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	hartrees
Energy at 0K	-154.430967
Energy at 298.15K	-154.435812
HF Energy	-154.430967
Nuclear repulsion energy	77.369303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3263	3157	9.14
2	A	3130	3028	16.94
3	A	3117	3016	20.10
4	A	3059	2960	43.49
5	A	3004	2907	54.62
6	A	1503	1454	16.54
7	A	1494	1445	4.94
8	A	1489	1441	6.43
9	A	1457	1410	1.90
10	A	1283	1242	145.34
11	A	1247	1207	36.48
12	A	1169	1131	2.10
13	A	1134	1097	7.58
14	A	954	923	34.82
15	A	512	496	54.59
16	A	429	415	4.30
17	A	290	280	3.48
18	A	155	150	2.29

Atom	x (Å)	y (Å)	z (Å)
O1	0.092	-0.540	-0.033
C2	-1.141	0.168	0.011
C3	1.204	0.225	0.059
H4	-1.932	-0.565	-0.122
H5	-1.261	0.669	0.975
H6	-1.189	0.909	-0.792
H7	2.127	-0.326	-0.027
H8	1.137	1.276	-0.192

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4221	1.3521	2.0262	2.0756	2.0771	2.0454	2.1003
C2	1.4221		2.3457	1.0866	1.0926	1.0936	3.3044	2.5407
C3	1.3521	2.3457		3.2386	2.6668	2.6302	1.0778	1.0828
H4	2.0262	1.0866	3.2386		1.7818	1.7810	4.0665	3.5790
H5	2.0756	1.0926	2.6668	1.7818		1.7841	3.6700	2.7349
H6	2.0771	1.0936	2.6302	1.7810	1.7841		3.6197	2.4297
H7	2.0454	3.3044	1.0778	4.0665	3.6700	3.6197		1.8899
H8	2.1003	2.5407	1.0828	3.5790	2.7349	2.4297	1.8899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.971	O1	C2	H5	110.569
O1	C2	H6	110.632	O1	C3	H7	114.182
O1	C3	H8	118.799	C2	O1	C3	115.434
H4	C2	H5	109.696	H4	C2	H6	109.553
H5	C2	H6	109.386	H7	C3	H8	122.024

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

using model chemistry: B3LYP/aug-cc-pVTZ

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	-0.318
2	C	-0.474
3	C	-0.713
4	H	0.272
5	H	0.245
6	H	0.255
7	H	0.392
8	H	0.342

	x	y	z	Total
	-0.966	0.927	-0.288	1.369
CHELPG
AIM
ESP

	x	y	z
x	6.206	0.066	0.003
y	0.066	4.690	0.005
z	0.003	0.005	4.836

<r²>	49.065
(<r²>)^1/2	7.005

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

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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