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	hartrees
Energy at 0K	-154.253365
Energy at 298.15K	-154.258267
HF Energy	-154.253365
Nuclear repulsion energy	77.745826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3277	3149	11.92
2	A	3149	3027	17.98
3	A	3127	3005	20.54
4	A	3077	2957	45.36
5	A	3015	2898	52.78
6	A	1503	1444	17.58
7	A	1494	1436	4.36
8	A	1483	1426	8.39
9	A	1454	1397	1.41
10	A	1313	1262	151.68
11	A	1258	1209	19.36
12	A	1174	1128	1.77
13	A	1140	1095	4.93
14	A	993	954	31.84
15	A	548	527	48.80
16	A	431	414	3.78
17	A	292	280	4.64
18	A	166	159	1.85

Atom	x (Å)	y (Å)	z (Å)
O1	0.090	-0.542	-0.036
C2	-1.127	0.167	0.012
C3	1.193	0.225	0.064
H4	-1.929	-0.557	-0.117
H5	-1.246	0.674	0.975
H6	-1.178	0.910	-0.791
H7	2.119	-0.321	-0.027
H8	1.122	1.273	-0.207

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4095	1.3467	2.0206	2.0699	2.0704	2.0410	2.0948
C2	1.4095		2.3211	1.0880	1.0941	1.0954	3.2831	2.5159
C3	1.3467	2.3211		3.2230	2.6418	2.6116	1.0796	1.0849
H4	2.0206	1.0880	3.2230		1.7813	1.7804	4.0558	3.5588
H5	2.0699	1.0941	2.6418	1.7813		1.7830	3.6497	2.7137
H6	2.0704	1.0954	2.6116	1.7804	1.7830		3.6017	2.4006
H7	2.0410	3.2831	1.0796	4.0558	3.6497	3.6017		1.8894
H8	2.0948	2.5159	1.0849	3.5588	2.7137	2.4006	1.8894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.306	O1	C2	H5	110.909
O1	C2	H6	110.868	O1	C3	H7	114.083
O1	C3	H8	118.574	C2	O1	C3	114.714
H4	C2	H5	109.431	H4	C2	H6	109.256
H5	C2	H6	109.036	H7	C3	H8	121.603

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

using model chemistry: HSEh1PBE/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	-0.182
2	C	-0.088
3	C	-0.158
4	H	0.106
5	H	0.075
6	H	0.070
7	H	0.109
8	H	0.070

	x	y	z	Total
	-0.842	0.925	-0.277	1.281
CHELPG
AIM
ESP

	x	y	z
x	5.471	0.050	-0.016
y	0.050	4.070	-0.057
z	-0.016	-0.057	3.724

<r²>	48.309
(<r²>)^1/2	6.950

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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