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	hartrees
Energy at 0K	-154.202400
Energy at 298.15K	-154.207333
HF Energy	-154.202400
Nuclear repulsion energy	76.977732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3175	3142	23.00
2	A	3077	3045	22.82
3	A	3019	2988	29.50
4	A	2988	2957	64.99
5	A	2929	2898	63.62
6	A	1470	1454	16.73
7	A	1457	1442	4.27
8	A	1450	1435	7.83
9	A	1417	1403	1.47
10	A	1254	1241	106.72
11	A	1222	1209	24.18
12	A	1139	1127	1.10
13	A	1114	1103	5.45
14	A	945	935	33.60
15	A	613	607	48.18
16	A	423	418	3.57
17	A	305	301	7.66
18	A	182	180	1.82

Atom	x (Å)	y (Å)	z (Å)
O1	0.092	-0.548	-0.042
C2	-1.138	0.170	0.014
C3	1.202	0.232	0.078
H4	-1.941	-0.565	-0.122
H5	-1.255	0.672	0.990
H6	-1.191	0.926	-0.791
H7	2.127	-0.333	-0.038
H8	1.138	1.275	-0.254

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4254	1.3619	2.0346	2.0907	2.0926	2.0466	2.1127
C2	1.4254		2.3416	1.0970	1.1039	1.1058	3.3043	2.5444
C3	1.3619	2.3416		3.2486	2.6578	2.6387	1.0905	1.0970
H4	2.0346	1.0970	3.2486		1.7995	1.7980	4.0758	3.5894
H5	2.0907	1.1039	2.6578	1.7995		1.8003	3.6757	2.7641
H6	2.0926	1.1058	2.6387	1.7980	1.8003		3.6281	2.4152
H7	2.0466	3.3043	1.0905	4.0758	3.6757	3.6281		1.9008
H8	2.1127	2.5444	1.0970	3.5894	2.7641	2.4152	1.9008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.816	O1	C2	H5	110.863
O1	C2	H6	110.898	O1	C3	H7	112.673
O1	C3	H8	118.051	C2	O1	C3	114.289
H4	C2	H5	109.694	H4	C2	H6	109.421
H5	C2	H6	109.115	H7	C3	H8	120.668

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

using model chemistry: PBEPBE/6-311G*

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	-0.219
2	C	-0.469
3	C	-0.342
4	H	0.225
5	H	0.212
6	H	0.208
7	H	0.204
8	H	0.182

	x	y	z	Total
	-0.914	0.900	-0.365	1.333
CHELPG
AIM
ESP

	x	y	z
x	5.350	0.082	-0.028
y	0.082	3.847	-0.096
z	-0.028	-0.096	3.376

<r²>	49.059
(<r²>)^1/2	7.004

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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