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	hartrees
Energy at 0K	-169.383800
Energy at 298.15K	-169.387495
HF Energy	-168.868321
Nuclear repulsion energy	70.535402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3166	3023	10.72
2	A'	3052	2915	3.72
3	A'	1736	1658	39.58
4	A'	1496	1429	20.58
5	A'	1426	1362	22.17
6	A'	1189	1135	14.70
7	A'	911	870	10.38
8	A'	602	575	2.19
9	A"	3147	3006	7.42
10	A"	1489	1422	13.13
11	A"	1013	967	3.45
12	A"	135	129	1.23

Atom	x (Å)	y (Å)	z (Å)
C1	-0.942	-0.572	0.000
N2	0.000	0.574	0.000
O3	1.151	0.234	0.000
H4	-0.403	-1.524	0.000
H5	-1.576	-0.467	0.887
H6	-1.576	-0.467	-0.887

	C1	N2	O3	H4	H5	H6
C1		1.4840	2.2434	1.0936	1.0948	1.0948
N2	1.4840		1.2001	2.1362	2.0864	2.0864
O3	2.2434	1.2001		2.3466	2.9520	2.9520
H4	1.0936	2.1362	2.3466		1.8108	1.8108
H5	1.0948	2.0864	2.9520	1.8108		1.7730
H6	1.0948	2.0864	2.9520	1.8108	1.7730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.980	N2	C1	H4	111.036
N2	C1	H5	107.043	N2	C1	H6	107.043
H4	C1	H5	111.669	H4	C1	H6	111.669
H5	C1	H6	108.143

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: CCD/6-311G*

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 CH3NO (nitrosomethane)

using model chemistry: CCD/6-311G*

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)