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	hartrees
Energy at 0K	-115.050462
Energy at 298.15K	-115.053376
Nuclear repulsion energy	34.282871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3026	2906	48.12
2	A	2989	2871	42.53
3	A	2921	2805	0.29
4	A	1549	1488	6.00
5	A	1407	1351	12.92
6	A	1400	1345	15.56
7	A	1127	1082	8.47
8	A	980	941	1.45
9	A	914	877	37.99

Atom	x (Å)	y (Å)	z (Å)
C1	-0.575	0.000	-0.013
O2	0.794	0.000	-0.008
H3	-0.871	-0.001	1.058
H4	-1.015	0.909	-0.457
H5	-1.015	-0.908	-0.459

	C1	O2	H3	H4	H5
C1		1.3690	1.1104	1.1033	1.1033
O2	1.3690		1.9767	2.0733	2.0733
H3	1.1104	1.9767		1.7731	1.7730
H4	1.1033	2.0733	1.7731		1.8176
H5	1.1033	2.0733	1.7730	1.8176

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	H3	105.262	O2	C1	H4	113.559
O2	C1	H5	113.551	H3	C1	H4	106.442
H3	C1	H5	106.429	H4	C1	H5	110.909

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

using model chemistry: B3LYP/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	CHELPG	AIM	ESP
1	C	-0.203	0.315	0.522	0.222
2	O	-0.290	-0.305	-0.664	-0.285
3	H	0.188	0.035	0.079	0.060
4	H	0.152	-0.022	0.031	0.002
5	H	0.152	-0.022	0.031	0.002

	x	y	z	Total
	-1.970	-0.001	0.236	1.984
CHELPG	-1.961	-0.001	0.270	1.980
AIM	1.038	-0.000	-0.007	1.038
ESP	-1.969	-0.000	0.294	1.991

	x	y	z
x	2.579	0.004	-0.000
y	0.004	2.280	-0.005
z	-0.000	-0.005	2.014

<r²>	20.784
(<r²>)^1/2	4.559

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

using model chemistry: B3LYP/6-31G*

States and conformations

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