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	hartrees
Energy at 0K	-154.959351
Energy at 298.15K	-154.966026
HF Energy	-154.761897
Nuclear repulsion energy	83.985702

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	3020	19.65	99.09	0.29	0.45
2	A₁	3000	2883	64.18	331.50	0.02	0.03
3	A₁	1526	1467	3.19	5.38	0.73	0.85
4	A₁	1497	1439	0.00	2.32	0.73	0.85
5	A₁	1276	1226	6.43	0.42	0.70	0.82
6	A₁	944	907	36.08	9.03	0.28	0.43
7	A₁	413	397	2.43	1.09	0.15	0.25
8	A₂	3046	2927	0.00	18.17	0.75	0.86
9	A₂	1499	1441	0.00	11.41	0.75	0.86
10	A₂	1171	1125	0.00	1.64	0.75	0.86
11	A₂	210	201	0.00	0.18	0.75	0.86
12	B₁	3040	2921	119.98	101.99	0.75	0.86
13	B₁	1508	1450	13.23	0.05	0.75	0.86
14	B₁	1200	1153	7.49	0.01	0.75	0.86
15	B₁	248	238	5.22	0.00	0.75	0.86
16	B₂	3142	3019	28.64	64.25	0.75	0.86
17	B₂	2991	2874	55.96	2.03	0.75	0.86
18	B₂	1512	1453	11.07	1.36	0.75	0.86
19	B₂	1468	1411	2.79	1.33	0.75	0.86
20	B₂	1203	1156	96.06	0.50	0.75	0.86
21	B₂	1124	1081	47.14	1.81	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.593
C2	0.000	1.170	-0.197
C3	0.000	-1.170	-0.197
H4	0.000	2.019	0.481
H5	0.000	-2.019	0.481
H6	0.889	1.219	-0.835
H7	-0.889	1.219	-0.835
H8	-0.889	-1.219	-0.835
H9	0.889	-1.219	-0.835

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4114	1.4114	2.0220	2.0220	2.0770	2.0770	2.0770	2.0770
C2	1.4114		2.3398	1.0864	3.2601	1.0953	1.0953	2.6277	2.6277
C3	1.4114	2.3398		3.2601	1.0864	2.6277	2.6277	1.0953	1.0953
H4	2.0220	1.0864	3.2601		4.0379	1.7779	1.7779	3.6065	3.6065
H5	2.0220	3.2601	1.0864	4.0379		3.6065	3.6065	1.7779	1.7779
H6	2.0770	1.0953	2.6277	1.7779	3.6065		1.7783	3.0179	2.4384
H7	2.0770	1.0953	2.6277	1.7779	3.6065	1.7783		2.4384	3.0179
H8	2.0770	2.6277	1.0953	3.6065	1.7779	3.0179	2.4384		1.7783
H9	2.0770	2.6277	1.0953	3.6065	1.7779	2.4384	3.0179	1.7783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.386	O1	C2	H6	111.284
O1	C2	H7	111.284	O1	C3	H5	107.386
O1	C3	H8	111.284	O1	C3	H9	111.284
C2	O1	C3	111.974	H4	C2	H6	109.154
H4	C2	H7	109.154	H5	C3	H8	109.154
H5	C3	H9	109.154	H6	C2	H7	108.536
H8	C3	H9	108.536

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

using model chemistry: B2PLYP/aug-cc-pVTZ

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	-0.436
2	C	-0.662
3	C	-0.662
4	H	0.305
5	H	0.305
6	H	0.287
7	H	0.287
8	H	0.287
9	H	0.287

<r²>	52.628
(<r²>)^1/2	7.255

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

using model chemistry: B2PLYP/aug-cc-pVTZ

States and conformations

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