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	hartrees
Energy at 0K	-114.409945
Energy at 298.15K	-114.412719
Nuclear repulsion energy	34.082524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2937	2878	31.10
2	A	2893	2834	31.17
3	A	2795	2739	1.45
4	A	1500	1470	3.85
5	A	1337	1310	38.95
6	A	1303	1277	20.46
7	A	1099	1077	7.62
8	A	947	928	3.94
9	A	601	589	194.71

Atom	x (Å)	y (Å)	z (Å)
C1	-0.573	0.000	-0.019
O2	0.799	0.000	-0.007
H3	-0.888	-0.003	1.063
H4	-1.034	0.920	-0.445
H5	-1.034	-0.917	-0.449

	C1	O2	H3	H4	H5
C1		1.3715	1.1265	1.1136	1.1136
O2	1.3715		1.9973	2.0970	2.0969
H3	1.1265	1.9973		1.7736	1.7732
H4	1.1136	2.0970	1.7736		1.8369
H5	1.1136	2.0969	1.7732	1.8369

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	H3	105.753	O2	C1	H4	114.699
O2	C1	H5	114.680	H3	C1	H4	104.700
H3	C1	H5	104.663	H4	C1	H5	111.128

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

using model chemistry: LSDA/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
1	C	-0.303
2	O	-0.296
3	H	0.233
4	H	0.183
5	H	0.184

	x	y	z	Total
	-2.432	-0.002	0.366	2.460
CHELPG
AIM
ESP

	x	y	z
x	2.833	0.000	0.002
y	0.000	2.498	0.003
z	0.002	0.003	1.980

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G

States and conformations

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