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	hartrees
Energy at 0K	-154.119830
Energy at 298.15K	-154.124589
HF Energy	-154.119830
Nuclear repulsion energy	75.584590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3252	3207	18.83
2	A	3121	3078	16.02
3	A	3079	3036	19.12
4	A	3033	2991	53.53
5	A	2957	2917	50.95
6	A	1492	1472	13.42
7	A	1479	1458	11.31
8	A	1462	1442	2.24
9	A	1428	1408	1.61
10	A	1211	1194	45.10
11	A	1190	1173	60.47
12	A	1120	1105	0.26
13	A	1088	1073	7.38
14	A	882	869	22.50
15	A	506	499	66.58
16	A	407	401	5.11
17	A	281	277	6.63
18	A	161	159	2.80

Atom	x (Å)	y (Å)	z (Å)
O1	0.094	-0.556	-0.040
C2	-1.172	0.176	0.015
C3	1.236	0.235	0.064
H4	-1.960	-0.572	-0.141
H5	-1.298	0.662	0.999
H6	-1.217	0.942	-0.783
H7	2.158	-0.340	-0.003
H8	1.181	1.291	-0.223

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4628	1.3934	2.0567	2.1206	2.1239	2.0757	2.1508
C2	1.4628		2.4092	1.0976	1.1045	1.1066	3.3692	2.6149
C3	1.3934	2.4092		3.3032	2.7342	2.6891	1.0882	1.0951
H4	2.0567	1.0976	3.3032		1.8052	1.8044	4.1271	3.6533
H5	2.1206	1.1045	2.7342	1.8052		1.8049	3.7342	2.8345
H6	2.1239	1.1066	2.6891	1.8044	1.8049		3.6927	2.4870
H7	2.0757	3.3692	1.0882	4.1271	3.7342	3.6927		1.9129
H8	2.1508	2.6149	1.0951	3.6533	2.8345	2.4870	1.9129

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.008	O1	C2	H5	110.604
O1	C2	H6	110.748	O1	C3	H7	112.959
O1	C3	H8	119.125	C2	O1	C3	115.002
H4	C2	H5	110.119	H4	C2	H6	109.892
H5	C2	H6	109.426	H7	C3	H8	122.367

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

using model chemistry: PBEPBE/6-31G

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	-0.429
2	C	-0.233
3	C	-0.119
4	H	0.182
5	H	0.168
6	H	0.157
7	H	0.149
8	H	0.125

	x	y	z	Total
	-0.986	1.292	-0.282	1.649
CHELPG
AIM
ESP

	x	y	z
x	5.125	0.139	0.030
y	0.139	3.543	-0.100
z	0.030	-0.100	2.648

<r²>	50.398
(<r²>)^1/2	7.099

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

using model chemistry: PBEPBE/6-31G

States and conformations

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