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	hartrees
Energy at 0K	-154.083600
Energy at 298.15K	-154.090253
HF Energy	-154.083600
Nuclear repulsion energy	81.828422

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	3078	3078	32.95	92.80	0.32	0.49
2	A₁	2924	2924	58.23	196.80	0.03	0.06
3	A₁	1560	1560	0.33	32.80	0.75	0.86
4	A₁	1496	1496	0.51	13.94	0.67	0.80
5	A₁	1222	1222	0.05	5.71	0.72	0.83
6	A₁	855	855	18.40	9.69	0.34	0.50
7	A₁	402	402	3.72	0.80	0.09	0.16
8	A₂	2954	2954	0.00	20.79	0.75	0.86
9	A₂	1514	1514	0.00	53.38	0.75	0.86
10	A₂	1122	1122	0.00	13.90	0.75	0.86
11	A₂	249	249	0.00	0.34	0.75	0.86
12	B₁	2953	2953	182.28	95.48	0.75	0.86
13	B₁	1523	1523	13.22	0.93	0.75	0.86
14	B₁	1158	1158	1.16	4.97	0.75	0.86
15	B₁	253	253	7.78	0.04	0.75	0.86
16	B₂	3075	3075	32.10	74.93	0.75	0.86
17	B₂	2908	2908	57.86	4.18	0.75	0.86
18	B₂	1540	1540	17.11	5.59	0.75	0.86
19	B₂	1452	1452	10.59	12.49	0.75	0.86
20	B₂	1120	1120	25.87	3.18	0.75	0.86
21	B₂	1042	1042	70.31	3.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.627
C2	0.000	1.199	-0.212
C3	0.000	-1.199	-0.212
H4	0.000	2.051	0.479
H5	0.000	-2.051	0.479
H6	0.896	1.253	-0.859
H7	-0.896	1.253	-0.859
H8	-0.896	-1.253	-0.859
H9	0.896	-1.253	-0.859

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4631	1.4631	2.0558	2.0558	2.1409	2.1409	2.1409	2.1409
C2	1.4631		2.3972	1.0970	3.3218	1.1073	1.1073	2.6892	2.6892
C3	1.4631	2.3972		3.3218	1.0970	2.6892	2.6892	1.1073	1.1073
H4	2.0558	1.0970	3.3218		4.1010	1.7980	1.7980	3.6752	3.6752
H5	2.0558	3.3218	1.0970	4.1010		3.6752	3.6752	1.7980	1.7980
H6	2.1409	1.1073	2.6892	1.7980	3.6752		1.7929	3.0808	2.5053
H7	2.1409	1.1073	2.6892	1.7980	3.6752	1.7929		2.5053	3.0808
H8	2.1409	2.6892	1.1073	3.6752	1.7980	3.0808	2.5053		1.7929
H9	2.1409	2.6892	1.1073	3.6752	1.7980	2.5053	3.0808	1.7929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	105.958	O1	C2	H6	112.054
O1	C2	H7	112.054	O1	C3	H5	105.958
O1	C3	H8	112.054	O1	C3	H9	112.054
C2	O1	C3	110.015	H4	C2	H6	109.305
H4	C2	H7	109.305	H5	C3	H8	109.305
H5	C3	H9	109.305	H6	C2	H7	108.109
H8	C3	H9	108.109

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

using model chemistry: B97D3/3-21G*

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	-0.458
2	C	-0.339
3	C	-0.339
4	H	0.213
5	H	0.213
6	H	0.178
7	H	0.178
8	H	0.178
9	H	0.178

<r²>	54.218
(<r²>)^1/2	7.363

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

using model chemistry: B97D3/3-21G*

States and conformations

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