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	hartrees
Energy at 0K	-154.954590
Energy at 298.15K	-154.961192
HF Energy	-154.954590
Nuclear repulsion energy	83.222563

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	3075	3075	27.88	108.55	0.30	0.46
2	A₁	2915	2915	77.39	350.16	0.02	0.03
3	A₁	1456	1456	2.74	4.29	0.73	0.85
4	A₁	1431	1431	0.03	4.24	0.74	0.85
5	A₁	1227	1227	6.11	0.36	0.72	0.84
6	A₁	907	907	35.37	7.74	0.33	0.49
7	A₁	412	412	2.19	1.61	0.16	0.27
8	A₂	2963	2963	0.00	28.37	0.75	0.86
9	A₂	1422	1422	0.00	13.27	0.75	0.86
10	A₂	1122	1122	0.00	1.97	0.75	0.86
11	A₂	197	197	0.00	0.35	0.75	0.86
12	B₁	2957	2957	158.42	124.08	0.75	0.86
13	B₁	1436	1436	11.78	0.11	0.75	0.86
14	B₁	1152	1152	6.45	0.02	0.75	0.86
15	B₁	246	246	5.19	0.00	0.75	0.86
16	B₂	3073	3073	35.41	72.72	0.75	0.86
17	B₂	2902	2902	75.46	3.84	0.75	0.86
18	B₂	1439	1439	11.01	1.83	0.75	0.86
19	B₂	1402	1402	2.88	2.08	0.75	0.86
20	B₂	1145	1145	80.16	0.16	0.75	0.86
21	B₂	1080	1080	60.89	1.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.598
C2	0.000	1.178	-0.199
C3	0.000	-1.178	-0.199
H4	0.000	2.035	0.491
H5	0.000	-2.035	0.491
H6	0.901	1.229	-0.845
H7	-0.901	1.229	-0.845
H8	-0.901	-1.229	-0.845
H9	0.901	-1.229	-0.845

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4221	1.4221	2.0377	2.0377	2.0984	2.0984	2.0984	2.0984
C2	1.4221		2.3567	1.0999	3.2865	1.1098	1.1098	2.6505	2.6505
C3	1.4221	2.3567		3.2865	1.0999	2.6505	2.6505	1.1098	1.1098
H4	2.0377	1.0999	3.2865		4.0699	1.8018	1.8018	3.6403	3.6403
H5	2.0377	3.2865	1.0999	4.0699		3.6403	3.6403	1.8018	1.8018
H6	2.0984	1.1098	2.6505	1.8018	3.6403		1.8012	3.0476	2.4583
H7	2.0984	1.1098	2.6505	1.8018	3.6403	1.8012		2.4583	3.0476
H8	2.0984	2.6505	1.1098	3.6403	1.8018	3.0476	2.4583		1.8012
H9	2.0984	2.6505	1.1098	3.6403	1.8018	2.4583	3.0476	1.8012

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.106	O1	C2	H6	111.353
O1	C2	H7	111.353	O1	C3	H5	107.106
O1	C3	H8	111.353	O1	C3	H9	111.353
C2	O1	C3	111.903	H4	C2	H6	109.251
H4	C2	H7	109.251	H5	C3	H8	109.251
H5	C3	H9	109.251	H6	C2	H7	108.488
H8	C3	H9	108.488

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

using model chemistry: B97D3/aug-cc-pVDZ

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	-0.518
2	C	0.939
3	C	0.939
4	H	-0.369
5	H	-0.369
6	H	-0.155
7	H	-0.155
8	H	-0.155
9	H	-0.155

<r²>	53.351
(<r²>)^1/2	7.304

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

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

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