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	hartrees
Energy at 0K	-114.718246
Energy at 298.15K	-114.721147
HF Energy	-114.429271
Nuclear repulsion energy	34.129989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3194	3004	24.76
2	A	3158	2971	29.25
3	A	3065	2883	6.14
4	A	1568	1474	8.29
5	A	1460	1373	14.83
6	A	1449	1363	8.89
7	A	1129	1062	12.65
8	A	987	928	2.52
9	A	826	777	49.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.589	0.000	-0.009
O2	0.800	0.000	-0.008
H3	-0.867	-0.001	1.052
H4	-0.999	0.903	-0.466
H5	-0.999	-0.902	-0.468

	C1	O2	H3	H4	H5
C1		1.3893	1.0972	1.0914	1.0915
O2	1.3893		1.9758	2.0642	2.0642
H3	1.0972	1.9758		1.7718	1.7717
H4	1.0914	2.0642	1.7718		1.8043
H5	1.0915	2.0642	1.7717	1.8043

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	H3	104.627	O2	C1	H4	112.072
O2	C1	H5	112.065	H3	C1	H4	108.102
H3	C1	H5	108.092	H4	C1	H5	111.494

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

using model chemistry: MP2/6-31+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	ESP
1	C	-0.185	0.309
2	O	-0.248	-0.320
3	H	0.160	0.034
4	H	0.137	-0.012
5	H	0.137	-0.011

	x	y	z	Total
	-2.140	-0.000	0.158	2.145
CHELPG
AIM
ESP	-2.132	-0.002	0.222	2.143

	x	y	z
x	2.733	0.000	0.010
y	0.000	2.495	0.000
z	0.010	0.000	2.146

<r²>	21.095
(<r²>)^1/2	4.593

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

using model chemistry: MP2/6-31+G**

States and conformations

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