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	hartrees
Energy at 0K	-169.509623
Energy at 298.15K	-169.513350
HF Energy	-168.893936
Nuclear repulsion energy	70.756769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	2967	8.82
2	A'	3066	2863	3.17
3	A'	1723	1609	41.18
4	A'	1486	1388	18.89
5	A'	1411	1317	12.82
6	A'	1182	1104	13.86
7	A'	908	848	10.21
8	A'	594	554	2.65
9	A"	3157	2948	4.95
10	A"	1487	1388	9.90
11	A"	1004	938	3.17
12	A"	155	145	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	-0.940	-0.569	0.000
N2	0.000	0.571	0.000
O3	1.149	0.233	0.000
H4	-0.407	-1.517	0.000
H5	-1.573	-0.464	0.880
H6	-1.573	-0.464	-0.880

	C1	N2	O3	H4	H5	H6
C1		1.4778	2.2377	1.0879	1.0893	1.0893
N2	1.4778		1.1978	2.1277	2.0784	2.0784
O3	2.2377	1.1978		2.3415	2.9442	2.9442
H4	1.0879	2.1277	2.3415		1.8013	1.8013
H5	1.0893	2.0784	2.9442	1.8013		1.7608
H6	1.0893	2.0784	2.9442	1.8013	1.7608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.093	N2	C1	H4	111.136
N2	C1	H5	107.151	N2	C1	H6	107.151
H4	C1	H5	111.656	H4	C1	H6	111.656
H5	C1	H6	107.854

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: CCD/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)