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	hartrees
Energy at 0K	-166.653737
Energy at 298.15K	-166.657428
HF Energy	-166.653737
Nuclear repulsion energy	69.080499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3753	3064	0.44
2	A'	3551	2899	1.52
3	A'	1992	1627	8.35
4	A'	1781	1454	7.95
5	A'	1675	1367	1.77
6	A'	1306	1067	15.16
7	A'	1075	878	2.47
8	A'	600	490	2.27
9	A"	3744	3057	0.39
10	A"	1778	1451	4.68
11	A"	1145	935	1.49
12	A"	155	127	1.38

Atom	x (Å)	y (Å)	z (Å)
C1	-0.964	-0.588	0.000
N2	0.000	0.603	0.000
O3	1.174	0.232	0.000
H4	-0.426	-1.534	0.000
H5	-1.593	-0.510	0.885
H6	-1.593	-0.510	-0.885

	C1	N2	O3	H4	H5	H6
C1		1.5316	2.2898	1.0888	1.0886	1.0886
N2	1.5316		1.2313	2.1793	2.1351	2.1351
O3	2.2898	1.2313		2.3837	2.9984	2.9984
H4	1.0888	2.1793	2.3837		1.7871	1.7871
H5	1.0886	2.1351	2.9984	1.7871		1.7704
H6	1.0886	2.1351	2.9984	1.7871	1.7704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.481	N2	C1	H4	111.415
N2	C1	H5	107.947	N2	C1	H6	107.947
H4	C1	H5	110.317	H4	C1	H6	110.317
H5	C1	H6	108.808

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: HF/STO-3G

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	-0.140
2	N	-0.015
3	O	-0.094
4	H	0.079
5	H	0.085
6	H	0.085

	x	y	z	Total
	-1.175	-1.287	0.000	1.743
CHELPG
AIM
ESP

	x	y	z
x	2.521	0.170	0.000
y	0.170	1.192	0.000
z	0.000	0.000	1.145

<r²>	41.705
(<r²>)^1/2	6.458

All results from a given calculation for CH3NO (nitrosomethane)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)