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	hartrees
Energy at 0K	-30.872202
Energy at 298.15K	-30.878898
HF Energy	-30.872202
Nuclear repulsion energy	49.982893

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	3157	3157	52.14	101.30	0.33	0.49
2	A₁	3013	3013	101.32	263.68	0.04	0.07
3	A₁	1529	1529	0.99	13.73	0.74	0.85
4	A₁	1506	1506	0.95	19.80	0.69	0.82
5	A₁	1275	1275	3.69	4.90	0.57	0.73
6	A₁	974	974	41.34	14.23	0.34	0.51
7	A₁	424	424	2.79	0.23	0.32	0.49
8	A₂	3059	3059	0.00	12.64	0.75	0.86
9	A₂	1494	1494	0.00	36.29	0.75	0.86
10	A₂	1173	1173	0.00	14.42	0.75	0.86
11	A₂	214	214	0.00	0.69	0.75	0.86
12	B₁	3053	3053	216.86	104.59	0.75	0.86
13	B₁	1507	1507	14.08	0.51	0.75	0.86
14	B₁	1203	1203	4.00	3.55	0.75	0.86
15	B₁	265	265	7.00	0.00	0.75	0.86
16	B₂	3153	3153	60.08	80.65	0.75	0.86
17	B₂	3002	3002	79.00	0.35	0.75	0.86
18	B₂	1505	1505	14.96	1.96	0.75	0.86
19	B₂	1476	1476	6.75	8.42	0.75	0.86
20	B₂	1231	1231	131.97	1.22	0.75	0.86
21	B₂	1136	1136	21.31	5.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.599
C2	0.000	1.171	-0.198
C3	0.000	-1.171	-0.198
H4	0.000	2.033	0.483
H5	0.000	-2.033	0.483
H6	0.899	1.222	-0.845
H7	-0.899	1.222	-0.845
H8	-0.899	-1.222	-0.845
H9	0.899	-1.222	-0.845

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4166	1.4166	2.0365	2.0365	2.0945	2.0945	2.0945	2.0945
C2	1.4166		2.3419	1.0986	3.2756	1.1088	1.1088	2.6367	2.6367
C3	1.4166	2.3419		3.2756	1.0986	2.6367	2.6367	1.1088	1.1088
H4	2.0365	1.0986	3.2756		4.0663	1.7971	1.7971	3.6285	3.6285
H5	2.0365	3.2756	1.0986	4.0663		3.6285	3.6285	1.7971	1.7971
H6	2.0945	1.1088	2.6367	1.7971	3.6285		1.7982	3.0340	2.4437
H7	2.0945	1.1088	2.6367	1.7971	3.6285	1.7982		2.4437	3.0340
H8	2.0945	2.6367	1.1088	3.6285	1.7971	3.0340	2.4437		1.7982
H9	2.0945	2.6367	1.1088	3.6285	1.7971	2.4437	3.0340	1.7982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.455	O1	C2	H6	111.487
O1	C2	H7	111.487	O1	C3	H5	107.455
O1	C3	H8	111.487	O1	C3	H9	111.487
C2	O1	C3	111.503	H4	C2	H6	108.999
H4	C2	H7	108.999	H5	C3	H8	108.999
H5	C3	H9	108.999	H6	C2	H7	108.360
H8	C3	H9	108.360

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

using model chemistry: wB97X-D/CEP-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	-0.204
2	C	-0.381
3	C	-0.381
4	H	0.207
5	H	0.207
6	H	0.138
7	H	0.138
8	H	0.138
9	H	0.138

<r²>	46.087
(<r²>)^1/2	6.789

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

using model chemistry: wB97X-D/CEP-31G*

States and conformations

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