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	hartrees
Energy at 0K	-154.886162
Energy at 298.15K	-154.892810
HF Energy	-154.717302
Nuclear repulsion energy	83.560415

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	3157	3037	21.68	97.34	0.31	0.48
2	A₁	3004	2889	64.36	327.68	0.02	0.03
3	A₁	1498	1441	3.40	5.09	0.74	0.85
4	A₁	1471	1415	0.01	3.01	0.74	0.85
5	A₁	1262	1213	6.65	0.43	0.60	0.75
6	A₁	939	904	35.15	9.48	0.27	0.42
7	A₁	416	400	2.35	1.22	0.14	0.25
8	A₂	3058	2941	0.00	18.88	0.75	0.86
9	A₂	1467	1411	0.00	12.14	0.75	0.86
10	A₂	1154	1110	0.00	1.68	0.75	0.86
11	A₂	198	191	0.00	0.23	0.75	0.86
12	B₁	3053	2936	123.71	104.51	0.75	0.86
13	B₁	1480	1424	13.56	0.05	0.75	0.86
14	B₁	1185	1139	7.08	0.01	0.75	0.86
15	B₁	248	239	5.35	0.00	0.75	0.86
16	B₂	3156	3036	28.34	65.33	0.75	0.86
17	B₂	2994	2880	59.46	1.66	0.75	0.86
18	B₂	1482	1426	11.13	1.31	0.75	0.86
19	B₂	1440	1385	2.33	1.55	0.75	0.86
20	B₂	1192	1146	99.45	0.63	0.75	0.86
21	B₂	1113	1071	39.48	1.75	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.596
C2	0.000	1.174	-0.198
C3	0.000	-1.174	-0.198
H4	0.000	2.029	0.486
H5	0.000	-2.029	0.486
H6	0.897	1.221	-0.841
H7	-0.897	1.221	-0.841
H8	-0.897	-1.221	-0.841
H9	0.897	-1.221	-0.841

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4172	1.4172	2.0320	2.0320	2.0882	2.0882	2.0882	2.0882
C2	1.4172		2.3474	1.0952	3.2750	1.1041	1.1041	2.6370	2.6370
C3	1.4172	2.3474		3.2750	1.0952	2.6370	2.6370	1.1041	1.1041
H4	2.0320	1.0952	3.2750		4.0581	1.7933	1.7933	3.6235	3.6235
H5	2.0320	3.2750	1.0952	4.0581		3.6235	3.6235	1.7933	1.7933
H6	2.0882	1.1041	2.6370	1.7933	3.6235		1.7935	3.0306	2.4429
H7	2.0882	1.1041	2.6370	1.7933	3.6235	1.7935		2.4429	3.0306
H8	2.0882	2.6370	1.1041	3.6235	1.7933	3.0306	2.4429		1.7935
H9	2.0882	2.6370	1.1041	3.6235	1.7933	2.4429	3.0306	1.7935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.262	O1	C2	H6	111.220
O1	C2	H7	111.220	O1	C3	H5	107.262
O1	C3	H8	111.220	O1	C3	H9	111.220
C2	O1	C3	111.822	H4	C2	H6	109.245
H4	C2	H7	109.245	H5	C3	H8	109.245
H5	C3	H9	109.245	H6	C2	H7	108.612
H8	C3	H9	108.612

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CH3OCH3 (Dimethyl ether)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

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