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	hartrees
Energy at 0K	-153.471360
Energy at 298.15K	-153.476246
HF Energy	-153.471360
Nuclear repulsion energy	76.095877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3299	3133	19.26
2	A	3182	3022	15.97
3	A	3138	2980	17.28
4	A	3109	2953	45.50
5	A	3044	2891	38.42
6	A	1573	1493	13.72
7	A	1556	1478	10.47
8	A	1526	1449	2.95
9	A	1483	1408	3.51
10	A	1254	1191	101.20
11	A	1234	1172	27.61
12	A	1164	1105	0.37
13	A	1124	1068	6.04
14	A	934	887	19.77
15	A	584	555	61.26
16	A	415	394	5.63
17	A	287	272	11.09
18	A	175	166	2.65

Atom	x (Å)	y (Å)	z (Å)
O1	0.092	-0.556	-0.047
C2	-1.161	0.176	0.018
C3	1.225	0.236	0.070
H4	-1.948	-0.555	-0.169
H5	-1.301	0.630	1.005
H6	-1.200	0.962	-0.746
H7	2.144	-0.330	0.018
H8	1.183	1.271	-0.258

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4527	1.3863	2.0439	2.1099	2.1125	2.0648	2.1381
C2	1.4527		2.3871	1.0897	1.0950	1.0975	3.3434	2.6021
C3	1.3863	2.3871		3.2782	2.7217	2.6591	1.0804	1.0869
H4	2.0439	1.0897	3.2782		1.7884	1.7875	4.1021	3.6255
H5	2.1099	1.0950	2.7217	1.7884		1.7853	3.7094	2.8591
H6	2.1125	1.0975	2.6591	1.7875	1.7853		3.6649	2.4517
H7	2.0648	3.3434	1.0804	4.1021	3.7094	3.6649		1.8875
H8	2.1381	2.6021	1.0869	3.6255	2.8591	2.4517	1.8875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.129	O1	C2	H5	111.034
O1	C2	H6	111.099	O1	C3	H7	113.078
O1	C3	H8	119.159	C2	O1	C3	114.432
H4	C2	H5	109.883	H4	C2	H6	109.623
H5	C2	H6	109.035	H7	C3	H8	121.130

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

using model chemistry: mPW1PW91/3-21G*

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	-0.482
2	C	-0.378
3	C	-0.203
4	H	0.238
5	H	0.221
6	H	0.209
7	H	0.212
8	H	0.182

	x	y	z	Total
	-0.916	1.298	-0.284	1.614
CHELPG
AIM
ESP

	x	y	z
x	4.654	0.137	0.054
y	0.137	3.189	-0.122
z	0.054	-0.122	2.342

<r²>	49.687
(<r²>)^1/2	7.049

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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