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	hartrees
Energy at 0K	-154.366241
Energy at 298.15K	-154.371064
HF Energy	-154.366241
Nuclear repulsion energy	76.626501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3179	3169	15.56
2	A	3053	3044	19.90
3	A	3032	3023	22.17
4	A	2974	2965	53.33
5	A	2925	2916	57.98
6	A	1465	1460	11.58
7	A	1452	1448	3.31
8	A	1448	1443	5.47
9	A	1417	1413	2.40
10	A	1229	1225	62.51
11	A	1201	1197	67.69
12	A	1131	1127	1.82
13	A	1100	1097	7.06
14	A	901	898	33.41
15	A	528	527	48.78
16	A	418	417	3.74
17	A	289	288	4.08
18	A	163	162	1.76

Atom	x (Å)	y (Å)	z (Å)
O1	0.094	-0.548	-0.034
C2	-1.152	0.171	0.011
C3	1.215	0.230	0.066
H4	-1.946	-0.570	-0.110
H5	-1.267	0.687	0.975
H6	-1.205	0.907	-0.805
H7	2.139	-0.328	-0.042
H8	1.147	1.283	-0.207

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4391	1.3679	2.0422	2.0967	2.0978	2.0567	2.1190
C2	1.4391		2.3680	1.0931	1.0995	1.1007	3.3287	2.5626
C3	1.3679	2.3680		3.2657	2.6828	2.6596	1.0847	1.0899
H4	2.0422	1.0931	3.2657		1.7939	1.7930	4.0932	3.6070
H5	2.0967	1.0995	2.6828	1.7939		1.7949	3.6968	2.7528
H6	2.0978	1.1007	2.6596	1.7930	1.7949		3.6457	2.4557
H7	2.0567	3.3287	1.0847	4.0932	3.6968	3.6457		1.8993
H8	2.1190	2.5626	1.0899	3.6070	2.7528	2.4557	1.8993

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.710	O1	C2	H5	110.654
O1	C2	H6	110.671	O1	C3	H7	113.477
O1	C3	H8	118.692	C2	O1	C3	115.027
H4	C2	H5	109.801	H4	C2	H6	109.629
H5	C2	H6	109.340	H7	C3	H8	121.715

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

using model chemistry: BLYP/cc-pVTZ

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	-0.192
2	C	-0.067
3	C	-0.136
4	H	0.101
5	H	0.071
6	H	0.069
7	H	0.096
8	H	0.058

	x	y	z	Total
	-0.952	0.870	-0.297	1.323
CHELPG
AIM
ESP

	x	y	z
x	5.918	0.038	-0.034
y	0.038	4.279	-0.063
z	-0.034	-0.063	3.893

<r²>	49.683
(<r²>)^1/2	7.049

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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