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	hartrees
Energy at 0K	-154.326302
Energy at 298.15K	-154.331277
HF Energy	-154.326302
Nuclear repulsion energy	77.571899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3295	3135	19.64
2	A	3180	3026	20.64
3	A	3140	2988	24.40
4	A	3106	2955	50.57
5	A	3036	2889	53.05
6	A	1522	1448	16.54
7	A	1517	1443	3.13
8	A	1504	1431	6.23
9	A	1473	1401	4.69
10	A	1328	1263	152.64
11	A	1268	1207	17.06
12	A	1184	1126	1.12
13	A	1151	1095	5.21
14	A	1005	956	30.12
15	A	647	616	39.09
16	A	431	410	3.91
17	A	296	282	8.47
18	A	177	168	1.78

Atom	x (Å)	y (Å)	z (Å)
O1	0.089	-0.542	-0.045
C2	-1.129	0.168	0.016
C3	1.195	0.228	0.076
H4	-1.930	-0.554	-0.140
H5	-1.258	0.649	0.992
H6	-1.178	0.935	-0.768
H7	2.117	-0.331	-0.020
H8	1.139	1.262	-0.256

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4105	1.3527	2.0211	2.0751	2.0759	2.0388	2.0982
C2	1.4105		2.3251	1.0898	1.0957	1.0974	3.2836	2.5329
C3	1.3527	2.3251		3.2284	2.6519	2.6162	1.0820	1.0879
H4	2.0211	1.0898	3.2284		1.7833	1.7821	4.0545	3.5684
H5	2.0751	1.0957	2.6519	1.7833		1.7839	3.6566	2.7713
H6	2.0759	1.0974	2.6162	1.7821	1.7839		3.6082	2.3960
H7	2.0388	3.2836	1.0820	4.0545	3.6566	3.6082		1.8838
H8	2.0982	2.5329	1.0879	3.5684	2.7713	2.3960	1.8838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.171	O1	C2	H5	111.163
O1	C2	H6	111.114	O1	C3	H7	113.265
O1	C3	H8	118.157	C2	O1	C3	114.571
H4	C2	H5	109.364	H4	C2	H6	109.127
H5	C2	H6	108.859	H7	C3	H8	120.495

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

using model chemistry: mPW1PW91/6-31G**

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	-0.417
2	C	-0.142
3	C	-0.085
4	H	0.149
5	H	0.136
6	H	0.127
7	H	0.128
8	H	0.106

	x	y	z	Total
	-0.807	1.041	-0.276	1.345
CHELPG
AIM
ESP

	x	y	z
x	4.813	0.099	0.017
y	0.099	3.520	-0.117
z	0.017	-0.117	2.805

<r²>	48.183
(<r²>)^1/2	6.941

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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