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	hartrees
Energy at 0K	-30.766001
Energy at 298.15K	-30.772575
Nuclear repulsion energy	49.340287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3185	3049	51.07
2	A₁	3014	2886	91.60
3	A₁	1518	1453	4.16
4	A₁	1481	1418	0.01
5	A₁	1239	1186	0.01
6	A₁	911	872	28.08
7	A₁	379	362	4.18
8	A₂	3085	2954	0.00
9	A₂	1484	1421	0.00
10	A₂	1140	1092	0.00
11	A₂	211	202	0.00
12	B₁	3081	2950	212.83
13	B₁	1493	1430	21.72
14	B₁	1166	1117	2.17
15	B₁	229	220	10.16
16	B₂	3180	3045	38.36
17	B₂	3005	2877	81.28
18	B₂	1497	1433	16.97
19	B₂	1463	1401	0.01
20	B₂	1191	1140	81.67
21	B₂	1106	1059	17.60

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.599
C2	0.000	1.202	-0.201
C3	0.000	-1.202	-0.201
H4	0.000	2.049	0.498
H5	0.000	-2.049	0.498
H6	0.900	1.261	-0.844
H7	-0.900	1.261	-0.844
H8	-0.900	-1.261	-0.844
H9	0.900	-1.261	-0.844

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4441	1.4441	2.0514	2.0514	2.1172	2.1172	2.1172	2.1172
C2	1.4441		2.4049	1.0975	3.3256	1.1082	1.1082	2.7002	2.7002
C3	1.4441	2.4049		3.3256	1.0975	2.7002	2.7002	1.1082	1.1082
H4	2.0514	1.0975	3.3256		4.0978	1.7982	1.7982	3.6831	3.6831
H5	2.0514	3.3256	1.0975	4.0978		3.6831	3.6831	1.7982	1.7982
H6	2.1172	1.1082	2.7002	1.7982	3.6831		1.8004	3.0980	2.5212
H7	2.1172	1.1082	2.7002	1.7982	3.6831	1.8004		2.5212	3.0980
H8	2.1172	2.7002	1.1082	3.6831	1.7982	3.0980	2.5212		1.8004
H9	2.1172	2.7002	1.1082	3.6831	1.7982	2.5212	3.0980	1.8004

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.839	O1	C2	H6	111.428
O1	C2	H7	111.428	O1	C3	H5	106.839
O1	C3	H8	111.428	O1	C3	H9	111.428
C2	O1	C3	112.750	H4	C2	H6	109.225
H4	C2	H7	109.225	H5	C3	H8	109.225
H5	C3	H9	109.225	H6	C2	H7	108.647
H8	C3	H9	108.647

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

using model chemistry: B1B95/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	-0.249
2	C	-0.375
3	C	-0.375
4	H	0.210
5	H	0.210
6	H	0.145
7	H	0.145
8	H	0.145
9	H	0.145

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G

States and conformations

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