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	hartrees
Energy at 0K	-114.429505
Energy at 298.15K	-114.432433
Nuclear repulsion energy	34.295148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3248	2937	46.06
2	A	3228	2919	39.03
3	A	3159	2856	17.73
4	A	1642	1485	6.66
5	A	1566	1416	12.00
6	A	1561	1411	5.35
7	A	1202	1087	24.49
8	A	1096	991	15.53
9	A	805	728	53.23

Atom	x (Å)	y (Å)	z (Å)
C1	-0.587	0.000	-0.006
O2	0.797	0.000	-0.006
H3	-0.887	-0.002	1.040
H4	-0.983	0.894	-0.476
H5	-0.983	-0.893	-0.480

	C1	O2	H3	H4	H5
C1		1.3834	1.0885	1.0856	1.0856
O2	1.3834		1.9820	2.0469	2.0467
H3	1.0885	1.9820		1.7647	1.7646
H4	1.0856	2.0469	1.7647		1.7869
H5	1.0856	2.0467	1.7646	1.7869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	H3	105.993	O2	C1	H4	111.424
O2	C1	H5	111.413	H3	C1	H4	108.528
H3	C1	H5	108.517	H4	C1	H5	110.769

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

using model chemistry: HF/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	CHELPG
1	C	-0.139	0.425
2	O	-0.260	-0.338
3	H	0.145	-0.005
4	H	0.127	-0.041
5	H	0.128	-0.041

	x	y	z	Total
	-2.114	-0.001	0.115	2.117
CHELPG
AIM
ESP

	x	y	z
x	2.435	0.000	0.023
y	0.000	2.425	0.001
z	0.023	0.001	2.096

<r²>	20.960
(<r²>)^1/2	4.578

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

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

States and conformations

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