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	hartrees
Energy at 0K	-154.801261
Energy at 298.15K	-154.807898
HF Energy	-154.801261
Nuclear repulsion energy	82.803385

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	3191	3053	24.70	90.36	0.36	0.52
2	A₁	3020	2889	51.94	229.89	0.03	0.06
3	A₁	1559	1492	2.24	27.99	0.74	0.85
4	A₁	1516	1450	0.26	13.30	0.72	0.83
5	A₁	1264	1209	0.07	5.27	0.64	0.78
6	A₁	912	873	26.12	12.24	0.38	0.55
7	A₁	402	385	4.02	0.49	0.06	0.12
8	A₂	3080	2946	0.00	16.73	0.75	0.86
9	A₂	1525	1459	0.00	47.52	0.75	0.86
10	A₂	1161	1110	0.00	12.34	0.75	0.86
11	A₂	219	210	0.00	0.26	0.75	0.86
12	B₁	3077	2943	147.01	100.22	0.75	0.86
13	B₁	1533	1467	19.98	0.72	0.75	0.86
14	B₁	1191	1139	3.36	4.53	0.75	0.86
15	B₁	237	227	9.38	0.01	0.75	0.86
16	B₂	3189	3050	22.46	78.14	0.75	0.86
17	B₂	3010	2879	51.70	1.75	0.75	0.86
18	B₂	1540	1473	17.19	5.61	0.75	0.86
19	B₂	1488	1424	1.56	10.13	0.75	0.86
20	B₂	1187	1135	65.50	0.42	0.75	0.86
21	B₂	1109	1061	42.78	6.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.594
C2	0.000	1.197	-0.200
C3	0.000	-1.197	-0.200
H4	0.000	2.033	0.500
H5	0.000	-2.033	0.500
H6	0.893	1.258	-0.839
H7	-0.893	1.258	-0.839
H8	-0.893	-1.258	-0.839
H9	0.893	-1.258	-0.839

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4360	1.4360	2.0349	2.0349	2.1054	2.1054	2.1054	2.1054
C2	1.4360		2.3937	1.0901	3.3046	1.0999	1.0999	2.6892	2.6892
C3	1.4360	2.3937		3.3046	1.0901	2.6892	2.6892	1.0999	1.0999
H4	2.0349	1.0901	3.3046		4.0655	1.7862	1.7862	3.6631	3.6631
H5	2.0349	3.3046	1.0901	4.0655		3.6631	3.6631	1.7862	1.7862
H6	2.1054	1.0999	2.6892	1.7862	3.6631		1.7861	3.0854	2.5158
H7	2.1054	1.0999	2.6892	1.7862	3.6631	1.7861		2.5158	3.0854
H8	2.1054	2.6892	1.0999	3.6631	1.7862	3.0854	2.5158		1.7861
H9	2.1054	2.6892	1.0999	3.6631	1.7862	2.5158	3.0854	1.7861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.525	O1	C2	H6	111.554
O1	C2	H7	111.554	O1	C3	H5	106.525
O1	C3	H8	111.554	O1	C3	H9	111.554
C2	O1	C3	112.909	H4	C2	H6	109.295
H4	C2	H7	109.295	H5	C3	H8	109.295
H5	C3	H9	109.295	H6	C2	H7	108.570
H8	C3	H9	108.570

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

using model chemistry: HSEh1PBE/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	-0.524
2	C	-0.225
3	C	-0.225
4	H	0.187
5	H	0.187
6	H	0.150
7	H	0.150
8	H	0.150
9	H	0.150

<r²>	53.625
(<r²>)^1/2	7.323

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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