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	hartrees
Energy at 0K	-155.064919
Energy at 298.15K	-155.071610
HF Energy	-155.064919
Nuclear repulsion energy	83.726971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3108	3020	20.46
2	A₁	2966	2882	65.08
3	A₁	1495	1453	2.96
4	A₁	1473	1431	0.40
5	A₁	1253	1217	7.86
6	A₁	948	921	36.18
7	A₁	412	401	2.49
8	A₂	3009	2924	0.00
9	A₂	1458	1417	0.00
10	A₂	1148	1116	0.00
11	A₂	229	223	0.00
12	B₁	3005	2920	127.06
13	B₁	1466	1424	13.58
14	B₁	1178	1145	7.14
15	B₁	246	239	5.53
16	B₂	3107	3019	27.66
17	B₂	2953	2870	58.53
18	B₂	1476	1434	13.47
19	B₂	1443	1402	1.57
20	B₂	1197	1163	119.48
21	B₂	1113	1082	25.72

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.592
C2	0.000	1.169	-0.195
C3	0.000	-1.169	-0.195
H4	0.000	2.033	0.484
H5	0.000	-2.033	0.484
H6	0.897	1.223	-0.843
H7	-0.897	1.223	-0.843
H8	-0.897	-1.223	-0.843
H9	0.897	-1.223	-0.843

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4094	1.4094	2.0354	2.0354	2.0883	2.0883	2.0883	2.0883
C2	1.4094		2.3386	1.0983	3.2730	1.1078	1.1078	2.6362	2.6362
C3	1.4094	2.3386		3.2730	1.0983	2.6362	2.6362	1.1078	1.1078
H4	2.0354	1.0983	3.2730		4.0651	1.7946	1.7946	3.6287	3.6287
H5	2.0354	3.2730	1.0983	4.0651		3.6287	3.6287	1.7946	1.7946
H6	2.0883	1.1078	2.6362	1.7946	3.6287		1.7930	3.0335	2.4468
H7	2.0883	1.1078	2.6362	1.7946	3.6287	1.7930		2.4468	3.0335
H8	2.0883	2.6362	1.1078	3.6287	1.7946	3.0335	2.4468		1.7930
H9	2.0883	2.6362	1.1078	3.6287	1.7946	2.4468	3.0335	1.7930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.876	O1	C2	H6	111.554
O1	C2	H7	111.554	O1	C3	H5	107.876
O1	C3	H8	111.554	O1	C3	H9	111.554
C2	O1	C3	112.117	H4	C2	H6	108.872
H4	C2	H7	108.872	H5	C3	H8	108.872
H5	C3	H9	108.872	H6	C2	H7	108.052
H8	C3	H9	108.052

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

using model chemistry: B3LYP/Sadlej_pVTZ

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	-0.990
2	C	2.793
3	C	2.793
4	H	-0.903
5	H	-0.903
6	H	-0.698
7	H	-0.698
8	H	-0.698
9	H	-0.698

<r²>	52.956
(<r²>)^1/2	7.277

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

using model chemistry: B3LYP/Sadlej_pVTZ

States and conformations

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