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	hartrees
Energy at 0K	-152.976304
Energy at 298.15K	-152.982891
HF Energy	-152.976304
Nuclear repulsion energy	82.276807

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	3476	3070	3.03	35.36	0.59	0.74
2	A₁	3264	2882	8.77	80.09	0.01	0.02
3	A₁	1686	1489	1.46	26.36	0.75	0.86
4	A₁	1617	1428	0.49	6.17	0.74	0.85
5	A₁	1338	1181	0.01	3.43	0.61	0.76
6	A₁	1004	887	3.93	8.07	0.31	0.48
7	A₁	450	398	1.04	0.58	0.13	0.24
8	A₂	3409	3010	0.00	7.75	0.75	0.86
9	A₂	1655	1461	0.00	32.08	0.75	0.86
10	A₂	1188	1049	0.00	5.13	0.75	0.86
11	A₂	238	210	0.00	0.04	0.75	0.86
12	B₁	3404	3006	25.23	41.80	0.75	0.86
13	B₁	1653	1459	9.16	2.53	0.75	0.86
14	B₁	1203	1062	3.66	2.77	0.75	0.86
15	B₁	261	230	3.26	0.01	0.75	0.86
16	B₂	3474	3068	0.00	31.74	0.75	0.86
17	B₂	3262	2881	18.60	0.02	0.75	0.86
18	B₂	1680	1483	9.14	0.44	0.75	0.86
19	B₂	1579	1394	13.06	6.90	0.75	0.86
20	B₂	1258	1110	23.24	1.56	0.75	0.86
21	B₂	1172	1035	0.06	2.76	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.650
C2	0.000	1.170	-0.217
C3	0.000	-1.170	-0.217
H4	0.000	2.056	0.439
H5	0.000	-2.056	0.439
H6	0.896	1.213	-0.869
H7	-0.896	1.213	-0.869
H8	-0.896	-1.213	-0.869
H9	0.896	-1.213	-0.869

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4563	1.4563	2.0669	2.0669	2.1403	2.1403	2.1403	2.1403
C2	1.4563		2.3395	1.1029	3.2920	1.1088	1.1088	2.6275	2.6275
C3	1.4563	2.3395		3.2920	1.1029	2.6275	2.6275	1.1088	1.1088
H4	2.0669	1.1029	3.2920		4.1122	1.7959	1.7959	3.6330	3.6330
H5	2.0669	3.2920	1.1029	4.1122		3.6330	3.6330	1.7959	1.7959
H6	2.1403	1.1088	2.6275	1.7959	3.6330		1.7923	3.0158	2.4254
H7	2.1403	1.1088	2.6275	1.7959	3.6330	1.7923		2.4254	3.0158
H8	2.1403	2.6275	1.1088	3.6330	1.7959	3.0158	2.4254		1.7923
H9	2.1403	2.6275	1.1088	3.6330	1.7959	2.4254	3.0158	1.7923

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.919	O1	C2	H6	112.403
O1	C2	H7	112.403	O1	C3	H5	106.919
O1	C3	H8	112.403	O1	C3	H9	112.403
C2	O1	C3	106.884	H4	C2	H6	108.579
H4	C2	H7	108.579	H5	C3	H8	108.579
H5	C3	H9	108.579	H6	C2	H7	107.840
H8	C3	H9	107.840

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

using model chemistry: B1B95/STO-3G

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	-0.191
2	C	-0.133
3	C	-0.133
4	H	0.086
5	H	0.086
6	H	0.072
7	H	0.072
8	H	0.072
9	H	0.072

<r²>	52.618
(<r²>)^1/2	7.254

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

using model chemistry: B1B95/STO-3G

States and conformations

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