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	hartrees
Energy at 0K	-169.736785
Energy at 298.15K	-169.740507
HF Energy	-169.736785
Nuclear repulsion energy	70.695555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3045	9.75
2	A'	3058	2925	1.64
3	A'	1730	1655	92.71
4	A'	1459	1396	27.29
5	A'	1380	1321	29.83
6	A'	1169	1118	17.20
7	A'	884	846	23.16
8	A'	582	557	2.11
9	A"	3154	3017	1.48
10	A"	1455	1392	15.67
11	A"	973	931	2.17
12	A"	173	165	1.69

Atom	x (Å)	y (Å)	z (Å)
C1	-0.942	-0.564	0.000
N2	0.000	0.565	0.000
O3	1.154	0.230	0.000
H4	-0.423	-1.524	0.000
H5	-1.579	-0.444	0.880
H6	-1.579	-0.444	-0.880

	C1	N2	O3	H4	H5	H6
C1		1.4706	2.2411	1.0910	1.0928	1.0928
N2	1.4706		1.2018	2.1313	2.0699	2.0699
O3	2.2411	1.2018		2.3578	2.9488	2.9488
H4	1.0910	2.1313	2.3578		1.8103	1.8103
H5	1.0928	2.0699	2.9488	1.8103		1.7595
H6	1.0928	2.0699	2.9488	1.8103	1.7595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.604	N2	C1	H4	111.755
N2	C1	H5	106.777	N2	C1	H6	106.777
H4	C1	H5	111.983	H4	C1	H6	111.983
H5	C1	H6	107.232

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: B1B95/6-31+G**

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	-0.430
2	N	-0.029
3	O	-0.095
4	H	0.182
5	H	0.187
6	H	0.187

	x	y	z	Total
	-2.133	-1.456	0.000	2.582
CHELPG
AIM
ESP

	x	y	z
x	4.851	0.291	0.000
y	0.291	3.528	0.000
z	0.000	0.000	2.849

<r²>	41.329
(<r²>)^1/2	6.429

All results from a given calculation for CH3NO (nitrosomethane)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)