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	hartrees
Energy at 0K	-29.521261
Energy at 298.15K	-29.526404
HF Energy	-29.521261
Nuclear repulsion energy	45.369214

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3389	3061	39.70
2	A	3305	2986	50.87
3	A	3244	2931	43.50
4	A	3242	2929	88.77
5	A	3176	2869	70.16
6	A	1638	1480	8.54
7	A	1631	1473	5.79
8	A	1628	1471	2.32
9	A	1584	1431	19.24
10	A	1383	1249	122.51
11	A	1363	1231	155.60
12	A	1283	1159	5.61
13	A	1226	1108	18.95
14	A	1053	952	38.78
15	A	868	785	19.05
16	A	453	409	3.83
17	A	287	259	13.58
18	A	194	176	2.04

Atom	x (Å)	y (Å)	z (Å)
O1	0.085	-0.536	-0.060
C2	-1.132	0.169	0.022
C3	1.200	0.228	0.090
H4	-1.928	-0.547	-0.143
H5	-1.253	0.624	1.003
H6	-1.185	0.944	-0.741
H7	2.111	-0.342	0.015
H8	1.173	1.227	-0.328

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4089	1.3595	2.0145	2.0651	2.0655	2.0364	2.0882
C2	1.4089		2.3339	1.0826	1.0875	1.0893	3.2831	2.5602
C3	1.3595	2.3339		3.2305	2.6470	2.6250	1.0771	1.0829
H4	2.0145	1.0826	3.2305		1.7712	1.7701	4.0468	3.5766
H5	2.0651	1.0875	2.6470	1.7712		1.7739	3.6365	2.8315
H6	2.0655	1.0893	2.6250	1.7701	1.7739		3.6176	2.4102
H7	2.0364	3.2831	1.0771	4.0468	3.6365	3.6176		1.8595
H8	2.0882	2.5602	1.0829	3.5766	2.8315	2.4102	1.8595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.181	O1	C2	H5	110.976
O1	C2	H6	110.901	O1	C3	H7	112.875
O1	C3	H8	117.057	C2	O1	C3	114.912
H4	C2	H5	109.406	H4	C2	H6	109.178
H5	C2	H6	109.155	H7	C3	H8	118.831

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

using model chemistry: HF/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	-0.336
2	C	-0.271
3	C	-0.179
4	H	0.179
5	H	0.157
6	H	0.148
7	H	0.168
8	H	0.133

	x	y	z	Total
	-0.612	1.251	-0.276	1.420
CHELPG
AIM
ESP

	x	y	z
x	4.409	0.070	-0.009
y	0.070	3.566	-0.110
z	-0.009	-0.110	3.198

<r²>	42.224
(<r²>)^1/2	6.498

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

using model chemistry: HF/CEP-121G*

States and conformations

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