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	hartrees
Energy at 0K	-154.973359
Energy at 298.15K	-154.980045
Nuclear repulsion energy	84.046889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3141	3011	28.32
2	A₁	2987	2863	59.51
3	A₁	1531	1467	0.82
4	A₁	1499	1437	0.05
5	A₁	1271	1218	4.66
6	A₁	974	934	35.38
7	A₁	413	396	2.64
8	A₂	3033	2907	0.00
9	A₂	1488	1426	0.00
10	A₂	1167	1118	0.00
11	A₂	223	213	0.00
12	B₁	3028	2902	151.57
13	B₁	1498	1436	11.58
14	B₁	1202	1152	5.58
15	B₁	250	239	6.33
16	B₂	3140	3009	32.77
17	B₂	2973	2849	61.07
18	B₂	1506	1443	14.80
19	B₂	1467	1406	7.14
20	B₂	1226	1175	124.39
21	B₂	1137	1090	18.73

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.590
C2	0.000	1.165	-0.195
C3	0.000	-1.165	-0.195
H4	0.000	2.019	0.487
H5	0.000	-2.019	0.487
H6	0.892	1.227	-0.840
H7	-0.892	1.227	-0.840
H8	-0.892	-1.227	-0.840
H9	0.892	-1.227	-0.840

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4043	1.4043	2.0218	2.0218	2.0846	2.0846	2.0846	2.0846
C2	1.4043		2.3294	1.0928	3.2559	1.1025	1.1025	2.6329	2.6329
C3	1.4043	2.3294		3.2559	1.0928	2.6329	2.6329	1.1025	1.1025
H4	2.0218	1.0928	3.2559		4.0383	1.7839	1.7839	3.6184	3.6184
H5	2.0218	3.2559	1.0928	4.0383		3.6184	3.6184	1.7839	1.7839
H6	2.0846	1.1025	2.6329	1.7839	3.6184		1.7832	3.0337	2.4542
H7	2.0846	1.1025	2.6329	1.7839	3.6184	1.7832		2.4542	3.0337
H8	2.0846	2.6329	1.1025	3.6184	1.7839	3.0337	2.4542		1.7832
H9	2.0846	2.6329	1.1025	3.6184	1.7839	2.4542	3.0337	1.7832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.473	O1	C2	H6	111.963
O1	C2	H7	111.963	O1	C3	H5	107.473
O1	C3	H8	111.963	O1	C3	H9	111.963
C2	O1	C3	112.073	H4	C2	H6	108.703
H4	C2	H7	108.703	H5	C3	H8	108.703
H5	C3	H9	108.703	H6	C2	H7	107.949
H8	C3	H9	107.949

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

using model chemistry: B3PW91/6-31G**

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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Number	Element	Mulliken
1	O	-0.465
2	C	-0.124
3	C	-0.124
4	H	0.139
5	H	0.139
6	H	0.109
7	H	0.109
8	H	0.109
9	H	0.109

<r²>	52.173
(<r²>)^1/2	7.223

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

using model chemistry: B3PW91/6-31G**

States and conformations

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