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	hartrees
Energy at 0K	-154.433976
Energy at 298.15K	-154.438846
HF Energy	-154.433976
Nuclear repulsion energy	77.398886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3263	3141	11.26
2	A	3133	3016	18.72
3	A	3115	2998	20.16
4	A	3061	2946	44.82
5	A	3005	2893	52.90
6	A	1504	1448	14.71
7	A	1497	1441	3.57
8	A	1489	1433	7.34
9	A	1460	1405	2.03
10	A	1287	1239	137.63
11	A	1250	1204	32.58
12	A	1171	1127	1.85
13	A	1136	1094	6.70
14	A	958	923	34.08
15	A	539	519	53.58
16	A	430	414	4.10
17	A	293	282	4.51
18	A	161	155	2.22

Atom	x (Å)	y (Å)	z (Å)
O1	0.089	-0.533	-0.052
C2	-1.139	0.165	0.020
C3	1.204	0.223	0.074
H4	-1.936	-0.557	-0.144
H5	-1.269	0.630	1.001
H6	-1.197	0.942	-0.750
H7	2.125	-0.340	0.020
H8	1.170	1.254	-0.270

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4151	1.3533	2.0275	2.0748	2.0782	2.0463	2.0998
C2	1.4151		2.3451	1.0878	1.0932	1.0954	3.3035	2.5697
C3	1.3533	2.3451		3.2432	2.6719	2.6390	1.0808	1.0873
H4	2.0275	1.0878	3.2432		1.7790	1.7782	4.0703	3.5978
H5	2.0748	1.0932	2.6719	1.7790		1.7802	3.6633	2.8201
H6	2.0782	1.0954	2.6390	1.7782	1.7802		3.6437	2.4355
H7	2.0463	3.3035	1.0808	4.0703	3.6633	3.6437		1.8808
H8	2.0998	2.5697	1.0873	3.5978	2.8201	2.4355	1.8808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.480	O1	C2	H5	110.968
O1	C2	H6	111.109	O1	C3	H7	113.960
O1	C3	H8	118.303	C2	O1	C3	115.781
H4	C2	H5	109.306	H4	C2	H6	109.075
H5	C2	H6	108.863	H7	C3	H8	120.333

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

using model chemistry: B3LYP/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	-0.253
2	C	-0.129
3	C	-0.144
4	H	0.122
5	H	0.106
6	H	0.097
7	H	0.114
8	H	0.086

	x	y	z	Total
	-0.924	0.947	-0.296	1.355
CHELPG
AIM
ESP

	x	y	z
x	5.666	0.072	0.006
y	0.072	4.224	-0.031
z	0.006	-0.031	4.038

<r²>	48.919
(<r²>)^1/2	6.994

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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