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	hartrees
Energy at 0K	-154.987158
Energy at 298.15K	-154.993787
HF Energy	-154.987158
Nuclear repulsion energy	83.789180

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	3137	3026	22.13	98.93	0.31	0.47
2	A₁	2983	2877	64.05	330.93	0.02	0.03
3	A₁	1481	1429	4.48	4.51	0.73	0.84
4	A₁	1457	1405	0.08	3.68	0.73	0.84
5	A₁	1252	1208	6.32	0.36	0.70	0.83
6	A₁	956	922	35.15	7.70	0.32	0.49
7	A₁	411	396	2.32	1.21	0.14	0.25
8	A₂	3037	2929	0.00	21.41	0.75	0.86
9	A₂	1448	1397	0.00	12.37	0.75	0.86
10	A₂	1144	1103	0.00	1.63	0.75	0.86
11	A₂	197	190	0.00	0.25	0.75	0.86
12	B₁	3031	2924	127.52	106.52	0.75	0.86
13	B₁	1460	1409	15.31	0.08	0.75	0.86
14	B₁	1175	1133	6.14	0.00	0.75	0.86
15	B₁	240	232	5.28	0.00	0.75	0.86
16	B₂	3136	3025	28.28	67.00	0.75	0.86
17	B₂	2972	2866	64.85	2.06	0.75	0.86
18	B₂	1463	1411	12.87	1.52	0.75	0.86
19	B₂	1426	1376	1.16	1.64	0.75	0.86
20	B₂	1201	1159	117.97	0.76	0.75	0.86
21	B₂	1115	1075	22.54	1.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.590
C2	0.000	1.170	-0.195
C3	0.000	-1.170	-0.195
H4	0.000	2.025	0.491
H5	0.000	-2.025	0.491
H6	0.897	1.225	-0.839
H7	-0.897	1.225	-0.839
H8	-0.897	-1.225	-0.839
H9	0.897	-1.225	-0.839

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4093	1.4093	2.0275	2.0275	2.0852	2.0852	2.0852	2.0852
C2	1.4093		2.3402	1.0965	3.2681	1.1055	1.1055	2.6373	2.6373
C3	1.4093	2.3402		3.2681	1.0965	2.6373	2.6373	1.1055	1.1055
H4	2.0275	1.0965	3.2681		4.0502	1.7929	1.7929	3.6246	3.6246
H5	2.0275	3.2681	1.0965	4.0502		3.6246	3.6246	1.7929	1.7929
H6	2.0852	1.1055	2.6373	1.7929	3.6246		1.7940	3.0366	2.4500
H7	2.0852	1.1055	2.6373	1.7929	3.6246	1.7940		2.4500	3.0366
H8	2.0852	2.6373	1.1055	3.6246	1.7929	3.0366	2.4500		1.7940
H9	2.0852	2.6373	1.1055	3.6246	1.7929	2.4500	3.0366	1.7940

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.369	O1	C2	H6	111.460
O1	C2	H7	111.460	O1	C3	H5	107.369
O1	C3	H8	111.460	O1	C3	H9	111.460
C2	O1	C3	112.254	H4	C2	H6	109.016
H4	C2	H7	109.016	H5	C3	H8	109.016
H5	C3	H9	109.016	H6	C2	H7	108.467
H8	C3	H9	108.467

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

using model chemistry: B3PW91/aug-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	-0.531
2	C	0.786
3	C	0.786
4	H	-0.312
5	H	-0.312
6	H	-0.104
7	H	-0.104
8	H	-0.104
9	H	-0.104

<r²>	52.712
(<r²>)^1/2	7.260

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

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

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