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	hartrees
Energy at 0K	-154.376914
Energy at 298.15K	-154.381877
HF Energy	-154.376914
Nuclear repulsion energy	77.371047

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3249	3135	17.76
2	A	3132	3023	20.49
3	A	3100	2991	22.03
4	A	3060	2953	46.98
5	A	3001	2896	49.95
6	A	1503	1451	10.94
7	A	1499	1447	3.83
8	A	1486	1434	5.29
9	A	1458	1407	4.13
10	A	1295	1250	130.57
11	A	1256	1212	28.02
12	A	1175	1134	1.62
13	A	1142	1102	5.13
14	A	972	938	28.98
15	A	646	623	36.44
16	A	432	417	3.60
17	A	301	290	6.73
18	A	170	164	1.42

Atom	x (Å)	y (Å)	z (Å)
O1	0.091	-0.541	-0.042
C2	-1.135	0.167	0.014
C3	1.200	0.227	0.076
H4	-1.933	-0.559	-0.149
H5	-1.269	0.645	0.992
H6	-1.180	0.938	-0.768
H7	2.121	-0.332	-0.034
H8	1.142	1.265	-0.249

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4166	1.3543	2.0268	2.0802	2.0808	2.0409	2.0992
C2	1.4166		2.3365	1.0915	1.0972	1.0989	3.2943	2.5410
C3	1.3543	2.3365		3.2382	2.6670	2.6237	1.0831	1.0886
H4	2.0268	1.0915	3.2382		1.7873	1.7864	4.0621	3.5765
H5	2.0802	1.0972	2.6670	1.7873		1.7864	3.6748	2.7817
H6	2.0808	1.0989	2.6237	1.7864	1.7864		3.6125	2.4017
H7	2.0409	3.2943	1.0831	4.0621	3.6748	3.6125		1.8852
H8	2.0992	2.5410	1.0886	3.5765	2.7817	2.4017	1.8852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.110	O1	C2	H5	111.051
O1	C2	H6	110.997	O1	C3	H7	113.245
O1	C3	H8	118.072	C2	O1	C3	114.947
H4	C2	H5	109.493	H4	C2	H6	109.288
H5	C2	H6	108.869	H7	C3	H8	120.475

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

using model chemistry: B3LYP/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	-0.141
2	C	-0.228
3	C	-0.224
4	H	0.134
5	H	0.124
6	H	0.118
7	H	0.117
8	H	0.099

	x	y	z	Total
	-0.837	0.891	-0.285	1.255
CHELPG
AIM
ESP

	x	y	z
x	5.114	0.080	0.009
y	0.080	3.685	-0.096
z	0.009	-0.096	3.056

<r²>	48.507
(<r²>)^1/2	6.965

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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