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	hartrees
Energy at 0K	-155.025723
Energy at 298.15K	-155.032414
HF Energy	-155.025723
Nuclear repulsion energy	84.264050

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	3143	3007	27.08	101.20	0.33	0.49
2	A₁	2992	2862	64.25	255.17	0.03	0.06
3	A₁	1523	1457	2.66	12.44	0.75	0.85
4	A₁	1495	1430	0.35	10.82	0.75	0.86
5	A₁	1276	1221	5.58	1.81	0.55	0.71
6	A₁	976	934	39.00	7.68	0.53	0.69
7	A₁	411	394	2.20	0.51	0.04	0.08
8	A₂	3035	2904	0.00	18.89	0.75	0.86
9	A₂	1482	1417	0.00	28.68	0.75	0.86
10	A₂	1168	1117	0.00	4.98	0.75	0.86
11	A₂	217	208	0.00	0.42	0.75	0.86
12	B₁	3030	2899	156.15	110.49	0.75	0.86
13	B₁	1491	1426	15.38	0.00	0.75	0.86
14	B₁	1200	1148	6.66	1.45	0.75	0.86
15	B₁	250	239	6.39	0.03	0.75	0.86
16	B₂	3141	3005	32.86	77.95	0.75	0.86
17	B₂	2979	2850	58.12	2.27	0.75	0.86
18	B₂	1500	1435	16.50	3.80	0.75	0.86
19	B₂	1465	1401	3.10	6.50	0.75	0.86
20	B₂	1227	1174	121.84	0.30	0.75	0.86
21	B₂	1138	1089	21.68	3.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.588
C2	0.000	1.162	-0.194
C3	0.000	-1.162	-0.194
H4	0.000	2.015	0.484
H5	0.000	-2.015	0.484
H6	0.891	1.221	-0.836
H7	-0.891	1.221	-0.836
H8	-0.891	-1.221	-0.836
H9	0.891	-1.221	-0.836

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4010	1.4010	2.0177	2.0177	2.0764	2.0764	2.0764	2.0764
C2	1.4010		2.3246	1.0897	3.2490	1.0996	1.0996	2.6236	2.6236
C3	1.4010	2.3246		3.2490	1.0897	2.6236	2.6236	1.0996	1.0996
H4	2.0177	1.0897	3.2490		4.0301	1.7800	1.7800	3.6064	3.6064
H5	2.0177	3.2490	1.0897	4.0301		3.6064	3.6064	1.7800	1.7800
H6	2.0764	1.0996	2.6236	1.7800	3.6064		1.7818	3.0222	2.4411
H7	2.0764	1.0996	2.6236	1.7800	3.6064	1.7818		2.4411	3.0222
H8	2.0764	2.6236	1.0996	3.6064	1.7800	3.0222	2.4411		1.7818
H9	2.0764	2.6236	1.0996	3.6064	1.7800	2.4411	3.0222	1.7818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.550	O1	C2	H6	111.709
O1	C2	H7	111.709	O1	C3	H5	107.550
O1	C3	H8	111.709	O1	C3	H9	111.709
C2	O1	C3	112.115	H4	C2	H6	108.784
H4	C2	H7	108.784	H5	C3	H8	108.784
H5	C3	H9	108.784	H6	C2	H7	108.231
H8	C3	H9	108.231

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

using model chemistry: mPW1PW91/6-311G**

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	-0.353
2	C	-0.142
3	C	-0.142
4	H	0.124
5	H	0.124
6	H	0.097
7	H	0.097
8	H	0.097
9	H	0.097

<r²>	52.070
(<r²>)^1/2	7.216

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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