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	hartrees
Energy at 0K	-30.820830
Energy at 298.15K	-30.827384
HF Energy	-30.820830
Nuclear repulsion energy	48.987990

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	3155	3056	57.59	93.11	0.37	0.54
2	A₁	2989	2895	96.32	285.20	0.03	0.06
3	A₁	1516	1468	2.94	22.56	0.75	0.86
4	A₁	1482	1435	0.00	13.70	0.68	0.81
5	A₁	1234	1195	0.11	7.81	0.58	0.73
6	A₁	871	844	26.53	22.99	0.27	0.43
7	A₁	384	372	4.41	0.35	0.32	0.48
8	A₂	3054	2957	0.00	14.19	0.75	0.86
9	A₂	1484	1437	0.00	42.13	0.75	0.86
10	A₂	1130	1094	0.00	20.60	0.75	0.86
11	A₂	207	200	0.00	0.69	0.75	0.86
12	B₁	3054	2957	229.92	108.52	0.75	0.86
13	B₁	1495	1448	18.63	0.88	0.75	0.86
14	B₁	1156	1120	1.88	4.85	0.75	0.86
15	B₁	230	223	10.07	0.03	0.75	0.86
16	B₂	3150	3051	43.67	84.65	0.75	0.86
17	B₂	2978	2884	84.56	0.69	0.75	0.86
18	B₂	1497	1450	16.31	4.16	0.75	0.86
19	B₂	1459	1413	1.34	8.45	0.75	0.86
20	B₂	1155	1119	56.87	0.00	0.75	0.86
21	B₂	1079	1045	46.18	10.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.604
C2	0.000	1.216	-0.204
C3	0.000	-1.216	-0.204
H4	0.000	2.058	0.502
H5	0.000	-2.058	0.502
H6	0.903	1.273	-0.846
H7	-0.903	1.273	-0.846
H8	-0.903	-1.273	-0.846
H9	0.903	-1.273	-0.846

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4600	1.4600	2.0607	2.0607	2.1304	2.1304	2.1304	2.1304
C2	1.4600		2.4326	1.0990	3.3499	1.1097	1.1097	2.7251	2.7251
C3	1.4600	2.4326		3.3499	1.0990	2.7251	2.7251	1.1097	1.1097
H4	2.0607	1.0990	3.3499		4.1165	1.8030	1.8030	3.7058	3.7058
H5	2.0607	3.3499	1.0990	4.1165		3.7058	3.7058	1.8030	1.8030
H6	2.1304	1.1097	2.7251	1.8030	3.7058		1.8064	3.1221	2.5464
H7	2.1304	1.1097	2.7251	1.8030	3.7058	1.8064		2.5464	3.1221
H8	2.1304	2.7251	1.1097	3.7058	1.8030	3.1221	2.5464		1.8064
H9	2.1304	2.7251	1.1097	3.7058	1.8030	2.5464	3.1221	1.8064

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.423	O1	C2	H6	111.275
O1	C2	H7	111.275	O1	C3	H5	106.423
O1	C3	H8	111.275	O1	C3	H9	111.275
C2	O1	C3	112.836	H4	C2	H6	109.432
H4	C2	H7	109.432	H5	C3	H8	109.432
H5	C3	H9	109.432	H6	C2	H7	108.957
H8	C3	H9	108.957

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

using model chemistry: B3LYP/CEP-31G

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	-0.261
2	C	-0.379
3	C	-0.379
4	H	0.213
5	H	0.213
6	H	0.148
7	H	0.148
8	H	0.148
9	H	0.148

<r²>	47.891
(<r²>)^1/2	6.920

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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