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	hartrees
Energy at 0K	-154.912223
Energy at 298.15K	-154.918902
HF Energy	-154.912223
Nuclear repulsion energy	84.339072

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	3129	3007	22.97	103.34	0.30	0.47
2	A₁	2984	2868	61.05	285.96	0.02	0.04
3	A₁	1513	1454	3.29	9.12	0.74	0.85
4	A₁	1486	1428	0.02	6.04	0.74	0.85
5	A₁	1271	1222	6.41	1.03	0.54	0.70
6	A₁	974	936	35.89	6.95	0.48	0.64
7	A₁	413	397	2.44	0.60	0.05	0.10
8	A₂	3028	2910	0.00	19.61	0.75	0.86
9	A₂	1476	1419	0.00	19.52	0.75	0.86
10	A₂	1165	1120	0.00	2.98	0.75	0.86
11	A₂	212	203	0.00	0.25	0.75	0.86
12	B₁	3022	2904	135.70	105.70	0.75	0.86
13	B₁	1485	1427	14.29	0.01	0.75	0.86
14	B₁	1196	1150	7.07	0.72	0.75	0.86
15	B₁	246	237	5.28	0.01	0.75	0.86
16	B₂	3128	3006	30.01	72.68	0.75	0.86
17	B₂	2973	2857	56.14	1.67	0.75	0.86
18	B₂	1493	1435	13.98	2.99	0.75	0.86
19	B₂	1454	1398	2.09	3.08	0.75	0.86
20	B₂	1222	1175	125.46	0.54	0.75	0.86
21	B₂	1134	1090	20.32	2.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.588
C2	0.000	1.161	-0.194
C3	0.000	-1.161	-0.194
H4	0.000	2.016	0.481
H5	0.000	-2.016	0.481
H6	0.890	1.217	-0.836
H7	-0.890	1.217	-0.836
H8	-0.890	-1.217	-0.836
H9	0.890	-1.217	-0.836

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.3997	1.3997	2.0189	2.0189	2.0736	2.0736	2.0736	2.0736
C2	1.3997		2.3221	1.0894	3.2481	1.0988	1.0988	2.6187	2.6187
C3	1.3997	2.3221		3.2481	1.0894	2.6187	2.6187	1.0988	1.0988
H4	2.0189	1.0894	3.2481		4.0322	1.7795	1.7795	3.6025	3.6025
H5	2.0189	3.2481	1.0894	4.0322		3.6025	3.6025	1.7795	1.7795
H6	2.0736	1.0988	2.6187	1.7795	3.6025		1.7794	3.0144	2.4332
H7	2.0736	1.0988	2.6187	1.7795	3.6025	1.7794		2.4332	3.0144
H8	2.0736	2.6187	1.0988	3.6025	1.7795	3.0144	2.4332		1.7794
H9	2.0736	2.6187	1.0988	3.6025	1.7795	2.4332	3.0144	1.7794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.755	O1	C2	H6	111.623
O1	C2	H7	111.623	O1	C3	H5	107.755
O1	C3	H8	111.623	O1	C3	H9	111.623
C2	O1	C3	112.093	H4	C2	H6	108.821
H4	C2	H7	108.821	H5	C3	H8	108.821
H5	C3	H9	108.821	H6	C2	H7	108.132
H8	C3	H9	108.132

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

using model chemistry: HSEh1PBE/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	-0.259
2	C	-0.083
3	C	-0.083
4	H	0.103
5	H	0.103
6	H	0.055
7	H	0.055
8	H	0.055
9	H	0.055

<r²>	52.091
(<r²>)^1/2	7.217

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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