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	hartrees
Energy at 0K	-155.064050
Energy at 298.15K	-155.070741
HF Energy	-155.064050
Nuclear repulsion energy	83.868817

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	3117	3012	33.48	102.45	0.32	0.49
2	A₁	2972	2872	73.40	240.05	0.04	0.07
3	A₁	1536	1484	1.97	15.06	0.75	0.85
4	A₁	1506	1455	0.17	11.71	0.75	0.86
5	A₁	1277	1234	5.21	2.46	0.59	0.74
6	A₁	947	915	38.86	8.36	0.53	0.69
7	A₁	417	403	2.19	0.62	0.05	0.10
8	A₂	3005	2904	0.00	21.29	0.75	0.86
9	A₂	1497	1447	0.00	31.47	0.75	0.86
10	A₂	1172	1132	0.00	6.74	0.75	0.86
11	A₂	221	214	0.00	0.48	0.75	0.86
12	B₁	3002	2901	184.32	118.00	0.75	0.86
13	B₁	1507	1456	14.41	0.02	0.75	0.86
14	B₁	1203	1163	7.40	1.90	0.75	0.86
15	B₁	253	245	6.74	0.03	0.75	0.86
16	B₂	3116	3011	39.92	83.74	0.75	0.86
17	B₂	2957	2857	61.38	3.06	0.75	0.86
18	B₂	1515	1464	16.65	4.60	0.75	0.86
19	B₂	1476	1426	4.09	7.87	0.75	0.86
20	B₂	1206	1165	89.83	0.00	0.75	0.86
21	B₂	1127	1089	54.40	4.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.588
C2	0.000	1.172	-0.195
C3	0.000	-1.172	-0.195
H4	0.000	2.020	0.490
H5	0.000	-2.020	0.490
H6	0.892	1.232	-0.837
H7	-0.892	1.232	-0.837
H8	-0.892	-1.232	-0.837
H9	0.892	-1.232	-0.837

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4097	1.4097	2.0222	2.0222	2.0842	2.0842	2.0842	2.0842
C2	1.4097		2.3436	1.0904	3.2644	1.1003	1.1003	2.6429	2.6429
C3	1.4097	2.3436		3.2644	1.0904	2.6429	2.6429	1.1003	1.1003
H4	2.0222	1.0904	3.2644		4.0397	1.7824	1.7824	3.6235	3.6235
H5	2.0222	3.2644	1.0904	4.0397		3.6235	3.6235	1.7824	1.7824
H6	2.0842	1.1003	2.6429	1.7824	3.6235		1.7837	3.0417	2.4638
H7	2.0842	1.1003	2.6429	1.7824	3.6235	1.7837		2.4638	3.0417
H8	2.0842	2.6429	1.1003	3.6235	1.7824	3.0417	2.4638		1.7837
H9	2.0842	2.6429	1.1003	3.6235	1.7824	2.4638	3.0417	1.7837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.285	O1	C2	H6	111.687
O1	C2	H7	111.687	O1	C3	H5	107.285
O1	C3	H8	111.687	O1	C3	H9	111.687
C2	O1	C3	112.458	H4	C2	H6	108.906
H4	C2	H7	108.906	H5	C3	H8	108.906
H5	C3	H9	108.906	H6	C2	H7	108.304
H8	C3	H9	108.304

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

using model chemistry: B3LYPultrafine/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	-0.327
2	C	-0.415
3	C	-0.415
4	H	0.212
5	H	0.212
6	H	0.183
7	H	0.183
8	H	0.183
9	H	0.183

<r²>	52.682
(<r²>)^1/2	7.258

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

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

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