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	hartrees
Energy at 0K	-154.820419
Energy at 298.15K	-154.827105
HF Energy	-154.129126
Nuclear repulsion energy	84.404512

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3147	2992	17.40
2	A₁	3026	2878	59.46
3	A₁	1547	1471	3.19
4	A₁	1517	1443	0.00
5	A₁	1298	1234	7.63
6	A₁	979	931	34.56
7	A₁	425	404	2.47
8	A₂	3057	2907	0.00
9	A₂	1521	1447	0.00
10	A₂	1190	1132	0.00
11	A₂	190	181	0.00
12	B₁	3052	2903	108.73
13	B₁	1533	1458	13.11
14	B₁	1225	1165	7.83
15	B₁	252	240	5.29
16	B₂	3143	2989	31.81
17	B₂	3017	2869	45.57
18	B₂	1530	1455	10.29
19	B₂	1482	1410	3.47
20	B₂	1241	1180	114.65
21	B₂	1148	1092	26.73

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.589
C2	0.000	1.159	-0.195
C3	0.000	-1.159	-0.195
H4	0.000	2.012	0.478
H5	0.000	-2.012	0.478
H6	0.887	1.209	-0.833
H7	-0.887	1.209	-0.833
H8	-0.887	-1.209	-0.833
H9	0.887	-1.209	-0.833

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.3989	1.3989	2.0146	2.0146	2.0668	2.0668	2.0668	2.0668
C2	1.3989		2.3176	1.0859	3.2409	1.0944	1.0944	2.6081	2.6081
C3	1.3989	2.3176		3.2409	1.0859	2.6081	2.6081	1.0944	1.0944
H4	2.0146	1.0859	3.2409		4.0231	1.7747	1.7747	3.5886	3.5886
H5	2.0146	3.2409	1.0859	4.0231		3.5886	3.5886	1.7747	1.7747
H6	2.0668	1.0944	2.6081	1.7747	3.5886		1.7749	2.9997	2.4182
H7	2.0668	1.0944	2.6081	1.7747	3.5886	1.7749		2.4182	2.9997
H8	2.0668	2.6081	1.0944	3.5886	1.7747	2.9997	2.4182		1.7749
H9	2.0668	2.6081	1.0944	3.5886	1.7747	2.4182	2.9997	1.7749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.680	O1	C2	H6	111.398
O1	C2	H7	111.398	O1	C3	H5	107.680
O1	C3	H8	111.398	O1	C3	H9	111.398
C2	O1	C3	111.869	H4	C2	H6	108.972
H4	C2	H7	108.972	H5	C3	H8	108.972
H5	C3	H9	108.972	H6	C2	H7	108.369
H8	C3	H9	108.369

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

using model chemistry: CCSD=FULL/aug-cc-pVTZ

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

using model chemistry: CCSD=FULL/aug-cc-pVTZ

States and conformations

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