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	hartrees
Energy at 0K	-154.988000
Energy at 298.15K	-154.994721
HF Energy	-154.988000
Nuclear repulsion energy	84.308308

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	3136	25.85	90.31	0.35	0.51
2	A₁	2982	2982	53.71	203.50	0.03	0.06
3	A₁	1530	1530	1.52	13.11	0.74	0.85
4	A₁	1503	1503	0.09	14.67	0.75	0.86
5	A₁	1285	1285	6.83	1.75	0.57	0.73
6	A₁	986	986	32.84	7.90	0.39	0.56
7	A₁	428	428	2.42	0.42	0.02	0.04
8	A₂	3030	3030	0.00	13.71	0.75	0.86
9	A₂	1488	1488	0.00	31.77	0.75	0.86
10	A₂	1178	1178	0.00	4.77	0.75	0.86
11	A₂	217	217	0.00	0.19	0.75	0.86
12	B₁	3024	3024	138.31	93.61	0.75	0.86
13	B₁	1500	1500	12.64	0.26	0.75	0.86
14	B₁	1213	1213	7.54	1.99	0.75	0.86
15	B₁	260	260	5.10	0.05	0.75	0.86
16	B₂	3134	3134	32.31	69.94	0.75	0.86
17	B₂	2970	2970	54.82	1.18	0.75	0.86
18	B₂	1505	1505	13.58	2.68	0.75	0.86
19	B₂	1471	1471	4.80	6.06	0.75	0.86
20	B₂	1245	1245	127.50	0.25	0.75	0.86
21	B₂	1148	1148	16.60	3.18	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.587
C2	0.000	1.161	-0.193
C3	0.000	-1.161	-0.193
H4	0.000	2.016	0.486
H5	0.000	-2.016	0.486
H6	0.891	1.219	-0.838
H7	-0.891	1.219	-0.838
H8	-0.891	-1.219	-0.838
H9	0.891	-1.219	-0.838

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.3982	1.3982	2.0185	2.0185	2.0765	2.0765	2.0765	2.0765
C2	1.3982		2.3214	1.0922	3.2485	1.1020	1.1020	2.6222	2.6222
C3	1.3982	2.3214		3.2485	1.0922	2.6222	2.6222	1.1020	1.1020
H4	2.0185	1.0922	3.2485		4.0319	1.7843	1.7843	3.6078	3.6078
H5	2.0185	3.2485	1.0922	4.0319		3.6078	3.6078	1.7843	1.7843
H6	2.0765	1.1020	2.6222	1.7843	3.6078		1.7825	3.0207	2.4387
H7	2.0765	1.1020	2.6222	1.7843	3.6078	1.7825		2.4387	3.0207
H8	2.0765	2.6222	1.1020	3.6078	1.7843	3.0207	2.4387		1.7825
H9	2.0765	2.6222	1.1020	3.6078	1.7843	2.4387	3.0207	1.7825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.657	O1	C2	H6	111.762
O1	C2	H7	111.762	O1	C3	H5	107.657
O1	C3	H8	111.762	O1	C3	H9	111.762
C2	O1	C3	112.228	H4	C2	H6	108.822
H4	C2	H7	108.822	H5	C3	H8	108.822
H5	C3	H9	108.822	H6	C2	H7	107.947
H8	C3	H9	107.947

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

using model chemistry: wB97X-D/6-31G(2df,p)

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	-0.245
2	C	-0.256
3	C	-0.256
4	H	0.148
5	H	0.148
6	H	0.115
7	H	0.115
8	H	0.115
9	H	0.115

<r²>	51.889
(<r²>)^1/2	7.203

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

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

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