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	hartrees
Energy at 0K	-114.469078
Energy at 298.15K	-114.472002
HF Energy	-114.469078
Nuclear repulsion energy	34.373331

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3213	2907	45.19
2	A	3194	2889	38.14
3	A	3133	2834	17.10
4	A	1633	1477	6.17
5	A	1556	1407	12.42
6	A	1551	1403	4.99
7	A	1197	1083	24.20
8	A	1089	985	13.93
9	A	797	721	35.91

Atom	x (Å)	y (Å)	z (Å)
C1	-0.585	0.000	-0.006
O2	0.795	0.000	-0.006
H3	-0.887	-0.004	1.039
H4	-0.982	0.893	-0.475
H5	-0.982	-0.890	-0.481

	C1	O2	H3	H4	H5
C1		1.3793	1.0872	1.0843	1.0843
O2	1.3793		1.9794	2.0431	2.0428
H3	1.0872	1.9794		1.7618	1.7616
H4	1.0843	2.0431	1.7618		1.7835
H5	1.0843	2.0428	1.7616	1.7835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	H3	106.141	O2	C1	H4	111.499
O2	C1	H5	111.471	H3	C1	H4	108.453
H3	C1	H5	108.433	H4	C1	H5	110.652

All results from a given calculation for CH₃O (Methoxy radical)

using model chemistry: HF/daug-cc-pVTZ

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	-0.982
2	O	-0.828
3	H	0.631
4	H	0.589
5	H	0.589

	x	y	z	Total
	-1.918	-0.001	0.091	1.920
CHELPG
AIM
ESP

	x	y	z
x	2.879	0.000	0.011
y	0.000	2.694	0.001
z	0.011	0.001	2.452

<r²>	20.842
(<r²>)^1/2	4.565

All results from a given calculation for CH3O (Methoxy radical)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃O (Methoxy radical)