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	hartrees
Energy at 0K	-154.129764
Energy at 298.15K	-154.136534
HF Energy	-154.129764
Nuclear repulsion energy	84.825230

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	3248	2957	33.64	102.24	0.26	0.42
2	A₁	3129	2849	72.12	301.73	0.02	0.04
3	A₁	1634	1488	2.11	2.77	0.71	0.83
4	A₁	1621	1475	1.54	4.21	0.73	0.85
5	A₁	1389	1264	11.97	0.92	0.36	0.53
6	A₁	1031	939	39.72	10.34	0.28	0.44
7	A₁	438	399	2.96	0.76	0.07	0.12
8	A₂	3161	2878	0.00	12.03	0.75	0.86
9	A₂	1609	1465	0.00	10.14	0.75	0.86
10	A₂	1266	1153	0.00	1.49	0.75	0.86
11	A₂	199	182	0.00	0.07	0.75	0.86
12	B₁	3162	2879	153.08	87.92	0.75	0.86
13	B₁	1620	1475	12.08	0.06	0.75	0.86
14	B₁	1302	1185	11.90	0.13	0.75	0.86
15	B₁	256	233	6.46	0.01	0.75	0.86
16	B₂	3246	2955	51.19	64.99	0.75	0.86
17	B₂	3115	2836	57.56	0.82	0.75	0.86
18	B₂	1618	1473	10.44	1.08	0.75	0.86
19	B₂	1585	1443	6.33	0.74	0.75	0.86
20	B₂	1333	1214	158.64	1.33	0.75	0.86
21	B₂	1218	1109	45.58	1.99	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.567
C2	0.000	1.167	-0.188
C3	0.000	-1.167	-0.188
H4	0.000	2.003	0.496
H5	0.000	-2.003	0.496
H6	0.883	1.230	-0.820
H7	-0.883	1.230	-0.820
H8	-0.883	-1.230	-0.820
H9	0.883	-1.230	-0.820

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.3897	1.3897	2.0046	2.0046	2.0538	2.0538	2.0538	2.0538
C2	1.3897		2.3334	1.0802	3.2428	1.0879	1.0879	2.6314	2.6314
C3	1.3897	2.3334		3.2428	1.0802	2.6314	2.6314	1.0879	1.0879
H4	2.0046	1.0802	3.2428		4.0067	1.7631	1.7631	3.6009	3.6009
H5	2.0046	3.2428	1.0802	4.0067		3.6009	3.6009	1.7631	1.7631
H6	2.0538	1.0879	2.6314	1.7631	3.6009		1.7656	3.0283	2.4603
H7	2.0538	1.0879	2.6314	1.7631	3.6009	1.7656		2.4603	3.0283
H8	2.0538	2.6314	1.0879	3.6009	1.7631	3.0283	2.4603		1.7656
H9	2.0538	2.6314	1.0879	3.6009	1.7631	2.4603	3.0283	1.7656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.854	O1	C2	H6	111.402
O1	C2	H7	111.402	O1	C3	H5	107.854
O1	C3	H8	111.402	O1	C3	H9	111.402
C2	O1	C3	114.181	H4	C2	H6	108.822
H4	C2	H7	108.822	H5	C3	H8	108.822
H5	C3	H9	108.822	H6	C2	H7	108.477
H8	C3	H9	108.477

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

using model chemistry: HF/aug-cc-pVTZ

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	-0.503
2	C	-0.764
3	C	-0.764
4	H	0.356
5	H	0.356
6	H	0.330
7	H	0.330
8	H	0.330
9	H	0.330

<r²>	51.930
(<r²>)^1/2	7.206

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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