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	hartrees
Energy at 0K	-155.029430
Energy at 298.15K	-155.036105
HF Energy	-155.029430
Nuclear repulsion energy	83.672466

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	3115	3021	25.31	110.93	0.32	0.48
2	A₁	2961	2872	61.96	256.09	0.03	0.06
3	A₁	1494	1450	0.72	12.33	0.73	0.84
4	A₁	1467	1423	0.55	16.66	0.75	0.85
5	A₁	1257	1219	7.00	1.30	0.54	0.70
6	A₁	955	926	35.51	7.63	0.49	0.66
7	A₁	413	400	2.40	0.58	0.04	0.08
8	A₂	3001	2911	0.00	21.27	0.75	0.86
9	A₂	1449	1406	0.00	34.00	0.75	0.86
10	A₂	1147	1112	0.00	4.36	0.75	0.86
11	A₂	218	211	0.00	0.28	0.75	0.86
12	B₁	2996	2906	161.81	118.48	0.75	0.86
13	B₁	1457	1413	10.53	0.19	0.75	0.86
14	B₁	1180	1144	7.81	1.92	0.75	0.86
15	B₁	253	245	5.44	0.05	0.75	0.86
16	B₂	3113	3020	33.52	87.32	0.75	0.86
17	B₂	2945	2857	60.47	2.63	0.75	0.86
18	B₂	1468	1424	15.94	4.25	0.75	0.86
19	B₂	1439	1395	9.66	6.71	0.75	0.86
20	B₂	1202	1166	122.67	0.20	0.75	0.86
21	B₂	1120	1087	24.30	3.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.590
C2	0.000	1.170	-0.194
C3	0.000	-1.170	-0.194
H4	0.000	2.029	0.493
H5	0.000	-2.029	0.493
H6	0.897	1.233	-0.845
H7	-0.897	1.233	-0.845
H8	-0.897	-1.233	-0.845
H9	0.897	-1.233	-0.845

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4086	1.4086	2.0311	2.0311	2.0943	2.0943	2.0943	2.0943
C2	1.4086		2.3395	1.0999	3.2714	1.1102	1.1102	2.6462	2.6462
C3	1.4086	2.3395		3.2714	1.0999	2.6462	2.6462	1.1102	1.1102
H4	2.0311	1.0999	3.2714		4.0575	1.7965	1.7965	3.6379	3.6379
H5	2.0311	3.2714	1.0999	4.0575		3.6379	3.6379	1.7965	1.7965
H6	2.0943	1.1102	2.6462	1.7965	3.6379		1.7948	3.0502	2.4663
H7	2.0943	1.1102	2.6462	1.7965	3.6379	1.7948		2.4663	3.0502
H8	2.0943	2.6462	1.1102	3.6379	1.7965	3.0502	2.4663		1.7948
H9	2.0943	2.6462	1.1102	3.6379	1.7965	2.4663	3.0502	1.7948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.492	O1	C2	H6	111.954
O1	C2	H7	111.954	O1	C3	H5	107.492
O1	C3	H8	111.954	O1	C3	H9	111.954
C2	O1	C3	112.290	H4	C2	H6	108.749
H4	C2	H7	108.749	H5	C3	H8	108.749
H5	C3	H9	108.749	H6	C2	H7	107.862
H8	C3	H9	107.862

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

using model chemistry: B3LYPultrafine/cc-pVDZ

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	-0.311
2	C	0.120
3	C	0.120
4	H	0.027
5	H	0.027
6	H	0.004
7	H	0.004
8	H	0.004
9	H	0.004

<r²>	52.719
(<r²>)^1/2	7.261

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

using model chemistry: B3LYPultrafine/cc-pVDZ

States and conformations

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