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	hartrees
Energy at 0K	-169.718905
Energy at 298.15K	-169.722591
HF Energy	-169.718905
Nuclear repulsion energy	70.611672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3027	7.22
2	A'	3063	2911	1.13
3	A'	1781	1693	72.71
4	A'	1470	1397	19.22
5	A'	1387	1318	17.46
6	A'	1170	1112	14.29
7	A'	882	838	16.14
8	A'	591	561	2.92
9	A"	3157	3000	3.07
10	A"	1471	1398	10.70
11	A"	973	925	1.43
12	A"	147	140	1.88

Atom	x (Å)	y (Å)	z (Å)
C1	-0.940	-0.571	0.000
N2	0.000	0.575	0.000
O3	1.150	0.231	0.000
H4	-0.401	-1.520	0.000
H5	-1.577	-0.464	0.883
H6	-1.577	-0.464	-0.883

	C1	N2	O3	H4	H5	H6
C1		1.4824	2.2388	1.0917	1.0934	1.0934
N2	1.4824		1.1997	2.1331	2.0840	2.0840
O3	2.2388	1.1997		2.3395	2.9486	2.9486
H4	1.0917	2.1331	2.3395		1.8105	1.8105
H5	1.0934	2.0840	2.9486	1.8105		1.7655
H6	1.0934	2.0840	2.9486	1.8105	1.7655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.749	N2	C1	H4	111.014
N2	C1	H5	107.037	N2	C1	H6	107.037
H4	C1	H5	111.905	H4	C1	H6	111.905
H5	C1	H6	107.674

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	-0.268
2	N	0.052
3	O	-0.259
4	H	0.149
5	H	0.163
6	H	0.163

	x	y	z	Total
	-1.954	-1.347	0.000	2.374
CHELPG
AIM
ESP

	x	y	z
x	4.122	0.269	0.000
y	0.269	2.792	0.000
z	0.000	0.000	2.426

<r²>	41.114
(<r²>)^1/2	6.412

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)