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	hartrees
Energy at 0K	-154.227841
Energy at 298.15K	-154.232841
HF Energy	-154.227841
Nuclear repulsion energy	77.685988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3268	3136	21.81
2	A	3165	3037	24.41
3	A	3113	2987	29.03
4	A	3086	2961	60.60
5	A	3021	2899	58.58
6	A	1520	1459	19.75
7	A	1512	1451	3.52
8	A	1503	1443	8.63
9	A	1468	1409	2.14
10	A	1318	1264	150.76
11	A	1271	1220	21.11
12	A	1186	1138	1.48
13	A	1155	1108	6.45
14	A	999	958	34.30
15	A	648	622	45.30
16	A	435	418	3.70
17	A	303	291	8.77
18	A	183	175	2.01

Atom	x (Å)	y (Å)	z (Å)
O1	0.090	-0.540	-0.044
C2	-1.127	0.167	0.015
C3	1.192	0.227	0.077
H4	-1.927	-0.558	-0.127
H5	-1.248	0.658	0.987
H6	-1.180	0.924	-0.777
H7	2.113	-0.332	-0.026
H8	1.133	1.262	-0.256

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4091	1.3491	2.0183	2.0710	2.0725	2.0344	2.0936
C2	1.4091		2.3213	1.0891	1.0955	1.0973	3.2792	2.5263
C3	1.3491	2.3213		3.2231	2.6397	2.6164	1.0824	1.0888
H4	2.0183	1.0891	3.2231		1.7840	1.7827	4.0478	3.5630
H5	2.0710	1.0955	2.6397	1.7840		1.7859	3.6474	2.7528
H6	2.0725	1.0973	2.6164	1.7827	1.7859		3.6043	2.3956
H7	2.0344	3.2792	1.0824	4.0478	3.6474	3.6043		1.8856
H8	2.0936	2.5263	1.0888	3.5630	2.7528	2.3956	1.8856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.089	O1	C2	H5	110.945
O1	C2	H6	110.949	O1	C3	H7	113.128
O1	C3	H8	117.968	C2	O1	C3	114.603
H4	C2	H5	109.502	H4	C2	H6	109.250
H5	C2	H6	109.068	H7	C3	H8	120.560

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

using model chemistry: HSEh1PBE/6-311G*

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	-0.256
2	C	-0.474
3	C	-0.342
4	H	0.231
5	H	0.219
6	H	0.214
7	H	0.215
8	H	0.193

	x	y	z	Total
	-0.839	1.003	-0.337	1.351
CHELPG
AIM
ESP

	x	y	z
x	4.958	0.095	-0.012
y	0.095	3.663	-0.092
z	-0.012	-0.092	3.220

<r²>	48.294
(<r²>)^1/2	6.949

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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