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	hartrees
Energy at 0K	-32.436641
Energy at 298.15K	-32.440468
HF Energy	-32.436641
Nuclear repulsion energy	39.729158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3298	3010	17.29
2	A'	3171	2894	9.71
3	A'	1797	1640	65.01
4	A'	1602	1462	35.85
5	A'	1555	1419	7.96
6	A'	1282	1170	13.04
7	A'	1001	913	0.10
8	A'	601	548	6.71
9	A"	3282	2995	14.34
10	A"	1598	1458	17.94
11	A"	1119	1021	5.21
12	A"	178	163	1.32

Atom	x (Å)	y (Å)	z (Å)
C1	-0.962	-0.561	0.000
N2	0.000	0.564	0.000
O3	1.175	0.230	0.000
H4	-0.450	-1.515	0.000
H5	-1.588	-0.451	0.878
H6	-1.588	-0.451	-0.878

	C1	N2	O3	H4	H5	H6
C1		1.4803	2.2785	1.0830	1.0837	1.0837
N2	1.4803		1.2214	2.1274	2.0786	2.0786
O3	2.2785	1.2214		2.3844	2.9773	2.9773
H4	1.0830	2.1274	2.3844		1.7886	1.7886
H5	1.0837	2.0786	2.9773	1.7886		1.7560
H6	1.0837	2.0786	2.9773	1.7886	1.7560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	114.658	N2	C1	H4	111.242
N2	C1	H5	107.316	N2	C1	H6	107.316
H4	C1	H5	111.275	H4	C1	H6	111.275
H5	C1	H6	108.229

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: HF/CEP-121G

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	-0.441
2	N	0.130
3	O	-0.252
4	H	0.181
5	H	0.191
6	H	0.191

	x	y	z	Total
	-2.728	-1.747	0.000	3.240
CHELPG
AIM
ESP

	x	y	z
x	4.417	0.035	0.000
y	0.035	2.566	0.000
z	0.000	0.000	2.374

<r²>	36.167
(<r²>)^1/2	6.014

All results from a given calculation for CH3NO (nitrosomethane)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)