.337118
HF Energy	-243.663533
Nuclear repulsion energy	123.371700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3055	8.05
2	A'	3103	2937	13.04
3	A'	1740	1647	117.18
4	A'	1545	1462	8.35
5	A'	1498	1418	1.75
6	A'	1229	1164	0.82
7	A'	1095	1037	187.82
8	A'	917	868	97.76
9	A'	769	728	56.00
10	A'	381	360	3.43
11	A"	3186	3016	19.63
12	A"	1534	1452	8.00
13	A"	1193	1129	1.51
14	A"	356	337	3.42
15	A"	233	221	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	1.322	0.309	0.000
O2	0.000	0.875	0.000
H3	1.983	1.176	0.000
H4	1.487	-0.302	0.893
H5	1.487	-0.302	-0.893
N6	-1.027	-0.015	0.000
O7	-0.712	-1.165	0.000

	C1	O2	H3	H4	H5	N6	O7
C1		1.4377	1.0902	1.0945	1.0945	2.3716	2.5122
O2	1.4377		2.0061	2.0957	2.0957	1.3590	2.1606
H3	1.0902	2.0061		1.7964	1.7964	3.2377	3.5702
H4	1.0945	2.0957	1.7964		1.7860	2.6835	2.5255
H5	1.0945	2.0957	1.7964	1.7860		2.6835	2.5255
N6	2.3716	1.3590	3.2377	2.6835	2.6835		1.1927
O7	2.5122	2.1606	3.5702	2.5255	2.5255	1.1927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	N6	115.953	O2	C1	H3	104.200
O2	C1	H4	110.983	O2	C1	H5	110.983
O2	N6	O7	115.559	H3	C1	H4	110.625
H3	C1	H5	110.625	H4	C1	H5	109.353

All results from a given calculation for CH₃ONO (Methyl nitrite)

using model chemistry: CCD/6-31G*

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 CH3ONO (Methyl nitrite)

using model chemistry: CCD/6-31G*

States and conformations

All results from a given calculation for CH₃ONO (Methyl nitrite)