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	hartrees
Energy at 0K	-154.915517
Energy at 298.15K	-154.910233
HF Energy	-155.039896
Nuclear repulsion energy	83.951677

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	3112	3003	25.86	92.26	0.33	0.49
2	A₁	2970	2866	55.55	199.69	0.03	0.06
3	A₁	1522	1469	0.86	14.40	0.74	0.85
4	A₁	1493	1441	0.04	13.71	0.74	0.85
5	A₁	1273	1229	5.85	2.04	0.58	0.74
6	A₁	953	920	31.03	8.06	0.37	0.54
7	A₁	415	400	2.34	0.53	0.03	0.06
8	A₂	3007	2902	0.00	15.39	0.75	0.86
9	A₂	1480	1428	0.00	32.38	0.75	0.86
10	A₂	1167	1127	0.00	5.29	0.75	0.86
11	A₂	220	212	0.00	0.20	0.75	0.86
12	B₁	3003	2898	138.60	91.68	0.75	0.86
13	B₁	1490	1438	9.27	0.30	0.75	0.86
14	B₁	1202	1160	7.26	2.35	0.75	0.86
15	B₁	249	240	5.07	0.07	0.75	0.86
16	B₂	3110	3001	33.01	69.92	0.75	0.86
17	B₂	2956	2853	55.24	1.80	0.75	0.86
18	B₂	1499	1446	12.09	3.01	0.75	0.86
19	B₂	1463	1412	7.05	6.32	0.75	0.86
20	B₂	1205	1163	104.74	0.01	0.75	0.86
21	B₂	1129	1090	36.09	3.70	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.588
C2	0.000	1.169	-0.194
C3	0.000	-1.169	-0.194
H4	0.000	2.021	0.490
H5	0.000	-2.021	0.490
H6	0.892	1.231	-0.839
H7	-0.892	1.231	-0.839
H8	-0.892	-1.231	-0.839
H9	0.892	-1.231	-0.839

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4065	1.4065	2.0238	2.0238	2.0848	2.0848	2.0848	2.0848
C2	1.4065		2.3380	1.0930	3.2629	1.1022	1.1022	2.6400	2.6400
C3	1.4065	2.3380		3.2629	1.0930	2.6400	2.6400	1.1022	1.1022
H4	2.0238	1.0930	3.2629		4.0429	1.7852	1.7852	3.6246	3.6246
H5	2.0238	3.2629	1.0930	4.0429		3.6246	3.6246	1.7852	1.7852
H6	2.0848	1.1022	2.6400	1.7852	3.6246		1.7832	3.0395	2.4614
H7	2.0848	1.1022	2.6400	1.7852	3.6246	1.7832		2.4614	3.0395
H8	2.0848	2.6400	1.1022	3.6246	1.7852	3.0395	2.4614		1.7832
H9	2.0848	2.6400	1.1022	3.6246	1.7852	2.4614	3.0395	1.7832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.573	O1	C2	H6	112.082
O1	C2	H7	112.082	O1	C3	H5	107.573
O1	C3	H8	112.082	O1	C3	H9	112.082
C2	O1	C3	112.936	H4	C2	H6	108.592
H4	C2	H7	108.592	H5	C3	H8	108.592
H5	C3	H9	108.592	H6	C2	H7	107.820
H8	C3	H9	107.820

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

using model chemistry: G4

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	-0.212
2	C	-0.223
3	C	-0.223
4	H	0.127
5	H	0.127
6	H	0.101
7	H	0.101
8	H	0.101
9	H	0.101

<r²>	52.400
(<r²>)^1/2	7.239

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

using model chemistry: G4

States and conformations

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