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	hartrees
Energy at 0K	-154.967036
Energy at 298.15K	-154.973660
HF Energy	-154.967036
Nuclear repulsion energy	83.162696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3032	3016	26.55	97.61	0.30	0.47
2	A₁	2887	2871	61.70	204.36	0.03	0.05
3	A₁	1484	1476	0.42	15.84	0.74	0.85
4	A₁	1451	1443	0.00	14.62	0.73	0.84
5	A₁	1234	1228	4.60	2.33	0.65	0.79
6	A₁	903	898	28.65	7.48	0.36	0.53
7	A₁	404	402	2.07	0.67	0.05	0.10
8	A₂	2916	2900	0.00	19.37	0.75	0.86
9	A₂	1439	1431	0.00	34.82	0.75	0.86
10	A₂	1131	1125	0.00	6.39	0.75	0.86
11	A₂	222	221	0.00	0.26	0.75	0.86
12	B₁	2911	2895	151.81	95.37	0.75	0.86
13	B₁	1448	1440	7.36	0.37	0.75	0.86
14	B₁	1165	1159	6.55	2.67	0.75	0.86
15	B₁	244	243	4.63	0.07	0.75	0.86
16	B₂	3031	3014	34.59	71.90	0.75	0.86
17	B₂	2871	2855	61.05	3.46	0.75	0.86
18	B₂	1459	1451	11.82	3.59	0.75	0.86
19	B₂	1423	1415	9.61	7.38	0.75	0.86
20	B₂	1147	1140	65.85	0.35	0.75	0.86
21	B₂	1082	1076	64.36	3.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.597
C2	0.000	1.179	-0.198
C3	0.000	-1.179	-0.198
H4	0.000	2.036	0.493
H5	0.000	-2.036	0.493
H6	0.898	1.242	-0.848
H7	-0.898	1.242	-0.848
H8	-0.898	-1.242	-0.848
H9	0.898	-1.242	-0.848

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4219	1.4219	2.0383	2.0383	2.1059	2.1059	2.1059	2.1059
C2	1.4219		2.3586	1.0999	3.2882	1.1101	1.1101	2.6628	2.6628
C3	1.4219	2.3586		3.2882	1.0999	2.6628	2.6628	1.1101	1.1101
H4	2.0383	1.0999	3.2882		4.0713	1.7979	1.7979	3.6530	3.6530
H5	2.0383	3.2882	1.0999	4.0713		3.6530	3.6530	1.7979	1.7979
H6	2.1059	1.1101	2.6628	1.7979	3.6530		1.7952	3.0646	2.4838
H7	2.1059	1.1101	2.6628	1.7979	3.6530	1.7952		2.4838	3.0646
H8	2.1059	2.6628	1.1101	3.6530	1.7979	3.0646	2.4838		1.7952
H9	2.1059	2.6628	1.1101	3.6530	1.7979	2.4838	3.0646	1.7952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.165	O1	C2	H6	111.961
O1	C2	H7	111.961	O1	C3	H5	107.165
O1	C3	H8	111.961	O1	C3	H9	111.961
C2	O1	C3	112.069	H4	C2	H6	108.881
H4	C2	H7	108.881	H5	C3	H8	108.881
H5	C3	H9	108.881	H6	C2	H7	107.920
H8	C3	H9	107.920

All results from a given calculation for CH₃OCH₃ (Dimethyl ether)

using model chemistry: BLYP/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	-0.157
2	C	-0.211
3	C	-0.211
4	H	0.112
5	H	0.112
6	H	0.089
7	H	0.089
8	H	0.089
9	H	0.089

<r²>	53.212
(<r²>)^1/2	7.295

All results from a given calculation for CH3OCH3 (Dimethyl ether)

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

States and conformations

All results from a given calculation for CH₃OCH₃ (Dimethyl ether)