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	hartrees
Energy at 0K	-154.915189
Energy at 298.15K	-154.921860
HF Energy	-154.915189
Nuclear repulsion energy	84.292105

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	3131	3012	19.14	102.64	0.29	0.45
2	A₁	2987	2873	62.98	335.51	0.02	0.03
3	A₁	1508	1450	4.60	4.74	0.72	0.84
4	A₁	1482	1426	0.06	3.09	0.72	0.84
5	A₁	1269	1220	6.80	0.41	0.75	0.86
6	A₁	970	933	36.62	7.37	0.33	0.50
7	A₁	412	396	2.44	1.09	0.13	0.23
8	A₂	3032	2916	0.00	19.65	0.75	0.86
9	A₂	1477	1421	0.00	11.58	0.75	0.86
10	A₂	1163	1119	0.00	1.49	0.75	0.86
11	A₂	210	202	0.00	0.19	0.75	0.86
12	B₁	3026	2910	121.91	104.09	0.75	0.86
13	B₁	1486	1429	15.95	0.08	0.75	0.86
14	B₁	1192	1147	6.73	0.00	0.75	0.86
15	B₁	245	235	5.07	0.00	0.75	0.86
16	B₂	3130	3010	28.16	65.87	0.75	0.86
17	B₂	2976	2863	58.51	2.12	0.75	0.86
18	B₂	1490	1433	13.24	1.51	0.75	0.86
19	B₂	1453	1397	1.05	1.39	0.75	0.86
20	B₂	1219	1172	124.04	0.80	0.75	0.86
21	B₂	1131	1088	22.58	1.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.588
C2	0.000	1.163	-0.194
C3	0.000	-1.163	-0.194
H4	0.000	2.016	0.483
H5	0.000	-2.016	0.483
H6	0.890	1.216	-0.835
H7	-0.890	1.216	-0.835
H8	-0.890	-1.216	-0.835
H9	0.890	-1.216	-0.835

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4012	1.4012	2.0191	2.0191	2.0727	2.0727	2.0727	2.0727
C2	1.4012		2.3259	1.0892	3.2505	1.0983	1.0983	2.6201	2.6201
C3	1.4012	2.3259		3.2505	1.0892	2.6201	2.6201	1.0983	1.0983
H4	2.0191	1.0892	3.2505		4.0327	1.7801	1.7801	3.6028	3.6028
H5	2.0191	3.2505	1.0892	4.0327		3.6028	3.6028	1.7801	1.7801
H6	2.0727	1.0983	2.6201	1.7801	3.6028		1.7805	3.0149	2.4330
H7	2.0727	1.0983	2.6201	1.7801	3.6028	1.7805		2.4330	3.0149
H8	2.0727	2.6201	1.0983	3.6028	1.7801	3.0149	2.4330		1.7805
H9	2.0727	2.6201	1.0983	3.6028	1.7801	2.4330	3.0149	1.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.679	O1	C2	H6	111.469
O1	C2	H7	111.469	O1	C3	H5	107.679
O1	C3	H8	111.469	O1	C3	H9	111.469
C2	O1	C3	112.189	H4	C2	H6	108.931
H4	C2	H7	108.931	H5	C3	H8	108.931
H5	C3	H9	108.931	H6	C2	H7	108.306
H8	C3	H9	108.306

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

using model chemistry: HSEh1PBE/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	-0.412
2	C	-0.559
3	C	-0.559
4	H	0.265
5	H	0.265
6	H	0.250
7	H	0.250
8	H	0.250
9	H	0.250

<r²>	52.235
(<r²>)^1/2	7.227

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

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

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