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	hartrees
Energy at 0K	-155.048641
Energy at 298.15K	-155.055342
HF Energy	-155.048641
Nuclear repulsion energy	84.331247

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	3135	3135	20.64	98.85	0.29	0.45
2	A₁	2988	2988	65.04	330.96	0.02	0.03
3	A₁	1520	1520	4.30	3.74	0.70	0.82
4	A₁	1499	1499	0.41	3.87	0.74	0.85
5	A₁	1281	1281	6.87	0.43	0.75	0.85
6	A₁	973	973	37.15	7.44	0.32	0.49
7	A₁	425	425	2.42	0.95	0.12	0.22
8	A₂	3035	3035	0.00	17.90	0.75	0.86
9	A₂	1490	1490	0.00	11.13	0.75	0.86
10	A₂	1175	1175	0.00	1.49	0.75	0.86
11	A₂	209	209	0.00	0.17	0.75	0.86
12	B₁	3028	3028	125.32	101.87	0.75	0.86
13	B₁	1501	1501	16.30	0.07	0.75	0.86
14	B₁	1206	1206	7.00	0.00	0.75	0.86
15	B₁	255	255	5.26	0.00	0.75	0.86
16	B₂	3134	3134	30.25	64.23	0.75	0.86
17	B₂	2978	2978	57.69	1.94	0.75	0.86
18	B₂	1502	1502	13.32	1.41	0.75	0.86
19	B₂	1469	1469	1.41	1.26	0.75	0.86
20	B₂	1233	1233	125.68	0.75	0.75	0.86
21	B₂	1141	1141	24.51	1.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.585
C2	0.000	1.164	-0.193
C3	0.000	-1.164	-0.193
H4	0.000	2.015	0.485
H5	0.000	-2.015	0.485
H6	0.889	1.219	-0.833
H7	-0.889	1.219	-0.833
H8	-0.889	-1.219	-0.833
H9	0.889	-1.219	-0.833

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4003	1.4003	2.0172	2.0172	2.0708	2.0708	2.0708	2.0708
C2	1.4003		2.3289	1.0876	3.2507	1.0970	1.0970	2.6236	2.6236
C3	1.4003	2.3289		3.2507	1.0876	2.6236	2.6236	1.0970	1.0970
H4	2.0172	1.0876	3.2507		4.0295	1.7778	1.7778	3.6040	3.6040
H5	2.0172	3.2507	1.0876	4.0295		3.6040	3.6040	1.7778	1.7778
H6	2.0708	1.0970	2.6236	1.7778	3.6040		1.7787	3.0187	2.4390
H7	2.0708	1.0970	2.6236	1.7778	3.6040	1.7787		2.4390	3.0187
H8	2.0708	2.6236	1.0970	3.6040	1.7778	3.0187	2.4390		1.7787
H9	2.0708	2.6236	1.0970	3.6040	1.7778	2.4390	3.0187	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.684	O1	C2	H6	111.454
O1	C2	H7	111.454	O1	C3	H5	107.684
O1	C3	H8	111.454	O1	C3	H9	111.454
C2	O1	C3	112.514	H4	C2	H6	108.933
H4	C2	H7	108.933	H5	C3	H8	108.933
H5	C3	H9	108.933	H6	C2	H7	108.327
H8	C3	H9	108.327

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

using model chemistry: wB97X-D/aug-cc-pVQZ

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	-0.717
2	C	0.048
3	C	0.048
4	H	0.197
5	H	0.197
6	H	0.057
7	H	0.057
8	H	0.057
9	H	0.057

<r²>	52.164
(<r²>)^1/2	7.222

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

using model chemistry: wB97X-D/aug-cc-pVQZ

States and conformations

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