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	hartrees
Energy at 0K	-154.861460
Energy at 298.15K	-154.868169
HF Energy	-154.705210
Nuclear repulsion energy	83.914765

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	3178	3178	29.86	89.31	0.35	0.52
2	A₁	3027	3027	57.31	205.42	0.03	0.06
3	A₁	1557	1557	0.20	20.76	0.74	0.85
4	A₁	1525	1525	0.02	13.57	0.73	0.85
5	A₁	1288	1288	5.11	3.78	0.59	0.74
6	A₁	964	964	33.63	9.26	0.39	0.57
7	A₁	420	420	2.63	0.50	0.02	0.04
8	A₂	3075	3075	0.00	13.94	0.75	0.86
9	A₂	1519	1519	0.00	38.84	0.75	0.86
10	A₂	1182	1182	0.00	8.07	0.75	0.86
11	A₂	221	221	0.00	0.22	0.75	0.86
12	B₁	3071	3071	147.26	92.86	0.75	0.86
13	B₁	1529	1529	8.67	0.45	0.75	0.86
14	B₁	1217	1217	7.06	3.51	0.75	0.86
15	B₁	258	258	6.38	0.07	0.75	0.86
16	B₂	3176	3176	33.05	72.19	0.75	0.86
17	B₂	3014	3014	54.95	1.17	0.75	0.86
18	B₂	1538	1538	11.88	3.12	0.75	0.86
19	B₂	1490	1490	12.24	9.08	0.75	0.86
20	B₂	1224	1224	108.64	0.00	0.75	0.86
21	B₂	1142	1142	32.17	4.99	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.594
C2	0.000	1.168	-0.197
C3	0.000	-1.168	-0.197
H4	0.000	2.019	0.483
H5	0.000	-2.019	0.483
H6	0.890	1.224	-0.839
H7	-0.890	1.224	-0.839
H8	-0.890	-1.224	-0.839
H9	0.890	-1.224	-0.839

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4111	1.4111	2.0223	2.0223	2.0843	2.0843	2.0843	2.0843
C2	1.4111		2.3366	1.0892	3.2592	1.0984	1.0984	2.6321	2.6321
C3	1.4111	2.3366		3.2592	1.0892	2.6321	2.6321	1.0984	1.0984
H4	2.0223	1.0892	3.2592		4.0385	1.7805	1.7805	3.6137	3.6137
H5	2.0223	3.2592	1.0892	4.0385		3.6137	3.6137	1.7805	1.7805
H6	2.0843	1.0984	2.6321	1.7805	3.6137		1.7791	3.0267	2.4486
H7	2.0843	1.0984	2.6321	1.7805	3.6137	1.7791		2.4486	3.0267
H8	2.0843	2.6321	1.0984	3.6137	1.7805	3.0267	2.4486		1.7791
H9	2.0843	2.6321	1.0984	3.6137	1.7805	2.4486	3.0267	1.7791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.266	O1	C2	H6	111.714
O1	C2	H7	111.714	O1	C3	H5	107.266
O1	C3	H8	111.714	O1	C3	H9	111.714
C2	O1	C3	111.775	H4	C2	H6	108.960
H4	C2	H7	108.960	H5	C3	H8	108.960
H5	C3	H9	108.960	H6	C2	H7	108.165
H8	C3	H9	108.165

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

using model chemistry: B2PLYP/6-31G**

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	-0.489
2	C	-0.054
3	C	-0.054
4	H	0.119
5	H	0.119
6	H	0.090
7	H	0.090
8	H	0.090
9	H	0.090

<r²>	52.394
(<r²>)^1/2	7.238

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

using model chemistry: B2PLYP/6-31G**

States and conformations

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