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	hartrees
Energy at 0K	-154.901637
Energy at 298.15K	-154.908307
HF Energy	-154.901637
Nuclear repulsion energy	84.311535

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	3132	3011	19.03	101.92	0.29	0.45
2	A₁	2988	2873	62.09	334.50	0.02	0.03
3	A₁	1507	1449	4.65	4.74	0.72	0.84
4	A₁	1482	1424	0.06	3.11	0.72	0.83
5	A₁	1269	1220	6.84	0.40	0.75	0.85
6	A₁	974	936	36.39	7.31	0.33	0.50
7	A₁	410	394	2.44	1.07	0.12	0.22
8	A₂	3033	2917	0.00	19.40	0.75	0.86
9	A₂	1476	1419	0.00	11.56	0.75	0.86
10	A₂	1163	1118	0.00	1.48	0.75	0.86
11	A₂	210	202	0.00	0.19	0.75	0.86
12	B₁	3027	2910	120.57	103.09	0.75	0.86
13	B₁	1485	1428	16.07	0.08	0.75	0.86
14	B₁	1192	1146	6.66	0.00	0.75	0.86
15	B₁	244	235	5.07	0.00	0.75	0.86
16	B₂	3130	3010	27.89	65.52	0.75	0.86
17	B₂	2977	2862	58.20	2.02	0.75	0.86
18	B₂	1489	1432	13.35	1.49	0.75	0.86
19	B₂	1452	1396	1.03	1.39	0.75	0.86
20	B₂	1223	1176	126.32	0.84	0.75	0.86
21	B₂	1132	1088	19.84	1.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.588
C2	0.000	1.162	-0.194
C3	0.000	-1.162	-0.194
H4	0.000	2.016	0.483
H5	0.000	-2.016	0.483
H6	0.891	1.216	-0.835
H7	-0.891	1.216	-0.835
H8	-0.891	-1.216	-0.835
H9	0.891	-1.216	-0.835

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4006	1.4006	2.0189	2.0189	2.0726	2.0726	2.0726	2.0726
C2	1.4006		2.3243	1.0896	3.2496	1.0987	1.0987	2.6188	2.6188
C3	1.4006	2.3243		3.2496	1.0896	2.6188	2.6188	1.0987	1.0987
H4	2.0189	1.0896	3.2496		4.0324	1.7807	1.7807	3.6021	3.6021
H5	2.0189	3.2496	1.0896	4.0324		3.6021	3.6021	1.7807	1.7807
H6	2.0726	1.0987	2.6188	1.7807	3.6021		1.7811	3.0139	2.4314
H7	2.0726	1.0987	2.6188	1.7807	3.6021	1.7811		2.4314	3.0139
H8	2.0726	2.6188	1.0987	3.6021	1.7807	3.0139	2.4314		1.7811
H9	2.0726	2.6188	1.0987	3.6021	1.7807	2.4314	3.0139	1.7811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.686	O1	C2	H6	111.480
O1	C2	H7	111.480	O1	C3	H5	107.686
O1	C3	H8	111.480	O1	C3	H9	111.480
C2	O1	C3	112.150	H4	C2	H6	108.919
H4	C2	H7	108.919	H5	C3	H8	108.919
H5	C3	H9	108.919	H6	C2	H7	108.300
H8	C3	H9	108.300

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

using model chemistry: PBE1PBE/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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Number	Element	Mulliken
1	O	-0.400
2	C	-0.603
3	C	-0.603
4	H	0.283
5	H	0.283
6	H	0.260
7	H	0.260
8	H	0.260
9	H	0.260

<r²>	52.204
(<r²>)^1/2	7.225

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

using model chemistry: PBE1PBE/aug-cc-pVTZ

States and conformations

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