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	hartrees
Energy at 0K	-169.671163
Energy at 298.15K
HF Energy	-169.495627
Nuclear repulsion energy	70.076679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3049	10.02
2	A'	3045	2930	2.22
3	A'	1596	1535	59.09
4	A'	1439	1385	26.28
5	A'	1364	1313	23.59
6	A'	1154	1111	17.43
7	A'	871	838	20.99
8	A'	574	553	1.83
9	A"	3142	3023	2.76
10	A"	1442	1388	11.78
11	A"	972	935	2.70
12	A"	162	156	1.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.953	-0.564	0.000
N2	0.000	0.571	0.000
O3	1.165	0.224	0.000
H4	-0.426	-1.527	0.000
H5	-1.590	-0.439	0.887
H6	-1.590	-0.439	-0.887

	C1	N2	O3	H4	H5	H6
C1		1.4825	2.2604	1.0972	1.0989	1.0989
N2	1.4825		1.2161	2.1411	2.0819	2.0819
O3	2.2604	1.2161		2.3664	2.9693	2.9693
H4	1.0972	2.1411	2.3664		1.8230	1.8230
H5	1.0989	2.0819	2.9693	1.8230		1.7736
H6	1.0989	2.0819	2.9693	1.8230	1.7736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.406	N2	C1	H4	111.318
N2	C1	H5	106.561	N2	C1	H6	106.561
H4	C1	H5	112.222	H4	C1	H6	112.222
H5	C1	H6	107.608

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

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: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)