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	hartrees
Energy at 0K	-154.828791
Energy at 298.15K	-154.835445
HF Energy	-154.828791
Nuclear repulsion energy	83.446690

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	3066	3024	25.99	98.51	0.33	0.49
2	A₁	2906	2867	61.44	221.73	0.03	0.05
3	A₁	1486	1466	0.65	20.93	0.74	0.85
4	A₁	1451	1431	0.00	17.25	0.74	0.85
5	A₁	1229	1212	3.38	2.99	0.65	0.79
6	A₁	938	925	32.48	7.33	0.44	0.61
7	A₁	405	400	2.35	0.59	0.04	0.08
8	A₂	2947	2907	0.00	20.64	0.75	0.86
9	A₂	1440	1420	0.00	42.96	0.75	0.86
10	A₂	1128	1113	0.00	8.11	0.75	0.86
11	A₂	229	226	0.00	0.34	0.75	0.86
12	B₁	2941	2900	153.90	100.39	0.75	0.86
13	B₁	1449	1429	10.91	0.42	0.75	0.86
14	B₁	1163	1147	4.32	3.51	0.75	0.86
15	B₁	254	250	5.63	0.07	0.75	0.86
16	B₂	3065	3023	30.43	75.87	0.75	0.86
17	B₂	2891	2851	65.18	3.36	0.75	0.86
18	B₂	1460	1440	15.15	4.30	0.75	0.86
19	B₂	1420	1400	7.31	10.82	0.75	0.86
20	B₂	1169	1153	108.04	0.01	0.75	0.86
21	B₂	1101	1086	22.51	4.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.600
C2	0.000	1.169	-0.198
C3	0.000	-1.169	-0.198
H4	0.000	2.032	0.486
H5	0.000	-2.032	0.486
H6	0.898	1.229	-0.850
H7	-0.898	1.229	-0.850
H8	-0.898	-1.229	-0.850
H9	0.898	-1.229	-0.850

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4157	1.4157	2.0349	2.0349	2.1026	2.1026	2.1026	2.1026
C2	1.4157		2.3380	1.1007	3.2729	1.1113	1.1113	2.6427	2.6427
C3	1.4157	2.3380		3.2729	1.1007	2.6427	2.6427	1.1113	1.1113
H4	2.0349	1.1007	3.2729		4.0633	1.7982	1.7982	3.6365	3.6365
H5	2.0349	3.2729	1.1007	4.0633		3.6365	3.6365	1.7982	1.7982
H6	2.1026	1.1113	2.6427	1.7982	3.6365		1.7963	3.0450	2.4588
H7	2.1026	1.1113	2.6427	1.7982	3.6365	1.7963		2.4588	3.0450
H8	2.1026	2.6427	1.1113	3.6365	1.7982	3.0450	2.4588		1.7963
H9	2.1026	2.6427	1.1113	3.6365	1.7982	2.4588	3.0450	1.7963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.268	O1	C2	H6	112.063
O1	C2	H7	112.063	O1	C3	H5	107.268
O1	C3	H8	112.063	O1	C3	H9	112.063
C2	O1	C3	111.332	H4	C2	H6	108.764
H4	C2	H7	108.764	H5	C3	H8	108.764
H5	C3	H9	108.764	H6	C2	H7	107.834
H8	C3	H9	107.834

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

using model chemistry: PBEPBE/6-31G**

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	-0.420
2	C	-0.125
3	C	-0.125
4	H	0.130
5	H	0.130
6	H	0.102
7	H	0.102
8	H	0.102
9	H	0.102

<r²>	52.749
(<r²>)^1/2	7.263

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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