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	hartrees
Energy at 0K	-30.829495
Energy at 298.15K	-30.836071
HF Energy	-30.829495
Nuclear repulsion energy	49.105747

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	3115	3036	40.49	99.36	0.37	0.54
2	A₁	2945	2870	77.80	288.43	0.03	0.05
3	A₁	1521	1482	1.72	21.26	0.75	0.86
4	A₁	1485	1447	0.01	11.43	0.75	0.86
5	A₁	1239	1207	0.19	6.18	0.60	0.75
6	A₁	875	853	29.59	16.54	0.40	0.57
7	A₁	385	375	3.61	0.72	0.09	0.16
8	A₂	3009	2933	0.00	20.65	0.75	0.86
9	A₂	1489	1451	0.00	40.48	0.75	0.86
10	A₂	1130	1101	0.00	14.58	0.75	0.86
11	A₂	202	197	0.00	0.47	0.75	0.86
12	B₁	3010	2933	199.27	117.86	0.75	0.86
13	B₁	1500	1462	15.58	0.12	0.75	0.86
14	B₁	1160	1131	4.89	4.35	0.75	0.86
15	B₁	230	224	9.23	0.02	0.75	0.86
16	B₂	3112	3033	37.03	88.16	0.75	0.86
17	B₂	2933	2858	71.83	1.22	0.75	0.86
18	B₂	1502	1464	16.87	6.03	0.75	0.86
19	B₂	1460	1422	4.33	8.46	0.75	0.86
20	B₂	1155	1126	58.43	0.24	0.75	0.86
21	B₂	1078	1050	59.02	9.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.601
C2	0.000	1.216	-0.204
C3	0.000	-1.216	-0.204
H4	0.000	2.054	0.500
H5	0.000	-2.054	0.500
H6	0.898	1.274	-0.842
H7	-0.898	1.274	-0.842
H8	-0.898	-1.274	-0.842
H9	0.898	-1.274	-0.842

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4587	1.4587	2.0562	2.0562	2.1243	2.1243	2.1243	2.1243
C2	1.4587		2.4329	1.0934	3.3449	1.1034	1.1034	2.7234	2.7234
C3	1.4587	2.4329		3.3449	1.0934	2.7234	2.7234	1.1034	1.1034
H4	2.0562	1.0934	3.3449		4.1073	1.7928	1.7928	3.6987	3.6987
H5	2.0562	3.3449	1.0934	4.1073		3.6987	3.6987	1.7928	1.7928
H6	2.1243	1.1034	2.7234	1.7928	3.6987		1.7967	3.1178	2.5481
H7	2.1243	1.1034	2.7234	1.7928	3.6987	1.7967		2.5481	3.1178
H8	2.1243	2.7234	1.1034	3.6987	1.7928	3.1178	2.5481		1.7967
H9	2.1243	2.7234	1.1034	3.6987	1.7928	2.5481	3.1178	1.7967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.478	O1	C2	H6	111.264
O1	C2	H7	111.264	O1	C3	H5	106.478
O1	C3	H8	111.264	O1	C3	H9	111.264
C2	O1	C3	113.015	H4	C2	H6	109.391
H4	C2	H7	109.391	H5	C3	H8	109.391
H5	C3	H9	109.391	H6	C2	H7	109.001
H8	C3	H9	109.001

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

using model chemistry: B3LYP/CEP-121G

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	O	-0.280
2	C	-0.295
3	C	-0.295
4	H	0.171
5	H	0.171
6	H	0.132
7	H	0.132
8	H	0.132
9	H	0.132

<r²>	48.083
(<r²>)^1/2	6.934

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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