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	hartrees
Energy at 0K	-155.005651
Energy at 298.15K	-155.012205
HF Energy	-155.005651
Nuclear repulsion energy	82.085096

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	3165	3042	38.66	79.94	0.34	0.51
2	A₁	2996	2880	76.59	252.82	0.02	0.05
3	A₁	1526	1467	4.00	21.75	0.75	0.86
4	A₁	1493	1435	0.06	9.87	0.73	0.85
5	A₁	1243	1195	0.31	7.21	0.59	0.75
6	A₁	873	840	26.86	16.73	0.29	0.45
7	A₁	388	373	5.03	0.38	0.13	0.23
8	A₂	3061	2942	0.00	16.54	0.75	0.86
9	A₂	1497	1439	0.00	36.11	0.75	0.86
10	A₂	1134	1090	0.00	14.42	0.75	0.86
11	A₂	203	196	0.00	0.37	0.75	0.86
12	B₁	3060	2942	182.50	87.97	0.75	0.86
13	B₁	1507	1449	23.65	0.63	0.75	0.86
14	B₁	1162	1117	1.44	4.10	0.75	0.86
15	B₁	228	220	9.72	0.01	0.75	0.86
16	B₂	3161	3039	34.99	69.91	0.75	0.86
17	B₂	2985	2870	71.88	1.05	0.75	0.86
18	B₂	1509	1451	18.11	3.57	0.75	0.86
19	B₂	1469	1412	0.39	7.36	0.75	0.86
20	B₂	1163	1118	53.24	0.14	0.75	0.86
21	B₂	1086	1044	48.39	9.66	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.596
C2	0.000	1.213	-0.202
C3	0.000	-1.213	-0.202
H4	0.000	2.047	0.505
H5	0.000	-2.047	0.505
H6	0.897	1.276	-0.841
H7	-0.897	1.276	-0.841
H8	-0.897	-1.276	-0.841
H9	0.897	-1.276	-0.841

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4517	1.4517	2.0492	2.0492	2.1208	2.1208	2.1208	2.1208
C2	1.4517		2.4254	1.0933	3.3355	1.1031	1.1031	2.7214	2.7214
C3	1.4517	2.4254		3.3355	1.0933	2.7214	2.7214	1.1031	1.1031
H4	2.0492	1.0933	3.3355		4.0943	1.7916	1.7916	3.6956	3.6956
H5	2.0492	3.3355	1.0933	4.0943		3.6956	3.6956	1.7916	1.7916
H6	2.1208	1.1031	2.7214	1.7916	3.6956		1.7938	3.1192	2.5518
H7	2.1208	1.1031	2.7214	1.7916	3.6956	1.7938		2.5518	3.1192
H8	2.1208	2.7214	1.1031	3.6956	1.7916	3.1192	2.5518		1.7938
H9	2.1208	2.7214	1.1031	3.6956	1.7916	2.5518	3.1192	1.7938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.403	O1	C2	H6	111.490
O1	C2	H7	111.490	O1	C3	H5	106.403
O1	C3	H8	111.490	O1	C3	H9	111.490
C2	O1	C3	113.307	H4	C2	H6	109.307
H4	C2	H7	109.307	H5	C3	H8	109.307
H5	C3	H9	109.307	H6	C2	H7	108.789
H8	C3	H9	108.789

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

using model chemistry: B3LYP/SDD

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	-0.319
2	C	-0.434
3	C	-0.434
4	H	0.223
5	H	0.223
6	H	0.185
7	H	0.185
8	H	0.185
9	H	0.185

<r²>	54.363
(<r²>)^1/2	7.373

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

using model chemistry: B3LYP/SDD

States and conformations

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