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	hartrees
Energy at 0K	-30.866866
Energy at 298.15K	-30.873525
HF Energy	-30.866866
Nuclear repulsion energy	49.753869

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	3125	3018	46.74	92.63	0.35	0.51
2	A₁	2986	2884	90.99	253.02	0.03	0.06
3	A₁	1515	1463	1.08	15.24	0.75	0.86
4	A₁	1489	1438	0.56	16.73	0.68	0.81
5	A₁	1258	1214	2.17	4.88	0.57	0.73
6	A₁	942	910	38.34	14.91	0.31	0.47
7	A₁	411	397	2.99	0.28	0.26	0.42
8	A₂	3029	2926	0.00	12.08	0.75	0.86
9	A₂	1477	1427	0.00	35.11	0.75	0.86
10	A₂	1155	1115	0.00	14.56	0.75	0.86
11	A₂	222	214	0.00	0.76	0.75	0.86
12	B₁	3027	2923	195.83	101.57	0.75	0.86
13	B₁	1489	1438	12.41	0.52	0.75	0.86
14	B₁	1183	1142	3.10	3.78	0.75	0.86
15	B₁	254	246	7.02	0.00	0.75	0.86
16	B₂	3120	3013	48.61	76.23	0.75	0.86
17	B₂	2974	2872	77.46	0.47	0.75	0.86
18	B₂	1492	1441	13.68	2.30	0.75	0.86
19	B₂	1461	1411	5.93	8.52	0.75	0.86
20	B₂	1191	1151	107.33	0.39	0.75	0.86
21	B₂	1114	1076	38.71	6.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.601
C2	0.000	1.178	-0.199
C3	0.000	-1.178	-0.199
H4	0.000	2.040	0.486
H5	0.000	-2.040	0.486
H6	0.901	1.232	-0.847
H7	-0.901	1.232	-0.847
H8	-0.901	-1.232	-0.847
H9	0.901	-1.232	-0.847

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4246	1.4246	2.0436	2.0436	2.1045	2.1045	2.1045	2.1045
C2	1.4246		2.3566	1.1015	3.2909	1.1112	1.1112	2.6537	2.6537
C3	1.4246	2.3566		3.2909	1.1015	2.6537	2.6537	1.1112	1.1112
H4	2.0436	1.1015	3.2909		4.0808	1.8011	1.8011	3.6469	3.6469
H5	2.0436	3.2909	1.1015	4.0808		3.6469	3.6469	1.8011	1.8011
H6	2.1045	1.1112	2.6537	1.8011	3.6469		1.8020	3.0528	2.4642
H7	2.1045	1.1112	2.6537	1.8011	3.6469	1.8020		2.4642	3.0528
H8	2.1045	2.6537	1.1112	3.6469	1.8011	3.0528	2.4642		1.8020
H9	2.1045	2.6537	1.1112	3.6469	1.8011	2.4642	3.0528	1.8020

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.308	O1	C2	H6	111.583
O1	C2	H7	111.583	O1	C3	H5	107.308
O1	C3	H8	111.583	O1	C3	H9	111.583
C2	O1	C3	111.609	H4	C2	H6	108.975
H4	C2	H7	108.975	H5	C3	H8	108.975
H5	C3	H9	108.975	H6	C2	H7	108.358
H8	C3	H9	108.358

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

using model chemistry: B3LYP/CEP-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	-0.200
2	C	-0.410
3	C	-0.410
4	H	0.216
5	H	0.216
6	H	0.147
7	H	0.147
8	H	0.147
9	H	0.147

<r²>	46.525
(<r²>)^1/2	6.821

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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