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	hartrees
Energy at 0K	-154.955409
Energy at 298.15K	-154.962111
HF Energy	-154.955409
Nuclear repulsion energy	84.106275

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	3168	3017	20.59	109.75	0.34	0.51
2	A₁	3018	2874	64.80	254.17	0.03	0.05
3	A₁	1525	1452	2.56	12.94	0.73	0.84
4	A₁	1498	1427	0.31	8.03	0.73	0.84
5	A₁	1277	1216	8.44	1.80	0.56	0.72
6	A₁	989	941	41.21	9.10	0.35	0.52
7	A₁	426	405	2.77	0.72	0.05	0.09
8	A₂	3070	2923	0.00	15.85	0.75	0.86
9	A₂	1494	1423	0.00	26.69	0.75	0.86
10	A₂	1171	1115	0.00	4.43	0.75	0.86
11	A₂	209	199	0.00	0.29	0.75	0.86
12	B₁	3064	2918	131.71	116.06	0.75	0.86
13	B₁	1505	1433	16.03	0.05	0.75	0.86
14	B₁	1201	1143	9.52	0.87	0.75	0.86
15	B₁	260	248	7.11	0.08	0.75	0.86
16	B₂	3167	3016	30.21	75.38	0.75	0.86
17	B₂	3009	2866	55.48	1.01	0.75	0.86
18	B₂	1506	1434	14.79	1.36	0.75	0.86
19	B₂	1467	1397	2.50	7.11	0.75	0.86
20	B₂	1250	1190	137.50	0.81	0.75	0.86
21	B₂	1140	1085	13.50	3.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.590
C2	0.000	1.166	-0.196
C3	0.000	-1.166	-0.196
H4	0.000	2.019	0.484
H5	0.000	-2.019	0.484
H6	0.893	1.214	-0.836
H7	-0.893	1.214	-0.836
H8	-0.893	-1.214	-0.836
H9	0.893	-1.214	-0.836

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4057	1.4057	2.0216	2.0216	2.0746	2.0746	2.0746	2.0746
C2	1.4057		2.3313	1.0909	3.2563	1.1001	1.1001	2.6210	2.6210
C3	1.4057	2.3313		3.2563	1.0909	2.6210	2.6210	1.1001	1.1001
H4	2.0216	1.0909	3.2563		4.0377	1.7855	1.7855	3.6042	3.6042
H5	2.0216	3.2563	1.0909	4.0377		3.6042	3.6042	1.7855	1.7855
H6	2.0746	1.1001	2.6210	1.7855	3.6042		1.7867	3.0143	2.4276
H7	2.0746	1.1001	2.6210	1.7855	3.6042	1.7867		2.4276	3.0143
H8	2.0746	2.6210	1.1001	3.6042	1.7855	3.0143	2.4276		1.7867
H9	2.0746	2.6210	1.1001	3.6042	1.7855	2.4276	3.0143	1.7867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.476	O1	C2	H6	111.192
O1	C2	H7	111.192	O1	C3	H5	107.476
O1	C3	H8	111.192	O1	C3	H9	111.192
C2	O1	C3	112.041	H4	C2	H6	109.168
H4	C2	H7	109.168	H5	C3	H8	109.168
H5	C3	H9	109.168	H6	C2	H7	108.604
H8	C3	H9	108.604

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

using model chemistry: M06-2X/6-31+G**

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	-0.363
2	C	-0.243
3	C	-0.243
4	H	0.160
5	H	0.160
6	H	0.133
7	H	0.133
8	H	0.133
9	H	0.133

<r²>	52.399
(<r²>)^1/2	7.239

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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