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	hartrees
Energy at 0K	-154.838331
Energy at 298.15K	-154.845059
HF Energy	-154.838331
Nuclear repulsion energy	84.263246

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	3165	3017	26.58	93.17	0.35	0.51
2	A₁	3011	2870	57.48	208.56	0.03	0.06
3	A₁	1550	1477	0.94	20.77	0.74	0.85
4	A₁	1518	1447	0.05	16.05	0.74	0.85
5	A₁	1285	1225	5.08	3.06	0.59	0.75
6	A₁	994	947	36.18	8.61	0.44	0.61
7	A₁	420	400	2.61	0.46	0.02	0.04
8	A₂	3057	2913	0.00	15.06	0.75	0.86
9	A₂	1509	1439	0.00	41.01	0.75	0.86
10	A₂	1180	1125	0.00	7.67	0.75	0.86
11	A₂	228	217	0.00	0.25	0.75	0.86
12	B₁	3051	2908	146.83	97.96	0.75	0.86
13	B₁	1519	1448	12.59	0.37	0.75	0.86
14	B₁	1214	1157	5.87	3.36	0.75	0.86
15	B₁	261	249	6.54	0.07	0.75	0.86
16	B₂	3163	3015	32.20	74.28	0.75	0.86
17	B₂	2997	2857	56.57	1.57	0.75	0.86
18	B₂	1527	1455	15.40	3.60	0.75	0.86
19	B₂	1484	1414	6.26	9.99	0.75	0.86
20	B₂	1249	1190	128.51	0.15	0.75	0.86
21	B₂	1151	1097	14.85	4.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.590
C2	0.000	1.159	-0.195
C3	0.000	-1.159	-0.195
H4	0.000	2.015	0.486
H5	0.000	-2.015	0.486
H6	0.892	1.217	-0.840
H7	-0.892	1.217	-0.840
H8	-0.892	-1.217	-0.840
H9	0.892	-1.217	-0.840

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.3998	1.3998	2.0176	2.0176	2.0791	2.0791	2.0791	2.0791
C2	1.3998		2.3184	1.0931	3.2461	1.1027	1.1027	2.6194	2.6194
C3	1.3998	2.3184		3.2461	1.0931	2.6194	2.6194	1.1027	1.1027
H4	2.0176	1.0931	3.2461		4.0298	1.7857	1.7857	3.6057	3.6057
H5	2.0176	3.2461	1.0931	4.0298		3.6057	3.6057	1.7857	1.7857
H6	2.0791	1.1027	2.6194	1.7857	3.6057		1.7848	3.0190	2.4349
H7	2.0791	1.1027	2.6194	1.7857	3.6057	1.7848		2.4349	3.0190
H8	2.0791	2.6194	1.1027	3.6057	1.7857	3.0190	2.4349		1.7848
H9	2.0791	2.6194	1.1027	3.6057	1.7857	2.4349	3.0190	1.7848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.425	O1	C2	H6	111.820
O1	C2	H7	111.820	O1	C3	H5	107.425
O1	C3	H8	111.820	O1	C3	H9	111.820
C2	O1	C3	111.812	H4	C2	H6	108.825
H4	C2	H7	108.825	H5	C3	H8	108.825
H5	C3	H9	108.825	H6	C2	H7	108.053
H8	C3	H9	108.053

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

using model chemistry: PBE1PBE/6-31G**

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	-0.447
2	C	-0.263
3	C	-0.263
4	H	0.185
5	H	0.185
6	H	0.151
7	H	0.151
8	H	0.151
9	H	0.151

<r²>	51.928
(<r²>)^1/2	7.206

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

using model chemistry: PBE1PBE/6-31G**

States and conformations

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