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	hartrees
Energy at 0K	-154.989312
Energy at 298.15K	-154.996018
HF Energy	-154.989312
Nuclear repulsion energy	84.218066

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	3161	3008	27.57	94.17	0.35	0.52
2	A₁	3007	2861	57.40	217.18	0.03	0.06
3	A₁	1539	1464	0.96	18.93	0.74	0.85
4	A₁	1509	1435	0.06	16.14	0.74	0.85
5	A₁	1281	1219	5.05	2.68	0.58	0.74
6	A₁	986	938	35.80	8.43	0.44	0.61
7	A₁	416	396	2.65	0.47	0.03	0.05
8	A₂	3056	2908	0.00	15.75	0.75	0.86
9	A₂	1498	1425	0.00	39.85	0.75	0.86
10	A₂	1175	1118	0.00	6.98	0.75	0.86
11	A₂	223	212	0.00	0.23	0.75	0.86
12	B₁	3051	2903	146.45	97.87	0.75	0.86
13	B₁	1508	1435	12.19	0.35	0.75	0.86
14	B₁	1210	1151	5.73	3.06	0.75	0.86
15	B₁	255	243	6.43	0.06	0.75	0.86
16	B₂	3159	3006	31.63	74.94	0.75	0.86
17	B₂	2994	2849	59.00	1.54	0.75	0.86
18	B₂	1515	1441	14.78	3.55	0.75	0.86
19	B₂	1475	1404	6.66	9.10	0.75	0.86
20	B₂	1241	1181	128.07	0.15	0.75	0.86
21	B₂	1146	1090	16.16	4.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.589
C2	0.000	1.162	-0.194
C3	0.000	-1.162	-0.194
H4	0.000	2.016	0.485
H5	0.000	-2.016	0.485
H6	0.890	1.223	-0.838
H7	-0.890	1.223	-0.838
H8	-0.890	-1.223	-0.838
H9	0.890	-1.223	-0.838

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4013	1.4013	2.0189	2.0189	2.0797	2.0797	2.0797	2.0797
C2	1.4013		2.3241	1.0911	3.2500	1.1006	1.1006	2.6260	2.6260
C3	1.4013	2.3241		3.2500	1.0911	2.6260	2.6260	1.1006	1.1006
H4	2.0189	1.0911	3.2500		4.0323	1.7812	1.7812	3.6104	3.6104
H5	2.0189	3.2500	1.0911	4.0323		3.6104	3.6104	1.7812	1.7812
H6	2.0797	1.1006	2.6260	1.7812	3.6104		1.7806	3.0254	2.4459
H7	2.0797	1.1006	2.6260	1.7812	3.6104	1.7806		2.4459	3.0254
H8	2.0797	2.6260	1.1006	3.6104	1.7812	3.0254	2.4459		1.7806
H9	2.0797	2.6260	1.1006	3.6104	1.7812	2.4459	3.0254	1.7806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.538	O1	C2	H6	111.896
O1	C2	H7	111.896	O1	C3	H5	107.538
O1	C3	H8	111.896	O1	C3	H9	111.896
C2	O1	C3	112.048	H4	C2	H6	108.719
H4	C2	H7	108.719	H5	C3	H8	108.719
H5	C3	H9	108.719	H6	C2	H7	107.989
H8	C3	H9	107.989

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

using model chemistry: mPW1PW91/6-31G**

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	-0.474
2	C	-0.128
3	C	-0.128
4	H	0.142
5	H	0.142
6	H	0.112
7	H	0.112
8	H	0.112
9	H	0.112

<r²>	51.986
(<r²>)^1/2	7.210

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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