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	hartrees
Energy at 0K	-114.957148
Energy at 298.15K
HF Energy	-114.957148
Nuclear repulsion energy	34.452778

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	551	546	100.62
2	A	920	912	0.39
3	A	1099	1090	7.79
4	A	1272	1262	14.60
5	A	1287	1276	36.70
6	A	1459	1447	5.30
7	A	2764	2742	2.52
8	A	2850	2827	40.71
9	A	2896	2872	30.84

Atom	x (Å)	y (Å)	z (Å)
C1	-0.565	0.000	-0.019
O2	0.787	0.000	-0.007
H3	-0.873	-0.001	1.060
H4	-1.017	0.921	-0.444
H5	-1.017	-0.920	-0.446

	C1	O2	H3	H4	H5
C1		1.3518	1.1226	1.1106	1.1106
O2	1.3518		1.9735	2.0721	2.0720
H3	1.1226	1.9735		1.7704	1.7703
H4	1.1106	2.0721	1.7704		1.8414
H5	1.1106	2.0720	1.7703	1.8414

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	H3	105.420	O2	C1	H4	114.241
O2	C1	H5	114.234	H3	C1	H4	104.894
H3	C1	H5	104.880	H4	C1	H5	111.997

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

using model chemistry: PBEPBE/6-311+G(3df,2p)

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	0.070
2	O	-0.432
3	H	0.135
4	H	0.113
5	H	0.113

	x	y	z	Total
	-2.136	-0.001	0.252	2.151
CHELPG
AIM
ESP

	x	y	z
x	3.670	0.000	-0.049
y	0.000	3.099	0.001
z	-0.049	0.001	2.642

<r²>	20.936
(<r²>)^1/2	4.576

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

using model chemistry: PBEPBE/6-311+G(3df,2p)

States and conformations

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