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	hartrees
Energy at 0K	-154.189713
Energy at 298.15K	-154.194494
HF Energy	-154.189713
Nuclear repulsion energy	76.716304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3214	3194	8.97
2	A	3087	3069	14.18
3	A	3052	3033	20.71
4	A	3004	2986	48.03
5	A	2935	2918	60.69
6	A	1429	1420	15.17
7	A	1414	1406	7.20
8	A	1406	1397	9.11
9	A	1381	1372	0.50
10	A	1241	1233	127.31
11	A	1198	1190	20.28
12	A	1111	1104	1.46
13	A	1086	1079	3.92
14	A	933	928	31.20
15	A	476	473	55.64
16	A	423	420	5.04
17	A	285	283	3.02
18	A	163	162	2.21

Atom	x (Å)	y (Å)	z (Å)
O1	0.093	-0.552	-0.033
C2	-1.143	0.171	0.011
C3	1.206	0.230	0.060
H4	-1.949	-0.572	-0.105
H5	-1.250	0.697	0.982
H6	-1.192	0.910	-0.816
H7	2.144	-0.327	-0.029
H8	1.128	1.297	-0.194

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4322	1.3635	2.0430	2.0958	2.0976	2.0639	2.1245
C2	1.4322		2.3503	1.1023	1.1091	1.1101	3.3249	2.5426
C3	1.3635	2.3503		3.2595	2.6651	2.6425	1.0944	1.0996
H4	2.0430	1.1023	3.2595		1.8104	1.8091	4.1013	3.6007
H5	2.0958	1.1091	2.6651	1.8104		1.8118	3.6867	2.7201
H6	2.0976	1.1101	2.6425	1.8091	1.8118		3.6445	2.4332
H7	2.0639	3.3249	1.0944	4.1013	3.6867	3.6445		1.9226
H8	2.1245	2.5426	1.0996	3.6007	2.7201	2.4332	1.9226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.706	O1	C2	H5	110.474
O1	C2	H6	110.550	O1	C3	H7	113.773
O1	C3	H8	118.825	C2	O1	C3	114.405
H4	C2	H5	109.909	H4	C2	H6	109.706
H5	C2	H6	109.460	H7	C3	H8	122.409

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

using model chemistry: PBEPBE/aug-cc-pVDZ

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	-0.348
2	C	0.876
3	C	0.699
4	H	-0.350
5	H	-0.138
6	H	-0.142
7	H	-0.354
8	H	-0.242

	x	y	z	Total
	-0.996	0.834	-0.304	1.334
CHELPG
AIM
ESP

	x	y	z
x	6.622	0.045	-0.017
y	0.045	4.900	0.004
z	-0.017	0.004	5.242

<r²>	49.659
(<r²>)^1/2	7.047

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

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

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