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	hartrees
Energy at 0K	-154.335048
Energy at 298.15K	-154.340017
HF Energy	-154.335048
Nuclear repulsion energy	77.723565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3281	3133	15.58
2	A	3164	3021	18.57
3	A	3130	2988	21.27
4	A	3094	2954	44.28
5	A	3025	2888	49.12
6	A	1510	1442	14.37
7	A	1504	1436	4.41
8	A	1490	1423	6.47
9	A	1461	1395	3.01
10	A	1321	1261	145.63
11	A	1266	1208	19.00
12	A	1182	1128	1.35
13	A	1147	1095	4.63
14	A	1002	957	27.78
15	A	639	610	37.83
16	A	431	412	3.55
17	A	296	283	6.95
18	A	173	165	1.50

Atom	x (Å)	y (Å)	z (Å)
O1	0.089	-0.541	-0.043
C2	-1.126	0.167	0.015
C3	1.192	0.227	0.075
H4	-1.928	-0.554	-0.144
H5	-1.257	0.648	0.991
H6	-1.172	0.936	-0.767
H7	2.115	-0.328	-0.026
H8	1.131	1.263	-0.248

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4075	1.3484	2.0200	2.0721	2.0726	2.0369	2.0938
C2	1.4075		2.3188	1.0903	1.0959	1.0976	3.2786	2.5229
C3	1.3484	2.3188		3.2232	2.6477	2.6069	1.0820	1.0875
H4	2.0200	1.0903	3.2232		1.7841	1.7829	4.0511	3.5599
H5	2.0721	1.0959	2.6477	1.7841		1.7837	3.6544	2.7598
H6	2.0726	1.0976	2.6069	1.7829	1.7837		3.5984	2.3833
H7	2.0369	3.2786	1.0820	4.0511	3.6544	3.5984		1.8841
H8	2.0938	2.5229	1.0875	3.5599	2.7598	2.3833	1.8841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.263	O1	C2	H5	111.118
O1	C2	H6	111.056	O1	C3	H7	113.434
O1	C3	H8	118.143	C2	O1	C3	114.560
H4	C2	H5	109.389	H4	C2	H6	109.161
H5	C2	H6	108.816	H7	C3	H8	120.561

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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	-0.182
2	C	-0.279
3	C	-0.253
4	H	0.159
5	H	0.146
6	H	0.140
7	H	0.144
8	H	0.125

	x	y	z	Total
	-0.788	0.920	-0.277	1.243
CHELPG
AIM
ESP

	x	y	z
x	5.004	0.080	0.013
y	0.080	3.659	-0.096
z	0.013	-0.096	3.058

<r²>	48.018
(<r²>)^1/2	6.929

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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