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	hartrees
Energy at 0K	-154.897425
Energy at 298.15K	-154.904099
HF Energy	-154.897425
Nuclear repulsion energy	84.390494

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	3132	3132	19.33	99.96	0.30	0.46
2	A₁	2987	2987	62.12	289.70	0.02	0.03
3	A₁	1510	1510	4.93	5.37	0.75	0.85
4	A₁	1486	1486	0.13	3.19	0.74	0.85
5	A₁	1272	1272	6.55	0.41	0.59	0.74
6	A₁	978	978	36.55	7.23	0.29	0.45
7	A₁	412	412	2.53	0.90	0.11	0.20
8	A₂	3033	3033	0.00	18.94	0.75	0.86
9	A₂	1479	1479	0.00	12.05	0.75	0.86
10	A₂	1167	1167	0.00	1.55	0.75	0.86
11	A₂	211	211	0.00	0.20	0.75	0.86
12	B₁	3027	3027	121.43	102.61	0.75	0.86
13	B₁	1487	1487	16.88	0.06	0.75	0.86
14	B₁	1197	1197	6.70	0.04	0.75	0.86
15	B₁	245	245	5.29	0.01	0.75	0.86
16	B₂	3131	3131	28.57	64.87	0.75	0.86
17	B₂	2977	2977	58.69	1.87	0.75	0.86
18	B₂	1492	1492	14.04	1.49	0.75	0.86
19	B₂	1457	1457	0.86	1.45	0.75	0.86
20	B₂	1229	1229	126.05	0.91	0.75	0.86
21	B₂	1135	1135	19.84	1.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.586
C2	0.000	1.161	-0.193
C3	0.000	-1.161	-0.193
H4	0.000	2.015	0.484
H5	0.000	-2.015	0.484
H6	0.890	1.216	-0.834
H7	-0.890	1.216	-0.834
H8	-0.890	-1.216	-0.834
H9	0.890	-1.216	-0.834

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.3982	1.3982	2.0177	2.0177	2.0709	2.0709	2.0709	2.0709
C2	1.3982		2.3225	1.0895	3.2476	1.0987	1.0987	2.6184	2.6184
C3	1.3982	2.3225		3.2476	1.0895	2.6184	2.6184	1.0987	1.0987
H4	2.0177	1.0895	3.2476		4.0302	1.7801	1.7801	3.6015	3.6015
H5	2.0177	3.2476	1.0895	4.0302		3.6015	3.6015	1.7801	1.7801
H6	2.0709	1.0987	2.6184	1.7801	3.6015		1.7808	3.0144	2.4322
H7	2.0709	1.0987	2.6184	1.7801	3.6015	1.7808		2.4322	3.0144
H8	2.0709	2.6184	1.0987	3.6015	1.7801	3.0144	2.4322		1.7808
H9	2.0709	2.6184	1.0987	3.6015	1.7801	2.4322	3.0144	1.7808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.750	O1	C2	H6	111.506
O1	C2	H7	111.506	O1	C3	H5	107.750
O1	C3	H8	111.506	O1	C3	H9	111.506
C2	O1	C3	112.303	H4	C2	H6	108.874
H4	C2	H7	108.874	H5	C3	H8	108.874
H5	C3	H9	108.874	H6	C2	H7	108.270
H8	C3	H9	108.270

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

using model chemistry: PBE1PBE/6-311+G(3df,2p)

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	-0.629
2	C	0.010
3	C	0.010
4	H	0.105
5	H	0.105
6	H	0.100
7	H	0.100
8	H	0.100
9	H	0.100

<r²>	52.131
(<r²>)^1/2	7.220

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

using model chemistry: PBE1PBE/6-311+G(3df,2p)

States and conformations

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