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	hartrees
Energy at 0K	-153.344033
Energy at 298.15K	-153.348918
HF Energy	-153.344033
Nuclear repulsion energy	76.090857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3294	3162	18.87
2	A	3177	3049	15.57
3	A	3132	3007	16.97
4	A	3102	2978	44.98
5	A	3038	2916	38.46
6	A	1568	1505	13.97
7	A	1551	1489	10.70
8	A	1522	1461	3.12
9	A	1479	1419	3.11
10	A	1253	1203	103.71
11	A	1232	1182	24.06
12	A	1161	1114	0.38
13	A	1122	1077	5.68
14	A	935	897	19.87
15	A	580	556	61.15
16	A	417	400	5.63
17	A	289	277	10.99
18	A	174	167	2.61

Atom	x (Å)	y (Å)	z (Å)
O1	0.092	-0.556	-0.047
C2	-1.160	0.176	0.018
C3	1.224	0.236	0.069
H4	-1.949	-0.554	-0.171
H5	-1.301	0.629	1.006
H6	-1.197	0.965	-0.745
H7	2.145	-0.329	0.018
H8	1.181	1.273	-0.257

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4524	1.3861	2.0450	2.1109	2.1134	2.0658	2.1388
C2	1.4524		2.3855	1.0907	1.0962	1.0987	3.3433	2.6000
C3	1.3861	2.3855		3.2783	2.7220	2.6567	1.0814	1.0879
H4	2.0450	1.0907	3.2783		1.7900	1.7892	4.1040	3.6246
H5	2.1109	1.0962	2.7220	1.7900		1.7866	3.7105	2.8587
H6	2.1134	1.0987	2.6567	1.7892	1.7866		3.6643	2.4472
H7	2.0658	3.3433	1.0814	4.1040	3.7105	3.6643		1.8895
H8	2.1388	2.6000	1.0879	3.6246	2.8587	2.4472	1.8895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.177	O1	C2	H5	111.071
O1	C2	H6	111.117	O1	C3	H7	113.118
O1	C3	H8	119.158	C2	O1	C3	114.349
H4	C2	H5	109.867	H4	C2	H6	109.605
H5	C2	H6	108.970	H7	C3	H8	121.157

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

using model chemistry: HSEh1PBE/3-21G*

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	-0.476
2	C	-0.377
3	C	-0.202
4	H	0.237
5	H	0.220
6	H	0.208
7	H	0.210
8	H	0.180

	x	y	z	Total
	-0.915	1.281	-0.283	1.600
CHELPG
AIM
ESP

	x	y	z
x	4.671	0.137	0.053
y	0.137	3.195	-0.122
z	0.053	-0.122	2.346

<r²>	49.707
(<r²>)^1/2	7.050

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

using model chemistry: HSEh1PBE/3-21G*

States and conformations

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