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	hartrees
Energy at 0K	-154.867006
Energy at 298.15K	-154.873643
HF Energy	-154.867006
Nuclear repulsion energy	83.475254

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	3051	3023	25.94	110.79	0.31	0.47
2	A₁	2892	2865	70.00	273.15	0.03	0.05
3	A₁	1469	1455	2.19	14.22	0.74	0.85
4	A₁	1437	1424	0.06	11.73	0.75	0.86
5	A₁	1224	1213	4.02	1.75	0.65	0.78
6	A₁	925	917	36.34	6.80	0.57	0.73
7	A₁	401	398	1.95	0.72	0.07	0.14
8	A₂	2928	2901	0.00	26.44	0.75	0.86
9	A₂	1423	1410	0.00	31.72	0.75	0.86
10	A₂	1120	1110	0.00	5.95	0.75	0.86
11	A₂	224	222	0.00	0.59	0.75	0.86
12	B₁	2921	2895	170.02	123.75	0.75	0.86
13	B₁	1431	1418	14.62	0.00	0.75	0.86
14	B₁	1152	1141	5.69	1.54	0.75	0.86
15	B₁	248	246	5.67	0.03	0.75	0.86
16	B₂	3050	3022	31.44	83.65	0.75	0.86
17	B₂	2877	2851	64.87	4.87	0.75	0.86
18	B₂	1444	1431	16.91	4.92	0.75	0.86
19	B₂	1409	1396	3.23	8.45	0.75	0.86
20	B₂	1154	1143	95.04	0.00	0.75	0.86
21	B₂	1091	1081	33.10	3.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.599
C2	0.000	1.170	-0.198
C3	0.000	-1.170	-0.198
H4	0.000	2.030	0.486
H5	0.000	-2.030	0.486
H6	0.899	1.228	-0.847
H7	-0.899	1.228	-0.847
H8	-0.899	-1.228	-0.847
H9	0.899	-1.228	-0.847

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4161	1.4161	2.0335	2.0335	2.0992	2.0992	2.0992	2.0992
C2	1.4161		2.3404	1.0987	3.2727	1.1098	1.1098	2.6418	2.6418
C3	1.4161	2.3404		3.2727	1.0987	2.6418	2.6418	1.1098	1.1098
H4	2.0335	1.0987	3.2727		4.0607	1.7963	1.7963	3.6330	3.6330
H5	2.0335	3.2727	1.0987	4.0607		3.6330	3.6330	1.7963	1.7963
H6	2.0992	1.1098	2.6418	1.7963	3.6330		1.7971	3.0430	2.4557
H7	2.0992	1.1098	2.6418	1.7963	3.6330	1.7971		2.4557	3.0430
H8	2.0992	2.6418	1.1098	3.6330	1.7963	3.0430	2.4557		1.7971
H9	2.0992	2.6418	1.1098	3.6330	1.7963	2.4557	3.0430	1.7971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.252	O1	C2	H6	111.847
O1	C2	H7	111.847	O1	C3	H5	107.252
O1	C3	H8	111.847	O1	C3	H9	111.847
C2	O1	C3	111.459	H4	C2	H6	108.850
H4	C2	H7	108.850	H5	C3	H8	108.850
H5	C3	H9	108.850	H6	C2	H7	108.122
H8	C3	H9	108.122

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

using model chemistry: PBEPBE/6-311G**

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	-0.313
2	C	-0.166
3	C	-0.166
4	H	0.126
5	H	0.126
6	H	0.099
7	H	0.099
8	H	0.099
9	H	0.099

<r²>	52.935
(<r²>)^1/2	7.276

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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