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	hartrees
Energy at 0K	-152.312224
Energy at 298.15K	-152.317132
HF Energy	-152.312224
Nuclear repulsion energy	75.728259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3533	3120	3.71
2	A	3488	3080	0.43
3	A	3446	3043	4.01
4	A	3338	2947	1.26
5	A	3288	2903	7.78
6	A	1660	1466	8.14
7	A	1646	1453	5.14
8	A	1616	1427	5.70
9	A	1570	1386	18.07
10	A	1350	1192	56.40
11	A	1307	1154	3.39
12	A	1181	1043	1.04
13	A	1171	1034	3.14
14	A	1038	917	1.63
15	A	791	699	21.26
16	A	460	406	2.30
17	A	347	307	6.35
18	A	162	143	1.13

Atom	x (Å)	y (Å)	z (Å)
O1	0.098	-0.592	-0.044
C2	-1.143	0.184	0.013
C3	1.203	0.256	0.097
H4	-1.967	-0.515	-0.207
H5	-1.302	0.622	1.017
H6	-1.149	1.000	-0.734
H7	2.145	-0.284	-0.070
H8	1.125	1.274	-0.313

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4646	1.4003	2.0731	2.1356	2.1368	2.0702	2.1471
C2	1.4646		2.3487	1.1029	1.1064	1.1065	3.3217	2.5370
C3	1.4003	2.3487		3.2769	2.6940	2.6035	1.0978	1.1008
H4	2.0731	1.1029	3.2769		1.7979	1.8002	4.1209	3.5736
H5	2.1356	1.1064	2.6940	1.7979		1.7973	3.7260	2.8430
H6	2.1368	1.1065	2.6035	1.8002	1.7973		3.5971	2.3285
H7	2.0702	3.3217	1.0978	4.1209	3.7260	3.5971		1.8781
H8	2.1471	2.5370	1.1008	3.5736	2.8430	2.3285	1.8781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.844	O1	C2	H5	111.575
O1	C2	H6	111.664	O1	C3	H7	111.354
O1	C3	H8	117.795	C2	O1	C3	110.110
H4	C2	H5	108.933	H4	C2	H6	109.136
H5	C2	H6	108.624	H7	C3	H8	117.351

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

using model chemistry: B1B95/STO-3G

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	-0.160
2	C	-0.127
3	C	-0.101
4	H	0.094
5	H	0.090
6	H	0.085
7	H	0.064
8	H	0.054

	x	y	z	Total
	-0.932	0.888	-0.342	1.332
CHELPG
AIM
ESP

	x	y	z
x	3.154	0.146	0.072
y	0.146	1.805	-0.033
z	0.072	-0.033	1.188

<r²>	48.829
(<r²>)^1/2	6.988

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

using model chemistry: B1B95/STO-3G

States and conformations

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