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	hartrees
Energy at 0K	-154.330176
Energy at 298.15K	-154.335135
HF Energy	-154.330176
Nuclear repulsion energy	77.482799

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3286	3149	13.76
2	A	3176	3044	16.89
3	A	3126	2996	21.23
4	A	3099	2970	48.86
5	A	3025	2899	53.87
6	A	1490	1428	13.48
7	A	1479	1417	10.11
8	A	1464	1403	7.87
9	A	1439	1379	4.48
10	A	1320	1265	153.18
11	A	1253	1201	18.28
12	A	1164	1116	1.48
13	A	1134	1087	4.71
14	A	1002	960	30.64
15	A	614	588	38.99
16	A	430	412	3.61
17	A	298	285	6.37
18	A	177	169	1.58

Atom	x (Å)	y (Å)	z (Å)
O1	0.089	-0.543	-0.041
C2	-1.127	0.167	0.014
C3	1.194	0.227	0.073
H4	-1.934	-0.561	-0.127
H5	-1.253	0.668	0.988
H6	-1.182	0.926	-0.787
H7	2.123	-0.332	-0.033
H8	1.131	1.275	-0.239

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4095	1.3516	2.0252	2.0799	2.0807	2.0442	2.1049
C2	1.4095		2.3226	1.0962	1.1027	1.1042	3.2881	2.5278
C3	1.3516	2.3226		3.2321	2.6493	2.6214	1.0894	1.0954
H4	2.0252	1.0962	3.2321		1.7937	1.7926	4.0641	3.5748
H5	2.0799	1.1027	2.6493	1.7937		1.7947	3.6658	2.7490
H6	2.0807	1.1042	2.6214	1.7926	1.7947		3.6151	2.4020
H7	2.0442	3.2881	1.0894	4.0641	3.6658	3.6151		1.9001
H8	2.1049	2.5278	1.0954	3.5748	2.7490	2.4020	1.9001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.187	O1	C2	H5	111.195
O1	C2	H6	111.161	O1	C3	H7	113.310
O1	C3	H8	118.298	C2	O1	C3	114.516
H4	C2	H5	109.316	H4	C2	H6	109.107
H5	C2	H6	108.831	H7	C3	H8	120.849

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

using model chemistry: mPW1PW91/cc-pVDZ

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	-0.253
2	C	0.062
3	C	-0.030
4	H	0.055
5	H	0.044
6	H	0.041
7	H	0.046
8	H	0.033

	x	y	z	Total
	-0.823	0.935	-0.283	1.277
CHELPG
AIM
ESP

	x	y	z
x	5.019	0.071	-0.009
y	0.071	3.612	-0.100
z	-0.009	-0.100	3.001

<r²>	48.331
(<r²>)^1/2	6.952

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

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

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