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	hartrees
Energy at 0K	-154.949186
Energy at 298.15K	-154.955915
HF Energy	-154.949186
Nuclear repulsion energy	84.221628

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	3166	3009	26.20	97.25	0.34	0.51
2	A₁	3017	2868	52.90	210.56	0.03	0.06
3	A₁	1538	1462	0.68	21.41	0.75	0.86
4	A₁	1510	1436	0.02	15.67	0.75	0.85
5	A₁	1284	1220	7.98	3.10	0.55	0.71
6	A₁	1000	950	36.16	9.62	0.43	0.60
7	A₁	430	409	2.92	0.48	0.01	0.02
8	A₂	3067	2915	0.00	11.89	0.75	0.86
9	A₂	1501	1427	0.00	41.39	0.75	0.86
10	A₂	1177	1119	0.00	6.98	0.75	0.86
11	A₂	217	207	0.00	0.19	0.75	0.86
12	B₁	3062	2910	139.02	94.30	0.75	0.86
13	B₁	1512	1437	11.57	0.52	0.75	0.86
14	B₁	1210	1150	8.00	3.64	0.75	0.86
15	B₁	265	252	6.25	0.09	0.75	0.86
16	B₂	3165	3008	31.22	74.66	0.75	0.86
17	B₂	3007	2858	47.95	0.67	0.75	0.86
18	B₂	1516	1441	13.39	2.78	0.75	0.86
19	B₂	1474	1401	7.09	9.62	0.75	0.86
20	B₂	1258	1196	135.60	0.42	0.75	0.86
21	B₂	1147	1090	11.09	4.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.592
C2	0.000	1.161	-0.195
C3	0.000	-1.161	-0.195
H4	0.000	2.018	0.479
H5	0.000	-2.018	0.479
H6	0.891	1.212	-0.839
H7	-0.891	1.212	-0.839
H8	-0.891	-1.212	-0.839
H9	0.891	-1.212	-0.839

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4028	1.4028	2.0216	2.0216	2.0764	2.0764	2.0764	2.0764
C2	1.4028		2.3217	1.0911	3.2500	1.1005	1.1005	2.6152	2.6152
C3	1.4028	2.3217		3.2500	1.0911	2.6152	2.6152	1.1005	1.1005
H4	2.0216	1.0911	3.2500		4.0368	1.7839	1.7839	3.6011	3.6011
H5	2.0216	3.2500	1.0911	4.0368		3.6011	3.6011	1.7839	1.7839
H6	2.0764	1.1005	2.6152	1.7839	3.6011		1.7823	3.0088	2.4241
H7	2.0764	1.1005	2.6152	1.7839	3.6011	1.7823		2.4241	3.0088
H8	2.0764	2.6152	1.1005	3.6011	1.7839	3.0088	2.4241		1.7823
H9	2.0764	2.6152	1.1005	3.6011	1.7839	2.4241	3.0088	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.655	O1	C2	H6	111.523
O1	C2	H7	111.523	O1	C3	H5	107.655
O1	C3	H8	111.523	O1	C3	H9	111.523
C2	O1	C3	111.693	H4	C2	H6	108.970
H4	C2	H7	108.970	H5	C3	H8	108.970
H5	C3	H9	108.970	H6	C2	H7	108.145
H8	C3	H9	108.145

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

using model chemistry: M06-2X/6-31G**

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	-0.495
2	C	-0.092
3	C	-0.092
4	H	0.135
5	H	0.135
6	H	0.102
7	H	0.102
8	H	0.102
9	H	0.102

<r²>	51.999
(<r²>)^1/2	7.211

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

using model chemistry: M06-2X/6-31G**

States and conformations

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