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	hartrees
Energy at 0K	-154.302330
Energy at 298.15K	-154.307309
HF Energy	-154.302330
Nuclear repulsion energy	77.403798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3277	3135	23.28
2	A	3168	3031	22.29
3	A	3125	2989	26.97
4	A	3092	2958	54.16
5	A	3026	2895	54.53
6	A	1528	1462	15.11
7	A	1519	1454	3.36
8	A	1512	1447	4.90
9	A	1475	1411	5.59
10	A	1316	1259	146.40
11	A	1265	1210	18.05
12	A	1182	1131	1.13
13	A	1151	1101	5.46
14	A	993	950	30.83
15	A	669	640	39.87
16	A	430	411	3.92
17	A	300	287	9.35
18	A	178	170	1.79

Atom	x (Å)	y (Å)	z (Å)
O1	0.089	-0.542	-0.046
C2	-1.132	0.168	0.016
C3	1.197	0.229	0.080
H4	-1.932	-0.557	-0.147
H5	-1.262	0.643	0.997
H6	-1.179	0.942	-0.764
H7	2.118	-0.335	-0.022
H8	1.145	1.261	-0.269

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4142	1.3556	2.0239	2.0786	2.0800	2.0396	2.1008
C2	1.4142		2.3308	1.0920	1.0978	1.0998	3.2890	2.5410
C3	1.3556	2.3308		3.2343	2.6573	2.6208	1.0843	1.0905
H4	2.0239	1.0920	3.2343		1.7885	1.7869	4.0582	3.5754
H5	2.0786	1.0978	2.6573	1.7885		1.7886	3.6633	2.7883
H6	2.0800	1.0998	2.6208	1.7869	1.7886		3.6130	2.3975
H7	2.0396	3.2890	1.0843	4.0582	3.6633	3.6130		1.8852
H8	2.1008	2.5410	1.0905	3.5754	2.7883	2.3975	1.8852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.012	O1	C2	H5	111.055
O1	C2	H6	111.038	O1	C3	H7	112.958
O1	C3	H8	117.966	C2	O1	C3	114.582
H4	C2	H5	109.519	H4	C2	H6	109.225
H5	C2	H6	108.953	H7	C3	H8	120.188

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

using model chemistry: B3PW91/6-31G*

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	-0.388
2	C	-0.267
3	C	-0.174
4	H	0.187
5	H	0.173
6	H	0.163
7	H	0.165
8	H	0.141

	x	y	z	Total
	-0.825	1.016	-0.303	1.343
CHELPG
AIM
ESP

	x	y	z
x	4.803	0.105	0.019
y	0.105	3.498	-0.124
z	0.019	-0.124	2.772

<r²>	48.355
(<r²>)^1/2	6.954

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

using model chemistry: B3PW91/6-31G*

States and conformations

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