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	hartrees
Energy at 0K	-154.173072
Energy at 298.15K	-154.177968
HF Energy	-154.173072
Nuclear repulsion energy	76.777167

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3186	3168	15.12
2	A	3078	3060	15.74
3	A	3025	3007	21.18
4	A	2987	2970	53.75
5	A	2922	2905	60.18
6	A	1429	1421	10.60
7	A	1419	1410	8.86
8	A	1401	1393	7.52
9	A	1381	1373	2.95
10	A	1256	1249	115.17
11	A	1202	1195	16.13
12	A	1113	1107	1.06
13	A	1092	1085	3.43
14	A	951	945	30.42
15	A	578	575	40.62
16	A	420	417	3.46
17	A	302	300	5.19
18	A	178	177	1.35

Atom	x (Å)	y (Å)	z (Å)
O1	0.091	-0.551	-0.038
C2	-1.136	0.170	0.012
C3	1.203	0.232	0.074
H4	-1.950	-0.568	-0.116
H5	-1.257	0.689	0.989
H6	-1.193	0.925	-0.805
H7	2.137	-0.333	-0.047
H8	1.132	1.290	-0.235

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4245	1.3643	2.0430	2.1007	2.1018	2.0574	2.1249
C2	1.4245		2.3406	1.1058	1.1131	1.1146	3.3123	2.5425
C3	1.3643	2.3406		3.2582	2.6638	2.6442	1.0988	1.1052
H4	2.0430	1.1058	3.2582		1.8116	1.8109	4.0946	3.6014
H5	2.1007	1.1131	2.6638	1.8116		1.8105	3.6932	2.7512
H6	2.1018	1.1146	2.6442	1.8109	1.8105		3.6394	2.4215
H7	2.0574	3.3123	1.0988	4.0946	3.6932	3.6394		1.9185
H8	2.1249	2.5425	1.1052	3.6014	2.7512	2.4215	1.9185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.016	O1	C2	H5	111.165
O1	C2	H6	111.150	O1	C3	H7	112.852
O1	C3	H8	118.356	C2	O1	C3	114.107
H4	C2	H5	109.463	H4	C2	H6	109.285
H5	C2	H6	108.727	H7	C3	H8	121.036

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

using model chemistry: PBEPBE/cc-pVDZ

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	-0.196
2	C	0.061
3	C	-0.037
4	H	0.047
5	H	0.037
6	H	0.034
7	H	0.033
8	H	0.021

	x	y	z	Total
	-0.892	0.797	-0.309	1.235
CHELPG
AIM
ESP

	x	y	z
x	5.437	0.054	-0.026
y	0.054	3.803	-0.105
z	-0.026	-0.105	3.143

<r²>	49.095
(<r²>)^1/2	7.007

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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