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	hartrees
Energy at 0K	-154.887463
Energy at 298.15K	-154.894064
HF Energy	-154.887463
Nuclear repulsion energy	83.496448

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	3046	3012	18.39	112.04	0.28	0.44
2	A₁	2898	2865	67.77	359.77	0.02	0.03
3	A₁	1458	1441	3.74	5.16	0.73	0.84
4	A₁	1427	1411	0.01	3.37	0.72	0.84
5	A₁	1219	1206	5.48	0.46	0.56	0.72
6	A₁	917	907	35.18	6.90	0.37	0.54
7	A₁	398	393	2.18	1.52	0.16	0.27
8	A₂	2938	2905	0.00	28.20	0.75	0.86
9	A₂	1426	1410	0.00	12.95	0.75	0.86
10	A₂	1119	1106	0.00	1.84	0.75	0.86
11	A₂	211	208	0.00	0.31	0.75	0.86
12	B₁	2930	2897	131.96	122.79	0.75	0.86
13	B₁	1433	1417	14.36	0.09	0.75	0.86
14	B₁	1145	1132	6.13	0.05	0.75	0.86
15	B₁	238	235	4.73	0.00	0.75	0.86
16	B₂	3045	3011	26.92	71.36	0.75	0.86
17	B₂	2887	2854	63.67	4.30	0.75	0.86
18	B₂	1441	1424	12.73	1.93	0.75	0.86
19	B₂	1401	1385	1.26	1.93	0.75	0.86
20	B₂	1148	1135	95.05	0.33	0.75	0.86
21	B₂	1084	1072	36.14	1.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.598
C2	0.000	1.173	-0.198
C3	0.000	-1.173	-0.198
H4	0.000	2.031	0.485
H5	0.000	-2.031	0.485
H6	0.897	1.225	-0.844
H7	-0.897	1.225	-0.844
H8	-0.897	-1.225	-0.844
H9	0.897	-1.225	-0.844

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4172	1.4172	2.0339	2.0339	2.0935	2.0935	2.0935	2.0935
C2	1.4172		2.3456	1.0969	3.2757	1.1068	1.1068	2.6403	2.6403
C3	1.4172	2.3456		3.2757	1.0969	2.6403	2.6403	1.1068	1.1068
H4	2.0339	1.0969	3.2757		4.0617	1.7948	1.7948	3.6293	3.6293
H5	2.0339	3.2757	1.0969	4.0617		3.6293	3.6293	1.7948	1.7948
H6	2.0935	1.1068	2.6403	1.7948	3.6293		1.7947	3.0368	2.4498
H7	2.0935	1.1068	2.6403	1.7948	3.6293	1.7947		2.4498	3.0368
H8	2.0935	2.6403	1.1068	3.6293	1.7948	3.0368	2.4498		1.7947
H9	2.0935	2.6403	1.1068	3.6293	1.7948	2.4498	3.0368	1.7947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.319	O1	C2	H6	111.500
O1	C2	H7	111.500	O1	C3	H5	107.319
O1	C3	H8	111.500	O1	C3	H9	111.500
C2	O1	C3	111.702	H4	C2	H6	109.066
H4	C2	H7	109.066	H5	C3	H8	109.066
H5	C3	H9	109.066	H6	C2	H7	108.340
H8	C3	H9	108.340

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

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	-0.374
2	C	-0.514
3	C	-0.514
4	H	0.248
5	H	0.248
6	H	0.226
7	H	0.226
8	H	0.226
9	H	0.226

<r²>	53.127
(<r²>)^1/2	7.289

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

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