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	hartrees
Energy at 0K	-114.974153
Energy at 298.15K	-114.976985
HF Energy	-114.974153
Nuclear repulsion energy	34.535775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3031	2913	36.51
2	A	2988	2871	39.23
3	A	2918	2805	0.09
4	A	1512	1453	4.83
5	A	1361	1308	21.71
6	A	1358	1305	16.26
7	A	1138	1094	9.12
8	A	963	926	0.44
9	A	670	644	83.50

Atom	x (Å)	y (Å)	z (Å)
C1	-0.569	0.000	-0.014
O2	0.787	0.000	-0.007
H3	-0.868	-0.001	1.051
H4	-1.006	0.908	-0.452
H5	-1.006	-0.907	-0.454

	C1	O2	H3	H4	H5
C1		1.3561	1.1070	1.0991	1.0991
O2	1.3561		1.9651	2.0588	2.0588
H3	1.1070	1.9651		1.7626	1.7625
H4	1.0991	2.0588	1.7626		1.8158
H5	1.0991	2.0588	1.7625	1.8158

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	H3	105.405	O2	C1	H4	113.570
O2	C1	H5	113.564	H3	C1	H4	106.068
H3	C1	H5	106.056	H4	C1	H5	111.396

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

using model chemistry: HSEh1PBE/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	-0.032
2	O	-0.210
3	H	0.111
4	H	0.065
5	H	0.065

	x	y	z	Total
	-1.960	-0.000	0.213	1.971
CHELPG
AIM
ESP

	x	y	z
x	3.007	0.000	-0.017
y	0.000	2.682	0.001
z	-0.017	0.001	2.339

<r²>	20.672
(<r²>)^1/2	4.547

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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