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	hartrees
Energy at 0K	-169.697967
Energy at 298.15K	-169.701560
HF Energy	-169.697967
Nuclear repulsion energy	68.101808

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3088	3064	16.09
2	A'	2964	2942	1.40
3	A'	1464	1453	6.54
4	A'	1407	1396	34.07
5	A'	1339	1329	48.55
6	A'	1101	1093	22.55
7	A'	730	724	37.36
8	A'	528	524	0.25
9	A"	3053	3030	5.52
10	A"	1450	1439	13.96
11	A"	947	940	0.57
12	A"	163	162	3.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.988	-0.577	0.000
N2	0.000	0.592	0.000
O3	1.206	0.221	0.000
H4	-0.467	-1.547	0.000
H5	-1.626	-0.450	0.891
H6	-1.626	-0.450	-0.891

	C1	N2	O3	H4	H5	H6
C1		1.5309	2.3341	1.1005	1.1033	1.1033
N2	1.5309		1.2617	2.1894	2.1270	2.1270
O3	2.3341	1.2617		2.4332	3.0432	3.0432
H4	1.1005	2.1894	2.4332		1.8274	1.8274
H5	1.1033	2.1270	3.0432	1.8274		1.7824
H6	1.1033	2.1270	3.0432	1.8274	1.7824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.047	N2	C1	H4	111.565
N2	C1	H5	106.560	N2	C1	H6	106.560
H4	C1	H5	112.035	H4	C1	H6	112.035
H5	C1	H6	107.752

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: BLYP/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	-0.296
2	N	0.048
3	O	-0.249
4	H	0.152
5	H	0.173
6	H	0.173

	x	y	z	Total
	-2.190	-1.469	0.000	2.637
CHELPG
AIM
ESP

	x	y	z
x	4.467	0.383	0.000
y	0.383	2.795	0.000
z	0.000	0.000	2.308

<r²>	43.520
(<r²>)^1/2	6.597

All results from a given calculation for CH3NO (nitrosomethane)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)