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	hartrees
Energy at 0K	-153.462075
Energy at 298.15K	-153.466974
HF Energy	-153.462075
Nuclear repulsion energy	76.115946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3300	3128	18.86
2	A	3185	3019	14.94
3	A	3140	2976	15.88
4	A	3116	2953	42.51
5	A	3052	2893	35.17
6	A	1578	1495	13.91
7	A	1560	1479	11.55
8	A	1533	1453	2.93
9	A	1489	1411	3.59
10	A	1264	1198	104.74
11	A	1241	1176	29.55
12	A	1174	1113	0.25
13	A	1132	1073	6.89
14	A	934	886	20.54
15	A	582	551	65.39
16	A	429	406	5.72
17	A	282	267	10.42
18	A	178	168	2.97

Atom	x (Å)	y (Å)	z (Å)
O1	0.090	-0.534	-0.055
C2	-1.166	0.167	0.021
C3	1.234	0.225	0.076
H4	-1.956	-0.566	-0.152
H5	-1.314	0.628	1.005
H6	-1.240	0.955	-0.743
H7	2.150	-0.352	0.034
H8	1.229	1.257	-0.282

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4407	1.3791	2.0488	2.1088	2.1120	2.0694	2.1337
C2	1.4407		2.4020	1.0910	1.0968	1.1001	3.3565	2.6487
C3	1.3791	2.4020		3.2948	2.7425	2.7069	1.0830	1.0919
H4	2.0488	1.0910	3.2948		1.7822	1.7821	4.1156	3.6716
H5	2.1088	1.0968	2.7425	1.7822		1.7791	3.7289	2.9184
H6	2.1120	1.1001	2.7069	1.7821	1.7791		3.7156	2.5296
H7	2.0694	3.3565	1.0830	4.1156	3.7289	3.7156		1.8804
H8	2.1337	2.6487	1.0919	3.6716	2.9184	2.5296	1.8804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.240	O1	C2	H5	111.702
O1	C2	H6	111.752	O1	C3	H7	113.850
O1	C3	H8	118.973	C2	O1	C3	116.809
H4	C2	H5	109.091	H4	C2	H6	108.841
H5	C2	H6	108.153	H7	C3	H8	119.674

All results from a given calculation for CH₃OCH₂ (methoxymethyl radical)

using model chemistry: wB97X-D/3-21G*

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	O	-0.482
2	C	-0.364
3	C	-0.203
4	H	0.237
5	H	0.218
6	H	0.206
7	H	0.211
8	H	0.178

	x	y	z	Total
	-0.974	1.315	-0.308	1.665
CHELPG
AIM
ESP

	x	y	z
x	4.633	0.144	0.052
y	0.144	3.193	-0.116
z	0.052	-0.116	2.342

<r²>	49.643
(<r²>)^1/2	7.046

All results from a given calculation for CH3OCH2 (methoxymethyl radical)

using model chemistry: wB97X-D/3-21G*

States and conformations

All results from a given calculation for CH₃OCH₂ (methoxymethyl radical)