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	hartrees
Energy at 0K	-154.844606
Energy at 298.15K	-154.851188
HF Energy	-154.844606
Nuclear repulsion energy	83.201063

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	3064	3046	20.05	107.76	0.30	0.47
2	A₁	2902	2884	67.60	357.82	0.02	0.03
3	A₁	1433	1424	4.08	4.75	0.74	0.85
4	A₁	1404	1396	0.00	4.22	0.74	0.85
5	A₁	1208	1201	5.70	0.35	0.65	0.79
6	A₁	919	913	34.27	7.05	0.35	0.52
7	A₁	403	401	2.14	1.63	0.15	0.27
8	A₂	2952	2934	0.00	29.51	0.75	0.86
9	A₂	1397	1389	0.00	13.74	0.75	0.86
10	A₂	1105	1098	0.00	1.83	0.75	0.86
11	A₂	201	200	0.00	0.39	0.75	0.86
12	B₁	2945	2927	134.39	125.46	0.75	0.86
13	B₁	1408	1400	14.65	0.08	0.75	0.86
14	B₁	1134	1127	5.73	0.04	0.75	0.86
15	B₁	239	238	4.92	0.01	0.75	0.86
16	B₂	3063	3044	25.51	71.79	0.75	0.86
17	B₂	2890	2872	68.05	3.80	0.75	0.86
18	B₂	1414	1405	12.90	1.93	0.75	0.86
19	B₂	1377	1368	0.94	2.24	0.75	0.86
20	B₂	1145	1138	102.13	0.44	0.75	0.86
21	B₂	1078	1071	25.60	1.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.599
C2	0.000	1.175	-0.199
C3	0.000	-1.175	-0.199
H4	0.000	2.037	0.491
H5	0.000	-2.037	0.491
H6	0.904	1.227	-0.848
H7	-0.904	1.227	-0.848
H8	-0.904	-1.227	-0.848
H9	0.904	-1.227	-0.848

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4206	1.4206	2.0402	2.0402	2.1016	2.1016	2.1016	2.1016
C2	1.4206		2.3509	1.1038	3.2859	1.1139	1.1139	2.6478	2.6478
C3	1.4206	2.3509		3.2859	1.1038	2.6478	2.6478	1.1139	1.1139
H4	2.0402	1.1038	3.2859		4.0746	1.8071	1.8071	3.6423	3.6423
H5	2.0402	3.2859	1.1038	4.0746		3.6423	3.6423	1.8071	1.8071
H6	2.1016	1.1139	2.6478	1.8071	3.6423		1.8070	3.0479	2.4545
H7	2.1016	1.1139	2.6478	1.8071	3.6423	1.8070		2.4545	3.0479
H8	2.1016	2.6478	1.1139	3.6423	1.8071	3.0479	2.4545		1.8070
H9	2.1016	2.6478	1.1139	3.6423	1.8071	2.4545	3.0479	1.8070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.165	O1	C2	H6	111.461
O1	C2	H7	111.461	O1	C3	H5	107.165
O1	C3	H8	111.461	O1	C3	H9	111.461
C2	O1	C3	111.669	H4	C2	H6	109.145
H4	C2	H7	109.145	H5	C3	H8	109.145
H5	C3	H9	109.145	H6	C2	H7	108.417
H8	C3	H9	108.417

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

using model chemistry: PBEPBE/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	-0.465
2	C	0.884
3	C	0.884
4	H	-0.361
5	H	-0.361
6	H	-0.146
7	H	-0.146
8	H	-0.146
9	H	-0.146

<r²>	53.428
(<r²>)^1/2	7.309

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

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

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