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	hartrees
Energy at 0K	-154.992976
Energy at 298.15K	-154.999600
HF Energy	-154.992976
Nuclear repulsion energy	83.629210

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	3058	3019	25.26	109.56	0.29	0.45
2	A₁	2910	2872	76.61	300.52	0.02	0.04
3	A₁	1484	1464	2.79	5.59	0.75	0.86
4	A₁	1457	1438	0.04	3.36	0.74	0.85
5	A₁	1241	1225	5.60	0.38	0.73	0.84
6	A₁	911	899	36.34	7.45	0.29	0.45
7	A₁	409	403	2.31	1.22	0.15	0.26
8	A₂	2948	2909	0.00	25.25	0.75	0.86
9	A₂	1452	1433	0.00	13.01	0.75	0.86
10	A₂	1140	1125	0.00	2.02	0.75	0.86
11	A₂	208	205	0.00	0.27	0.75	0.86
12	B₁	2942	2904	153.11	116.98	0.75	0.86
13	B₁	1461	1442	12.47	0.07	0.75	0.86
14	B₁	1168	1153	6.97	0.01	0.75	0.86
15	B₁	245	241	5.23	0.01	0.75	0.86
16	B₂	3057	3017	36.52	70.68	0.75	0.86
17	B₂	2897	2860	69.82	3.79	0.75	0.86
18	B₂	1467	1448	11.70	1.81	0.75	0.86
19	B₂	1431	1412	2.84	1.87	0.75	0.86
20	B₂	1157	1142	72.45	0.13	0.75	0.86
21	B₂	1089	1075	71.91	2.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.593
C2	0.000	1.175	-0.197
C3	0.000	-1.175	-0.197
H4	0.000	2.026	0.488
H5	0.000	-2.026	0.488
H6	0.894	1.228	-0.839
H7	-0.894	1.228	-0.839
H8	-0.894	-1.228	-0.839
H9	0.894	-1.228	-0.839

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4154	1.4154	2.0292	2.0292	2.0878	2.0878	2.0878	2.0878
C2	1.4154		2.3492	1.0927	3.2734	1.1025	1.1025	2.6428	2.6428
C3	1.4154	2.3492		3.2734	1.0927	2.6428	2.6428	1.1025	1.1025
H4	2.0292	1.0927	3.2734		4.0529	1.7885	1.7885	3.6265	3.6265
H5	2.0292	3.2734	1.0927	4.0529		3.6265	3.6265	1.7885	1.7885
H6	2.0878	1.1025	2.6428	1.7885	3.6265		1.7885	3.0379	2.4556
H7	2.0878	1.1025	2.6428	1.7885	3.6265	1.7885		2.4556	3.0379
H8	2.0878	2.6428	1.1025	3.6265	1.7885	3.0379	2.4556		1.7885
H9	2.0878	2.6428	1.1025	3.6265	1.7885	2.4556	3.0379	1.7885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.309	O1	C2	H6	111.427
O1	C2	H7	111.427	O1	C3	H5	107.309
O1	C3	H8	111.427	O1	C3	H9	111.427
C2	O1	C3	112.174	H4	C2	H6	109.117
H4	C2	H7	109.117	H5	C3	H8	109.117
H5	C3	H9	109.117	H6	C2	H7	108.399
H8	C3	H9	108.399

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

using model chemistry: B97D3/6-311+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	-0.572
2	C	-0.018
3	C	-0.018
4	H	0.104
5	H	0.104
6	H	0.100
7	H	0.100
8	H	0.100
9	H	0.100

<r²>	52.952
(<r²>)^1/2	7.277

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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