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	hartrees
Energy at 0K	-169.647905
Energy at 298.15K	-169.651617
HF Energy	-169.647905
Nuclear repulsion energy	69.684613

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3196	6.09
2	A'	3076	3076	0.55
3	A'	1635	1635	39.11
4	A'	1501	1501	32.78
5	A'	1431	1431	29.10
6	A'	1180	1180	17.67
7	A'	883	883	14.02
8	A'	579	579	3.51
9	A"	3174	3174	1.24
10	A"	1501	1501	18.44
11	A"	1019	1019	0.91
12	A"	161	161	2.72

Atom	x (Å)	y (Å)	z (Å)
C1	-0.963	-0.562	0.000
N2	0.000	0.575	0.000
O3	1.176	0.220	0.000
H4	-0.441	-1.521	0.000
H5	-1.595	-0.448	0.884
H6	-1.595	-0.448	-0.884

	C1	N2	O3	H4	H5	H6
C1		1.4906	2.2777	1.0913	1.0924	1.0924
N2	1.4906		1.2285	2.1419	2.0906	2.0906
O3	2.2777	1.2285		2.3759	2.9839	2.9839
H4	1.0913	2.1419	2.3759		1.8066	1.8066
H5	1.0924	2.0906	2.9839	1.8066		1.7679
H6	1.0924	2.0906	2.9839	1.8066	1.7679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.438	N2	C1	H4	111.173
N2	C1	H5	107.061	N2	C1	H6	107.061
H4	C1	H5	111.641	H4	C1	H6	111.641
H5	C1	H6	108.025

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	-0.372
2	N	0.056
3	O	-0.284
4	H	0.186
5	H	0.207
6	H	0.207

	x	y	z	Total
	-2.363	-1.612	0.000	2.860
CHELPG
AIM
ESP

	x	y	z
x	4.139	0.208	0.000
y	0.208	2.539	0.000
z	0.000	0.000	2.229

<r²>	42.143
(<r²>)^1/2	6.492

All results from a given calculation for CH3NO (nitrosomethane)

using model chemistry: M06-2X/6-31G

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)