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	hartrees
Energy at 0K	-155.008549
Energy at 298.15K	-155.015171
HF Energy	-155.008549
Nuclear repulsion energy	83.604986

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	3059	3059	24.95	112.35	0.28	0.44
2	A₁	2911	2911	77.00	354.61	0.02	0.03
3	A₁	1483	1483	2.59	4.54	0.72	0.84
4	A₁	1457	1457	0.02	3.72	0.74	0.85
5	A₁	1240	1240	5.97	0.47	0.62	0.76
6	A₁	908	908	36.13	7.36	0.35	0.52
7	A₁	408	408	2.25	1.51	0.16	0.28
8	A₂	2948	2948	0.00	27.62	0.75	0.86
9	A₂	1451	1451	0.00	12.62	0.75	0.86
10	A₂	1139	1139	0.00	1.92	0.75	0.86
11	A₂	208	208	0.00	0.28	0.75	0.86
12	B₁	2942	2942	153.93	122.75	0.75	0.86
13	B₁	1461	1461	11.75	0.11	0.75	0.86
14	B₁	1167	1167	7.02	0.03	0.75	0.86
15	B₁	245	245	5.03	0.00	0.75	0.86
16	B₂	3057	3057	35.48	72.77	0.75	0.86
17	B₂	2898	2898	69.95	4.43	0.75	0.86
18	B₂	1467	1467	11.17	1.97	0.75	0.86
19	B₂	1430	1430	3.09	1.78	0.75	0.86
20	B₂	1154	1154	70.82	0.08	0.75	0.86
21	B₂	1087	1087	75.41	1.75	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.594
C2	0.000	1.175	-0.197
C3	0.000	-1.175	-0.197
H4	0.000	2.027	0.487
H5	0.000	-2.027	0.487
H6	0.894	1.228	-0.840
H7	-0.894	1.228	-0.840
H8	-0.894	-1.228	-0.840
H9	0.894	-1.228	-0.840

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4163	1.4163	2.0296	2.0296	2.0885	2.0885	2.0885	2.0885
C2	1.4163		2.3501	1.0923	3.2741	1.1022	1.1022	2.6435	2.6435
C3	1.4163	2.3501		3.2741	1.0923	2.6435	2.6435	1.1022	1.1022
H4	2.0296	1.0923	3.2741		4.0536	1.7879	1.7879	3.6269	3.6269
H5	2.0296	3.2741	1.0923	4.0536		3.6269	3.6269	1.7879	1.7879
H6	2.0885	1.1022	2.6435	1.7879	3.6269		1.7876	3.0381	2.4566
H7	2.0885	1.1022	2.6435	1.7879	3.6269	1.7876		2.4566	3.0381
H8	2.0885	2.6435	1.1022	3.6269	1.7879	3.0381	2.4566		1.7876
H9	2.0885	2.6435	1.1022	3.6269	1.7879	2.4566	3.0381	1.7876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.304	O1	C2	H6	111.443
O1	C2	H7	111.443	O1	C3	H5	107.304
O1	C3	H8	111.443	O1	C3	H9	111.443
C2	O1	C3	112.137	H4	C2	H6	109.115
H4	C2	H7	109.115	H5	C3	H8	109.115
H5	C3	H9	109.115	H6	C2	H7	108.375
H8	C3	H9	108.375

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

using model chemistry: B97D3/aug-cc-pVQZ

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	-0.511
2	C	-0.670
3	C	-0.670
4	H	0.431
5	H	0.431
6	H	0.247
7	H	0.247
8	H	0.247
9	H	0.247

<r²>	52.992
(<r²>)^1/2	7.280

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

using model chemistry: B97D3/aug-cc-pVQZ

States and conformations

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