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	hartrees
Energy at 0K	-30.169616
Energy at 298.15K	-30.174371
HF Energy	-30.169616
Nuclear repulsion energy	44.170428

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3253	3170	24.57
2	A	3133	3053	28.07
3	A	3069	2991	29.57
4	A	3059	2981	69.64
5	A	2972	2896	65.38
6	A	1506	1468	13.59
7	A	1499	1460	10.33
8	A	1484	1446	1.22
9	A	1447	1410	4.21
10	A	1232	1200	74.39
11	A	1214	1183	79.53
12	A	1143	1114	1.33
13	A	1104	1076	13.88
14	A	898	875	27.70
15	A	494	481	69.87
16	A	400	390	5.99
17	A	269	263	6.42
18	A	154	150	3.59

Atom	x (Å)	y (Å)	z (Å)
O1	0.092	-0.550	-0.042
C2	-1.181	0.175	0.016
C3	1.248	0.232	0.061
H4	-1.964	-0.571	-0.140
H5	-1.306	0.652	0.998
H6	-1.228	0.937	-0.777
H7	2.164	-0.347	0.015
H8	1.198	1.286	-0.221

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4660	1.3996	2.0579	2.1166	2.1194	2.0834	2.1503
C2	1.4660		2.4303	1.0921	1.0986	1.1007	3.3860	2.6359
C3	1.3996	2.4303		3.3166	2.7528	2.7073	1.0847	1.0920
H4	2.0579	1.0921	3.3166		1.7951	1.7942	4.1371	3.6668
H5	2.1166	1.0986	2.7528	1.7951		1.7992	3.7426	2.8558
H6	2.1194	1.1007	2.7073	1.7942	1.7992		3.7125	2.5126
H7	2.0834	3.3860	1.0847	4.1371	3.7426	3.7125		1.9118
H8	2.1503	2.6359	1.0920	3.6668	2.8558	2.5126	1.9118

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.195	O1	C2	H5	110.419
O1	C2	H6	110.518	O1	C3	H7	113.384
O1	C3	H8	118.798	C2	O1	C3	115.992
H4	C2	H5	110.052	H4	C2	H6	109.817
H5	C2	H6	109.783	H7	C3	H8	122.882

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

using model chemistry: B3LYP/CEP-121G

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	-0.225
2	C	-0.317
3	C	-0.190
4	H	0.177
5	H	0.158
6	H	0.149
7	H	0.142
8	H	0.107

	x	y	z	Total
	-0.990	1.464	-0.276	1.789
CHELPG
AIM
ESP

	x	y	z
x	5.314	0.168	0.005
y	0.168	3.830	-0.064
z	0.005	-0.064	3.332

<r²>	44.221
(<r²>)^1/2	6.650

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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