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	hartrees
Energy at 0K	-153.513933
Energy at 298.15K	-153.518816
HF Energy	-153.513933
Nuclear repulsion energy	75.759682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3267	3152	22.70
2	A	3153	3042	18.53
3	A	3108	2999	18.86
4	A	3079	2971	48.99
5	A	3022	2916	40.43
6	A	1568	1513	12.06
7	A	1551	1497	8.39
8	A	1520	1466	2.22
9	A	1479	1427	5.90
10	A	1236	1193	43.99
11	A	1216	1173	78.68
12	A	1152	1112	0.39
13	A	1115	1076	7.66
14	A	905	874	19.84
15	A	595	574	56.70
16	A	413	398	5.20
17	A	291	280	10.74
18	A	170	164	2.41

Atom	x (Å)	y (Å)	z (Å)
O1	0.094	-0.556	-0.046
C2	-1.170	0.176	0.017
C3	1.233	0.237	0.072
H4	-1.952	-0.557	-0.184
H5	-1.319	0.618	1.009
H6	-1.204	0.971	-0.739
H7	2.150	-0.333	0.006
H8	1.194	1.272	-0.260

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4623	1.3924	2.0509	2.1186	2.1214	2.0681	2.1440
C2	1.4623		2.4044	1.0906	1.0960	1.0983	3.3587	2.6205
C3	1.3924	2.4044		3.2924	2.7451	2.6719	1.0816	1.0880
H4	2.0509	1.0906	3.2924		1.7904	1.7898	4.1123	3.6399
H5	2.1186	1.0960	2.7451	1.7904		1.7871	3.7342	2.8902
H6	2.1214	1.0983	2.6719	1.7898	1.7871		3.6754	2.4642
H7	2.0681	3.3587	1.0816	4.1123	3.7342	3.6754		1.8872
H8	2.1440	2.6205	1.0880	3.6399	2.8902	2.4642	1.8872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	105.994	O1	C2	H5	111.011
O1	C2	H6	111.088	O1	C3	H7	112.825
O1	C3	H8	119.110	C2	O1	C3	114.740
H4	C2	H5	109.934	H4	C2	H6	109.707
H5	C2	H6	109.069	H7	C3	H8	120.874

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

using model chemistry: B3LYP/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	-0.460
2	C	-0.317
3	C	-0.170
4	H	0.214
5	H	0.200
6	H	0.188
7	H	0.186
8	H	0.159

	x	y	z	Total
	-0.968	1.225	-0.305	1.591
CHELPG
AIM
ESP

	x	y	z
x	4.773	0.137	0.046
y	0.137	3.216	-0.120
z	0.046	-0.120	2.344

<r²>	50.149
(<r²>)^1/2	7.082

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

using model chemistry: B3LYP/3-21G

States and conformations

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