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	hartrees
Energy at 0K	-154.890587
Energy at 298.15K	-154.897197
HF Energy	-154.890587
Nuclear repulsion energy	83.564279

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	3050	3013	20.73	109.31	0.29	0.45
2	A₁	2899	2864	64.37	308.51	0.02	0.04
3	A₁	1463	1445	2.61	10.01	0.74	0.85
4	A₁	1432	1414	0.00	5.53	0.74	0.85
5	A₁	1222	1207	4.47	1.27	0.66	0.79
6	A₁	922	911	34.65	6.62	0.47	0.64
7	A₁	400	395	2.16	0.78	0.10	0.18
8	A₂	2939	2904	0.00	23.56	0.75	0.86
9	A₂	1425	1408	0.00	22.17	0.75	0.86
10	A₂	1120	1106	0.00	5.52	0.75	0.86
11	A₂	217	214	0.00	0.53	0.75	0.86
12	B₁	2932	2896	138.23	112.19	0.75	0.86
13	B₁	1433	1416	13.37	0.14	0.75	0.86
14	B₁	1150	1136	5.73	0.86	0.75	0.86
15	B₁	241	239	5.10	0.04	0.75	0.86
16	B₂	3049	3012	28.61	73.85	0.75	0.86
17	B₂	2887	2852	60.40	2.99	0.75	0.86
18	B₂	1443	1425	12.87	3.34	0.75	0.86
19	B₂	1405	1388	1.93	3.53	0.75	0.86
20	B₂	1152	1138	97.43	0.12	0.75	0.86
21	B₂	1088	1075	32.21	3.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.597
C2	0.000	1.171	-0.198
C3	0.000	-1.171	-0.198
H4	0.000	2.030	0.485
H5	0.000	-2.030	0.485
H6	0.897	1.225	-0.844
H7	-0.897	1.225	-0.844
H8	-0.897	-1.225	-0.844
H9	0.897	-1.225	-0.844

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4152	1.4152	2.0330	2.0330	2.0934	2.0934	2.0934	2.0934
C2	1.4152		2.3418	1.0970	3.2727	1.1071	1.1071	2.6385	2.6385
C3	1.4152	2.3418		3.2727	1.0970	2.6385	2.6385	1.1071	1.1071
H4	2.0330	1.0970	3.2727		4.0598	1.7942	1.7942	3.6281	3.6281
H5	2.0330	3.2727	1.0970	4.0598		3.6281	3.6281	1.7942	1.7942
H6	2.0934	1.1071	2.6385	1.7942	3.6281		1.7939	3.0361	2.4494
H7	2.0934	1.1071	2.6385	1.7942	3.6281	1.7939		2.4494	3.0361
H8	2.0934	2.6385	1.1071	3.6281	1.7942	3.0361	2.4494		1.7939
H9	2.0934	2.6385	1.1071	3.6281	1.7942	2.4494	3.0361	1.7939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.369	O1	C2	H6	111.610
O1	C2	H7	111.610	O1	C3	H5	107.369
O1	C3	H8	111.610	O1	C3	H9	111.610
C2	O1	C3	111.663	H4	C2	H6	108.983
H4	C2	H7	108.983	H5	C3	H8	108.983
H5	C3	H9	108.983	H6	C2	H7	108.228
H8	C3	H9	108.228

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

using model chemistry: PBEPBE/Def2TZVPP

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	-0.266
2	C	-0.127
3	C	-0.127
4	H	0.108
5	H	0.108
6	H	0.076
7	H	0.076
8	H	0.076
9	H	0.076

<r²>	52.972
(<r²>)^1/2	7.278

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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