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	hartrees
Energy at 0K	-154.859024
Energy at 298.15K	-154.865683
HF Energy	-154.859024
Nuclear repulsion energy	83.554833

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	3055	3023	30.44	104.87	0.33	0.49
2	A₁	2895	2865	74.41	253.85	0.03	0.06
3	A₁	1488	1473	2.33	16.24	0.74	0.85
4	A₁	1453	1438	0.04	12.39	0.75	0.86
5	A₁	1235	1222	3.99	2.08	0.66	0.79
6	A₁	931	921	37.56	7.05	0.57	0.73
7	A₁	407	403	1.92	0.69	0.07	0.13
8	A₂	2930	2900	0.00	26.62	0.75	0.86
9	A₂	1443	1428	0.00	33.35	0.75	0.86
10	A₂	1133	1121	0.00	7.02	0.75	0.86
11	A₂	227	225	0.00	0.66	0.75	0.86
12	B₁	2924	2894	186.44	125.02	0.75	0.86
13	B₁	1453	1438	16.16	0.01	0.75	0.86
14	B₁	1164	1152	5.72	1.79	0.75	0.86
15	B₁	255	253	6.08	0.03	0.75	0.86
16	B₂	3053	3021	35.68	84.33	0.75	0.86
17	B₂	2879	2849	68.16	4.52	0.75	0.86
18	B₂	1465	1449	18.76	5.46	0.75	0.86
19	B₂	1424	1410	2.49	9.40	0.75	0.86
20	B₂	1165	1153	88.71	0.02	0.75	0.86
21	B₂	1100	1088	41.27	3.66	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.599
C2	0.000	1.169	-0.198
C3	0.000	-1.169	-0.198
H4	0.000	2.028	0.486
H5	0.000	-2.028	0.486
H6	0.898	1.226	-0.847
H7	-0.898	1.226	-0.847
H8	-0.898	-1.226	-0.847
H9	0.898	-1.226	-0.847

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4143	1.4143	2.0312	2.0312	2.0973	2.0973	2.0973	2.0973
C2	1.4143		2.3374	1.0986	3.2692	1.1097	1.1097	2.6385	2.6385
C3	1.4143	2.3374		3.2692	1.0986	2.6385	2.6385	1.1097	1.1097
H4	2.0312	1.0986	3.2692		4.0563	1.7967	1.7967	3.6294	3.6294
H5	2.0312	3.2692	1.0986	4.0563		3.6294	3.6294	1.7967	1.7967
H6	2.0973	1.1097	2.6385	1.7967	3.6294		1.7969	3.0396	2.4516
H7	2.0973	1.1097	2.6385	1.7967	3.6294	1.7969		2.4516	3.0396
H8	2.0973	2.6385	1.1097	3.6294	1.7967	3.0396	2.4516		1.7969
H9	2.0973	2.6385	1.1097	3.6294	1.7967	2.4516	3.0396	1.7969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.198	O1	C2	H6	111.825
O1	C2	H7	111.825	O1	C3	H5	107.198
O1	C3	H8	111.825	O1	C3	H9	111.825
C2	O1	C3	111.451	H4	C2	H6	108.899
H4	C2	H7	108.899	H5	C3	H8	108.899
H5	C3	H9	108.899	H6	C2	H7	108.125
H8	C3	H9	108.125

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	-0.284
2	C	-0.457
3	C	-0.457
4	H	0.219
5	H	0.219
6	H	0.190
7	H	0.190
8	H	0.190
9	H	0.190

<r²>	52.872
(<r²>)^1/2	7.271

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)