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	hartrees
Energy at 0K	-154.234198
Energy at 298.15K	-154.239008
HF Energy	-154.234198
Nuclear repulsion energy	77.054190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3198	3159	10.69
2	A	3072	3034	15.90
3	A	3047	3010	19.37
4	A	2991	2955	45.97
5	A	2932	2897	56.02
6	A	1451	1433	15.31
7	A	1440	1423	3.65
8	A	1431	1414	8.47
9	A	1404	1387	0.79
10	A	1251	1235	117.03
11	A	1208	1194	20.15
12	A	1126	1112	1.27
13	A	1099	1086	3.97
14	A	938	927	31.86
15	A	509	503	55.11
16	A	419	414	3.99
17	A	292	288	3.85
18	A	162	160	2.10

Atom	x (Å)	y (Å)	z (Å)
O1	0.090	-0.539	-0.052
C2	-1.139	0.167	0.019
C3	1.204	0.226	0.075
H4	-1.944	-0.558	-0.144
H5	-1.267	0.638	1.007
H6	-1.195	0.949	-0.757
H7	2.133	-0.339	0.016
H8	1.164	1.265	-0.272

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4189	1.3575	2.0361	2.0853	2.0894	2.0539	2.1114
C2	1.4189		2.3439	1.0959	1.1018	1.1041	3.3104	2.5678
C3	1.3575	2.3439		3.2514	2.6723	2.6403	1.0891	1.0961
H4	2.0361	1.0959	3.2514		1.7930	1.7919	4.0859	3.6057
H5	2.0853	1.1018	2.6723	1.7930		1.7932	3.6734	2.8174
H6	2.0894	1.1041	2.6403	1.7919	1.7932		3.6515	2.4292
H7	2.0539	3.3104	1.0891	4.0859	3.6734	3.6515		1.8958
H8	2.1114	2.5678	1.0961	3.6057	2.8174	2.4292	1.8958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.421	O1	C2	H5	111.009
O1	C2	H6	111.202	O1	C3	H7	113.721
O1	C3	H8	118.365	C2	O1	C3	115.153
H4	C2	H5	109.334	H4	C2	H6	109.072
H5	C2	H6	108.763	H7	C3	H8	120.361

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

using model chemistry: PBEPBE/Def2TZVPP

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	-0.188
2	C	-0.144
3	C	-0.154
4	H	0.115
5	H	0.102
6	H	0.093
7	H	0.102
8	H	0.075

	x	y	z	Total
	-0.942	0.853	-0.308	1.307
CHELPG
AIM
ESP

	x	y	z
x	5.968	0.059	0.001
y	0.059	4.390	-0.035
z	0.001	-0.035	4.214

<r²>	49.161
(<r²>)^1/2	7.011

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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