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	hartrees
Energy at 0K	-154.955302
Energy at 298.15K	-154.961962
HF Energy	-154.955302
Nuclear repulsion energy	84.217601

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	3165	3028	21.37	104.36	0.35	0.52
2	A₁	3010	2879	70.02	254.22	0.02	0.05
3	A₁	1521	1455	2.84	11.44	0.72	0.84
4	A₁	1491	1426	0.39	7.67	0.73	0.84
5	A₁	1269	1214	6.30	1.45	0.63	0.77
6	A₁	976	934	41.43	8.15	0.35	0.52
7	A₁	404	386	2.47	0.76	0.09	0.16
8	A₂	3063	2930	0.00	19.73	0.75	0.86
9	A₂	1487	1423	0.00	24.72	0.75	0.86
10	A₂	1167	1116	0.00	4.22	0.75	0.86
11	A₂	213	204	0.00	0.35	0.75	0.86
12	B₁	3056	2923	137.59	119.40	0.75	0.86
13	B₁	1496	1431	16.54	0.02	0.75	0.86
14	B₁	1196	1144	7.87	0.49	0.75	0.86
15	B₁	244	234	7.03	0.06	0.75	0.86
16	B₂	3165	3027	30.41	74.49	0.75	0.86
17	B₂	2999	2869	65.34	1.85	0.75	0.86
18	B₂	1501	1436	15.75	1.67	0.75	0.86
19	B₂	1463	1400	2.30	6.75	0.75	0.86
20	B₂	1234	1180	132.69	0.53	0.75	0.86
21	B₂	1136	1086	16.93	3.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.587
C2	0.000	1.165	-0.194
C3	0.000	-1.165	-0.194
H4	0.000	2.015	0.487
H5	0.000	-2.015	0.487
H6	0.892	1.220	-0.834
H7	-0.892	1.220	-0.834
H8	-0.892	-1.220	-0.834
H9	0.892	-1.220	-0.834

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4026	1.4026	2.0177	2.0177	2.0743	2.0743	2.0743	2.0743
C2	1.4026		2.3296	1.0896	3.2521	1.0989	1.0989	2.6248	2.6248
C3	1.4026	2.3296		3.2521	1.0896	2.6248	2.6248	1.0989	1.0989
H4	2.0177	1.0896	3.2521		4.0304	1.7815	1.7815	3.6061	3.6061
H5	2.0177	3.2521	1.0896	4.0304		3.6061	3.6061	1.7815	1.7815
H6	2.0743	1.0989	2.6248	1.7815	3.6061		1.7831	3.0213	2.4390
H7	2.0743	1.0989	2.6248	1.7815	3.6061	1.7831		2.4390	3.0213
H8	2.0743	2.6248	1.0989	3.6061	1.7815	3.0213	2.4390		1.7831
H9	2.0743	2.6248	1.0989	3.6061	1.7815	2.4390	3.0213	1.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.449	O1	C2	H6	111.461
O1	C2	H7	111.461	O1	C3	H5	107.449
O1	C3	H8	111.461	O1	C3	H9	111.461
C2	O1	C3	112.288	H4	C2	H6	108.981
H4	C2	H7	108.981	H5	C3	H8	108.981
H5	C3	H9	108.981	H6	C2	H7	108.451
H8	C3	H9	108.451

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

using model chemistry: B1B95/6-31+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	-0.336
2	C	-0.257
3	C	-0.257
4	H	0.158
5	H	0.158
6	H	0.133
7	H	0.133
8	H	0.133
9	H	0.133

<r²>	52.281
(<r²>)^1/2	7.231

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

using model chemistry: B1B95/6-31+G**

States and conformations

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