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	hartrees
Energy at 0K	-154.339257
Energy at 298.15K	-154.344240
HF Energy	-154.339257
Nuclear repulsion energy	77.536210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3253	3132	22.17
2	A	3151	3033	24.67
3	A	3099	2983	29.32
4	A	3072	2957	60.92
5	A	3009	2897	59.43
6	A	1517	1460	18.36
7	A	1508	1452	3.78
8	A	1500	1444	7.80
9	A	1465	1411	2.35
10	A	1305	1257	143.81
11	A	1265	1217	22.93
12	A	1181	1137	1.40
13	A	1150	1107	6.88
14	A	986	949	34.44
15	A	642	618	46.75
16	A	430	414	3.69
17	A	302	290	8.67
18	A	181	175	2.04

Atom	x (Å)	y (Å)	z (Å)
O1	0.090	-0.540	-0.044
C2	-1.131	0.168	0.015
C3	1.196	0.228	0.077
H4	-1.929	-0.561	-0.125
H5	-1.251	0.660	0.987
H6	-1.186	0.923	-0.780
H7	2.116	-0.334	-0.027
H8	1.139	1.263	-0.255

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4129	1.3517	2.0207	2.0742	2.0759	2.0363	2.0971
C2	1.4129		2.3289	1.0895	1.0958	1.0975	3.2860	2.5356
C3	1.3517	2.3289		3.2292	2.6467	2.6252	1.0829	1.0891
H4	2.0207	1.0895	3.2292		1.7849	1.7835	4.0523	3.5721
H5	2.0742	1.0958	2.6467	1.7849		1.7871	3.6544	2.7608
H6	2.0759	1.0975	2.6252	1.7835	1.7871		3.6126	2.4084
H7	2.0363	3.2860	1.0829	4.0523	3.6544	3.6126		1.8864
H8	2.0971	2.5356	1.0891	3.5721	2.7608	2.4084	1.8864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.997	O1	C2	H5	110.917
O1	C2	H6	110.946	O1	C3	H7	113.058
O1	C3	H8	118.056	C2	O1	C3	114.771
H4	C2	H5	109.532	H4	C2	H6	109.276
H5	C2	H6	109.134	H7	C3	H8	120.572

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

using model chemistry: B3PW91/6-311G*

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	-0.260
2	C	-0.462
3	C	-0.337
4	H	0.229
5	H	0.216
6	H	0.211
7	H	0.213
8	H	0.190

	x	y	z	Total
	-0.864	1.009	-0.342	1.372
CHELPG
AIM
ESP

	x	y	z
x	4.992	0.099	-0.009
y	0.099	3.669	-0.089
z	-0.009	-0.089	3.221

<r²>	48.433
(<r²>)^1/2	6.959

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

using model chemistry: B3PW91/6-311G*

States and conformations

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