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	hartrees
Energy at 0K	-154.980853
Energy at 298.15K	-154.987534
HF Energy	-154.980853
Nuclear repulsion energy	84.174357

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	3125	3005	24.97	91.31	0.35	0.51
2	A₁	2976	2861	53.46	206.78	0.03	0.05
3	A₁	1517	1458	1.44	14.98	0.74	0.85
4	A₁	1488	1430	0.04	12.86	0.74	0.85
5	A₁	1271	1222	5.69	1.67	0.57	0.72
6	A₁	972	934	31.84	7.66	0.38	0.55
7	A₁	412	396	2.30	0.47	0.03	0.06
8	A₂	3022	2905	0.00	15.57	0.75	0.86
9	A₂	1475	1418	0.00	32.10	0.75	0.86
10	A₂	1165	1120	0.00	4.87	0.75	0.86
11	A₂	219	211	0.00	0.21	0.75	0.86
12	B₁	3016	2900	135.01	93.68	0.75	0.86
13	B₁	1485	1427	11.44	0.24	0.75	0.86
14	B₁	1199	1153	6.39	2.12	0.75	0.86
15	B₁	248	239	5.05	0.06	0.75	0.86
16	B₂	3123	3003	30.69	70.12	0.75	0.86
17	B₂	2963	2849	57.76	1.51	0.75	0.86
18	B₂	1493	1436	13.23	2.93	0.75	0.86
19	B₂	1456	1399	4.84	6.36	0.75	0.86
20	B₂	1220	1173	119.81	0.14	0.75	0.86
21	B₂	1135	1091	19.56	3.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.588
C2	0.000	1.163	-0.193
C3	0.000	-1.163	-0.193
H4	0.000	2.018	0.487
H5	0.000	-2.018	0.487
H6	0.891	1.223	-0.839
H7	-0.891	1.223	-0.839
H8	-0.891	-1.223	-0.839
H9	0.891	-1.223	-0.839

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4009	1.4009	2.0209	2.0209	2.0809	2.0809	2.0809	2.0809
C2	1.4009		2.3250	1.0932	3.2528	1.1026	1.1026	2.6277	2.6277
C3	1.4009	2.3250		3.2528	1.0932	2.6277	2.6277	1.1026	1.1026
H4	2.0209	1.0932	3.2528		4.0368	1.7847	1.7847	3.6143	3.6143
H5	2.0209	3.2528	1.0932	4.0368		3.6143	3.6143	1.7847	1.7847
H6	2.0809	1.1026	2.6277	1.7847	3.6143		1.7829	3.0276	2.4470
H7	2.0809	1.1026	2.6277	1.7847	3.6143	1.7829		2.4470	3.0276
H8	2.0809	2.6277	1.1026	3.6143	1.7847	3.0276	2.4470		1.7829
H9	2.0809	2.6277	1.1026	3.6143	1.7847	2.4470	3.0276	1.7829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.604	O1	C2	H6	111.890
O1	C2	H7	111.890	O1	C3	H5	107.604
O1	C3	H8	111.890	O1	C3	H9	111.890
C2	O1	C3	112.158	H4	C2	H6	108.735
H4	C2	H7	108.735	H5	C3	H8	108.735
H5	C3	H9	108.735	H6	C2	H7	107.906
H8	C3	H9	107.906

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

using model chemistry: B3PW91/6-31G(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	-0.237
2	C	-0.273
3	C	-0.273
4	H	0.149
5	H	0.149
6	H	0.121
7	H	0.121
8	H	0.121
9	H	0.121

<r²>	52.030
(<r²>)^1/2	7.213

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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