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	hartrees
Energy at 0K	-115.020185
Energy at 298.15K	-115.023074
HF Energy	-115.020185
Nuclear repulsion energy	34.389537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3069	2923	30.13
2	A	3025	2881	38.72
3	A	2940	2800	0.31
4	A	1535	1462	6.63
5	A	1389	1323	23.21
6	A	1388	1321	17.60
7	A	1146	1091	10.01
8	A	977	930	0.50
9	A	808	770	67.29

Atom	x (Å)	y (Å)	z (Å)
C1	-0.581	0.000	-0.011
O2	0.794	0.000	-0.008
H3	-0.869	-0.009	1.055
H4	-0.999	0.913	-0.457
H5	-1.000	-0.905	-0.472

	C1	O2	H3	H4	H5
C1		1.3752	1.1034	1.0990	1.0990
O2	1.3752		1.9734	2.0621	2.0622
H3	1.1034	1.9734		1.7757	1.7749
H4	1.0990	2.0621	1.7757		1.8183
H5	1.0990	2.0622	1.7749	1.8183

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	H3	105.006	O2	C1	H4	112.433
O2	C1	H5	112.436	H3	C1	H4	107.463
H3	C1	H5	107.386	H4	C1	H5	111.635

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

using model chemistry: wB97X-D/6-31+G**

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	-0.260
2	O	-0.237
3	H	0.185
4	H	0.156
5	H	0.156

	x	y	z	Total
	-2.249	-0.001	0.223	2.260
CHELPG
AIM
ESP

	x	y	z
x	2.982	0.000	-0.017
y	0.000	2.612	0.002
z	-0.017	0.002	2.219

<r²>	20.868
(<r²>)^1/2	4.568

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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