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	hartrees
Energy at 0K	-154.364531
Energy at 298.15K	-154.369416
HF Energy	-154.364531
Nuclear repulsion energy	77.603238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3264	3139	12.26
2	A	3137	3017	18.23
3	A	3116	2996	20.82
4	A	3065	2948	45.89
5	A	3005	2889	53.72
6	A	1499	1442	16.67
7	A	1491	1434	3.56
8	A	1481	1424	7.75
9	A	1451	1395	1.70
10	A	1301	1251	146.43
11	A	1252	1204	20.60
12	A	1169	1124	1.76
13	A	1135	1092	5.11
14	A	980	942	32.09
15	A	546	525	49.51
16	A	426	409	3.68
17	A	289	278	4.60
18	A	164	157	1.87

Atom	x (Å)	y (Å)	z (Å)
O1	0.090	-0.541	-0.036
C2	-1.131	0.168	0.012
C3	1.196	0.225	0.064
H4	-1.930	-0.560	-0.117
H5	-1.251	0.674	0.975
H6	-1.184	0.909	-0.792
H7	2.121	-0.324	-0.029
H8	1.128	1.274	-0.207

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4131	1.3493	2.0226	2.0729	2.0738	2.0424	2.0980
C2	1.4131		2.3286	1.0882	1.0942	1.0955	3.2894	2.5253
C3	1.3493	2.3286		3.2287	2.6492	2.6200	1.0798	1.0850
H4	2.0226	1.0882	3.2287		1.7817	1.7809	4.0595	3.5673
H5	2.0729	1.0942	2.6492	1.7817		1.7837	3.6568	2.7233
H6	2.0738	1.0955	2.6200	1.7809	1.7837		3.6093	2.4126
H7	2.0424	3.2894	1.0798	4.0595	3.6568	3.6093		1.8896
H8	2.0980	2.5253	1.0850	3.5673	2.7233	2.4126	1.8896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.207	O1	C2	H5	110.886
O1	C2	H6	110.883	O1	C3	H7	113.989
O1	C3	H8	118.651	C2	O1	C3	114.883
H4	C2	H5	109.449	H4	C2	H6	109.286
H5	C2	H6	109.094	H7	C3	H8	121.588

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

using model chemistry: B3PW91/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	-0.189
2	C	-0.066
3	C	-0.150
4	H	0.098
5	H	0.070
6	H	0.065
7	H	0.103
8	H	0.068

	x	y	z	Total
	-0.866	0.927	-0.281	1.299
CHELPG
AIM
ESP

	x	y	z
x	5.504	0.053	-0.014
y	0.053	4.080	-0.055
z	-0.014	-0.055	3.729

<r²>	48.439
(<r²>)^1/2	6.960

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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