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	hartrees
Energy at 0K	-114.385475
Energy at 298.15K	-114.388404
Nuclear repulsion energy	33.508020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3083	2943	47.42
2	A	3052	2913	29.21
3	A	2989	2853	1.48
4	A	1584	1512	6.53
5	A	1494	1426	13.61
6	A	1450	1384	14.82
7	A	1044	997	1.18
8	A	1017	971	21.52
9	A	948	905	4.83

Atom	x (Å)	y (Å)	z (Å)
C1	-0.602	0.000	-0.010
O2	0.821	-0.000	-0.008
H3	-0.895	-0.000	1.054
H4	-1.033	0.901	-0.464
H5	-1.033	-0.901	-0.464

	C1	O2	H3	H4	H5
C1		1.4231	1.1039	1.0976	1.0977
O2	1.4231		2.0183	2.1119	2.1119
H3	1.1039	2.0183		1.7710	1.7710
H4	1.0976	2.1119	1.7710		1.8029
H5	1.0977	2.1119	1.7710	1.8029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	H3	105.313	O2	C1	H4	113.187
O2	C1	H5	113.188	H3	C1	H4	107.114
H3	C1	H5	107.113	H4	C1	H5	110.423

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

using model chemistry: mPW1PW91/3-21G

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	-0.399
2	O	-0.289
3	H	0.253
4	H	0.217
5	H	0.217

	x	y	z	Total
	-2.065	0.000	0.236	2.078
CHELPG
AIM
ESP

<r²>	21.358
(<r²>)^1/2	4.622

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

using model chemistry: mPW1PW91/3-21G

States and conformations

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