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	hartrees
Energy at 0K	-155.016756
Energy at 298.15K	-155.023473
HF Energy	-155.016756
Nuclear repulsion energy	84.212604

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	3136	2999	28.26	99.77	0.33	0.50
2	A₁	2980	2851	65.57	257.29	0.03	0.06
3	A₁	1526	1460	2.44	11.08	0.75	0.86
4	A₁	1501	1435	0.54	12.69	0.75	0.86
5	A₁	1281	1225	6.22	1.92	0.60	0.75
6	A₁	977	934	39.70	7.91	0.53	0.70
7	A₁	427	408	2.34	0.47	0.03	0.06
8	A₂	3026	2894	0.00	17.84	0.75	0.86
9	A₂	1485	1420	0.00	28.96	0.75	0.86
10	A₂	1173	1122	0.00	5.01	0.75	0.86
11	A₂	214	205	0.00	0.41	0.75	0.86
12	B₁	3020	2889	161.83	113.48	0.75	0.86
13	B₁	1496	1431	15.91	0.00	0.75	0.86
14	B₁	1206	1154	7.65	1.30	0.75	0.86
15	B₁	260	248	6.43	0.02	0.75	0.86
16	B₂	3134	2998	34.46	78.22	0.75	0.86
17	B₂	2969	2840	57.18	2.14	0.75	0.86
18	B₂	1502	1437	16.65	3.68	0.75	0.86
19	B₂	1471	1407	3.36	6.35	0.75	0.86
20	B₂	1234	1180	124.98	0.30	0.75	0.86
21	B₂	1142	1092	22.51	3.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.588
C2	0.000	1.163	-0.194
C3	0.000	-1.163	-0.194
H4	0.000	2.016	0.485
H5	0.000	-2.016	0.485
H6	0.892	1.220	-0.836
H7	-0.892	1.220	-0.836
H8	-0.892	-1.220	-0.836
H9	0.892	-1.220	-0.836

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4018	1.4018	2.0191	2.0191	2.0767	2.0767	2.0767	2.0767
C2	1.4018		2.3269	1.0903	3.2516	1.1006	1.1006	2.6247	2.6247
C3	1.4018	2.3269		3.2516	1.0903	2.6247	2.6247	1.1006	1.1006
H4	2.0191	1.0903	3.2516		4.0329	1.7822	1.7822	3.6079	3.6079
H5	2.0191	3.2516	1.0903	4.0329		3.6079	3.6079	1.7822	1.7822
H6	2.0767	1.1006	2.6247	1.7822	3.6079		1.7838	3.0226	2.4401
H7	2.0767	1.1006	2.6247	1.7822	3.6079	1.7838		2.4401	3.0226
H8	2.0767	2.6247	1.1006	3.6079	1.7822	3.0226	2.4401		1.7838
H9	2.0767	2.6247	1.1006	3.6079	1.7822	2.4401	3.0226	1.7838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.569	O1	C2	H6	111.608
O1	C2	H7	111.608	O1	C3	H5	107.569
O1	C3	H8	111.608	O1	C3	H9	111.608
C2	O1	C3	112.192	H4	C2	H6	108.863
H4	C2	H7	108.863	H5	C3	H8	108.863
H5	C3	H9	108.863	H6	C2	H7	108.263
H8	C3	H9	108.263

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

using model chemistry: wB97X-D/6-311G**

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	-0.350
2	C	-0.132
3	C	-0.132
4	H	0.123
5	H	0.123
6	H	0.092
7	H	0.092
8	H	0.092
9	H	0.092

<r²>	52.120
(<r²>)^1/2	7.219

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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