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	hartrees
Energy at 0K	-152.223786
Energy at 298.15K	-152.228718
HF Energy	-152.223786
Nuclear repulsion energy	75.668496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3549	3134	3.44
2	A	3498	3089	0.52
3	A	3454	3050	4.77
4	A	3354	2962	1.42
5	A	3296	2911	8.83
6	A	1669	1474	8.17
7	A	1655	1461	5.34
8	A	1625	1435	4.93
9	A	1578	1393	18.25
10	A	1347	1189	58.43
11	A	1316	1162	3.31
12	A	1188	1049	1.06
13	A	1176	1038	2.92
14	A	1041	920	1.68
15	A	785	693	20.40
16	A	474	419	2.27
17	A	342	302	6.34
18	A	174	154	1.15

Atom	x (Å)	y (Å)	z (Å)
O1	0.097	-0.594	-0.046
C2	-1.142	0.185	0.014
C3	1.203	0.256	0.096
H4	-1.969	-0.515	-0.195
H5	-1.296	0.633	1.015
H6	-1.154	0.995	-0.740
H7	2.147	-0.283	-0.058
H8	1.129	1.275	-0.315

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4650	1.4029	2.0731	2.1377	2.1385	2.0739	2.1524
C2	1.4650		2.3482	1.1035	1.1071	1.1074	3.3235	2.5411
C3	1.4029	2.3482		3.2781	2.6894	2.6079	1.0980	1.1010
H4	2.0731	1.1035	3.2781		1.7988	1.8010	4.1254	3.5806
H5	2.1377	1.1071	2.6894	1.7988		1.7982	3.7208	2.8398
H6	2.1385	1.1074	2.6079	1.8010	1.7982		3.6052	2.3390
H7	2.0739	3.3235	1.0980	4.1254	3.7208	3.6052		1.8791
H8	2.1524	2.5411	1.1010	3.5806	2.8398	2.3390	1.8791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.784	O1	C2	H5	111.671
O1	C2	H6	111.721	O1	C3	H7	111.473
O1	C3	H8	118.055	C2	O1	C3	109.912
H4	C2	H5	108.913	H4	C2	H6	109.097
H5	C2	H6	108.586	H7	C3	H8	117.413

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

using model chemistry: HSEh1PBE/STO-3G

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	-0.156
2	C	-0.134
3	C	-0.103
4	H	0.095
5	H	0.090
6	H	0.085
7	H	0.067
8	H	0.057

	x	y	z	Total
	-0.860	0.903	-0.318	1.287
CHELPG
AIM
ESP

	x	y	z
x	3.125	0.145	0.078
y	0.145	1.795	-0.033
z	0.078	-0.033	1.183

<r²>	48.857
(<r²>)^1/2	6.990

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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