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	hartrees
Energy at 0K	-154.873614
Energy at 298.15K	-154.880334
HF Energy	-154.873614
Nuclear repulsion energy	84.359189

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	3147	3016	30.72	97.54	0.34	0.51
2	A₁	2993	2869	67.97	239.57	0.03	0.06
3	A₁	1537	1473	2.85	14.67	0.75	0.85
4	A₁	1506	1444	0.27	11.79	0.75	0.86
5	A₁	1284	1231	5.89	2.02	0.57	0.73
6	A₁	986	945	40.31	7.80	0.54	0.70
7	A₁	419	402	2.16	0.51	0.04	0.07
8	A₂	3036	2910	0.00	19.43	0.75	0.86
9	A₂	1496	1434	0.00	30.84	0.75	0.86
10	A₂	1178	1129	0.00	5.80	0.75	0.86
11	A₂	224	214	0.00	0.49	0.75	0.86
12	B₁	3031	2905	170.98	113.55	0.75	0.86
13	B₁	1506	1443	17.25	0.01	0.75	0.86
14	B₁	1210	1160	6.81	1.70	0.75	0.86
15	B₁	260	249	6.76	0.04	0.75	0.86
16	B₂	3145	3015	36.22	79.50	0.75	0.86
17	B₂	2979	2855	60.88	2.06	0.75	0.86
18	B₂	1514	1452	18.64	4.41	0.75	0.86
19	B₂	1475	1414	2.04	7.60	0.75	0.86
20	B₂	1238	1187	122.05	0.23	0.75	0.86
21	B₂	1148	1100	22.82	3.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.589
C2	0.000	1.159	-0.194
C3	0.000	-1.159	-0.194
H4	0.000	2.013	0.484
H5	0.000	-2.013	0.484
H6	0.891	1.216	-0.837
H7	-0.891	1.216	-0.837
H8	-0.891	-1.216	-0.837
H9	0.891	-1.216	-0.837

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.3985	1.3985	2.0159	2.0159	2.0752	2.0752	2.0752	2.0752
C2	1.3985		2.3180	1.0908	3.2440	1.1008	1.1008	2.6172	2.6172
C3	1.3985	2.3180		3.2440	1.0908	2.6172	2.6172	1.1008	1.1008
H4	2.0159	1.0908	3.2440		4.0265	1.7823	1.7823	3.6014	3.6014
H5	2.0159	3.2440	1.0908	4.0265		3.6014	3.6014	1.7823	1.7823
H6	2.0752	1.1008	2.6172	1.7823	3.6014		1.7830	3.0158	2.4323
H7	2.0752	1.1008	2.6172	1.7823	3.6014	1.7830		2.4323	3.0158
H8	2.0752	2.6172	1.1008	3.6014	1.7823	3.0158	2.4323		1.7830
H9	2.0752	2.6172	1.1008	3.6014	1.7823	2.4323	3.0158	1.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.521	O1	C2	H6	111.714
O1	C2	H7	111.714	O1	C3	H5	107.521
O1	C3	H8	111.714	O1	C3	H9	111.714
C2	O1	C3	111.943	H4	C2	H6	108.827
H4	C2	H7	108.827	H5	C3	H8	108.827
H5	C3	H9	108.827	H6	C2	H7	108.168
H8	C3	H9	108.168

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

using model chemistry: PBE1PBE/6-311G*

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	-0.319
2	C	-0.463
3	C	-0.463
4	H	0.226
5	H	0.226
6	H	0.198
7	H	0.198
8	H	0.198
9	H	0.198

<r²>	52.010
(<r²>)^1/2	7.212

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

using model chemistry: PBE1PBE/6-311G*

States and conformations

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