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	hartrees
Energy at 0K	-154.784647
Energy at 298.15K	-154.791359
HF Energy	-154.125106
Nuclear repulsion energy	84.405097

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	3197	3014	16.45	84.83	0.34	0.51
2	A₁	3041	2867	55.45	277.54	0.01	0.03
3	A₁	1541	1453	3.86	6.57	0.75	0.86
4	A₁	1507	1421	0.00	1.85	0.75	0.86
5	A₁	1285	1211	6.04	0.56	0.45	0.62
6	A₁	971	915	36.13	8.75	0.21	0.35
7	A₁	419	395	2.54	0.75	0.13	0.22
8	A₂	3106	2928	0.00	14.37	0.75	0.86
9	A₂	1512	1426	0.00	11.43	0.75	0.86
10	A₂	1184	1116	0.00	1.52	0.75	0.86
11	A₂	211	199	0.00	0.16	0.75	0.86
12	B₁	3098	2921	98.96	92.28	0.75	0.86
13	B₁	1523	1436	15.34	0.02	0.75	0.86
14	B₁	1214	1145	7.04	0.10	0.75	0.86
15	B₁	262	247	5.34	0.00	0.75	0.86
16	B₂	3196	3013	22.13	57.72	0.75	0.86
17	B₂	3035	2861	53.16	0.69	0.75	0.86
18	B₂	1526	1439	11.91	1.03	0.75	0.86
19	B₂	1479	1394	2.00	1.26	0.75	0.86
20	B₂	1231	1160	109.63	0.75	0.75	0.86
21	B₂	1144	1079	27.75	1.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.595
C2	0.000	1.159	-0.197
C3	0.000	-1.159	-0.197
H4	0.000	2.013	0.471
H5	0.000	-2.013	0.471
H6	0.887	1.203	-0.835
H7	-0.887	1.203	-0.835
H8	-0.887	-1.203	-0.835
H9	0.887	-1.203	-0.835

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4040	1.4040	2.0165	2.0165	2.0684	2.0684	2.0684	2.0684
C2	1.4040		2.3179	1.0845	3.2414	1.0932	1.0932	2.6021	2.6021
C3	1.4040	2.3179		3.2414	1.0845	2.6021	2.6021	1.0932	1.0932
H4	2.0165	1.0845	3.2414		4.0254	1.7744	1.7744	3.5822	3.5822
H5	2.0165	3.2414	1.0845	4.0254		3.5822	3.5822	1.7744	1.7744
H6	2.0684	1.0932	2.6021	1.7744	3.5822		1.7744	2.9892	2.4057
H7	2.0684	1.0932	2.6021	1.7744	3.5822	1.7744		2.4057	2.9892
H8	2.0684	2.6021	1.0932	3.5822	1.7744	2.9892	2.4057		1.7744
H9	2.0684	2.6021	1.0932	3.5822	1.7744	2.4057	2.9892	1.7744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.564	O1	C2	H6	111.237
O1	C2	H7	111.237	O1	C3	H5	107.564
O1	C3	H8	111.237	O1	C3	H9	111.237
C2	O1	C3	111.265	H4	C2	H6	109.138
H4	C2	H7	109.138	H5	C3	H8	109.138
H5	C3	H9	109.138	H6	C2	H7	108.489
H8	C3	H9	108.489

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

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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

using model chemistry: MP2=FULL/6-311+G(3df,2p)

States and conformations

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