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	hartrees
Energy at 0K	-154.345293
Energy at 298.15K	-154.349880
HF Energy	-154.345293
Nuclear repulsion energy	75.725763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3328	3199	17.09
2	A	3183	3060	26.68
3	A	3150	3029	27.06
4	A	3112	2992	62.60
5	A	3026	2909	61.19
6	A	1513	1454	16.20
7	A	1506	1447	13.28
8	A	1491	1434	2.66
9	A	1456	1399	0.71
10	A	1250	1201	119.53
11	A	1221	1174	19.75
12	A	1144	1100	0.17
13	A	1108	1065	9.85
14	A	901	866	24.79
15	A	407	392	42.60
16	A	397	381	77.68
17	A	250	240	5.17
18	A	130	125	7.51

Atom	x (Å)	y (Å)	z (Å)
O1	0.092	-0.545	-0.032
C2	-1.177	0.173	0.012
C3	1.244	0.227	0.045
H4	-1.957	-0.580	-0.121
H5	-1.302	0.675	0.981
H6	-1.233	0.914	-0.798
H7	2.161	-0.347	0.011
H8	1.194	1.295	-0.163

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4588	1.3891	2.0512	2.1112	2.1153	2.0786	2.1492
C2	1.4588		2.4217	1.0921	1.0984	1.1000	3.3780	2.6293
C3	1.3891	2.4217		3.3052	2.7488	2.7056	1.0824	1.0890
H4	2.0512	1.0921	3.3052		1.7941	1.7932	4.1264	3.6671
H5	2.1112	1.0984	2.7488	1.7941		1.7969	3.7380	2.8150
H6	2.1153	1.1000	2.7056	1.7932	1.7969		3.7104	2.5381
H7	2.0786	3.3780	1.0824	4.1264	3.7380	3.7104		1.9133
H8	2.1492	2.6293	1.0890	3.6671	2.8150	2.5381	1.9133

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.156	O1	C2	H5	110.507
O1	C2	H6	110.743	O1	C3	H7	113.924
O1	C3	H8	119.801	C2	O1	C3	116.478
H4	C2	H5	109.968	H4	C2	H6	109.772
H5	C2	H6	109.643	H7	C3	H8	123.556

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

using model chemistry: B3LYP/SDD

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	-0.259
2	C	-0.437
3	C	-0.333
4	H	0.228
5	H	0.211
6	H	0.199
7	H	0.210
8	H	0.182

	x	y	z	Total
	-1.083	1.565	-0.247	1.919
CHELPG
AIM
ESP

	x	y	z
x	4.728	0.224	0.058
y	0.224	3.270	-0.037
z	0.058	-0.037	2.631

<r²>	50.445
(<r²>)^1/2	7.102

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

using model chemistry: B3LYP/SDD

States and conformations

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