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	hartrees
Energy at 0K	-154.181582
Energy at 298.15K	-154.188230
HF Energy	-154.181582
Nuclear repulsion energy	82.022688

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	3129	3022	30.80	93.97	0.33	0.50
2	A₁	2983	2880	51.74	199.09	0.04	0.07
3	A₁	1590	1535	0.25	33.72	0.75	0.86
4	A₁	1523	1471	0.57	11.86	0.67	0.80
5	A₁	1245	1202	0.00	5.84	0.69	0.82
6	A₁	879	849	18.51	11.70	0.33	0.50
7	A₁	390	376	3.58	0.65	0.07	0.13
8	A₂	3017	2913	0.00	17.13	0.75	0.86
9	A₂	1548	1495	0.00	52.29	0.75	0.86
10	A₂	1139	1100	0.00	13.71	0.75	0.86
11	A₂	246	237	0.00	0.27	0.75	0.86
12	B₁	3015	2911	167.27	95.84	0.75	0.86
13	B₁	1557	1503	13.18	1.00	0.75	0.86
14	B₁	1172	1132	1.83	5.01	0.75	0.86
15	B₁	243	235	7.70	0.04	0.75	0.86
16	B₂	3126	3019	29.67	75.63	0.75	0.86
17	B₂	2971	2869	45.85	2.74	0.75	0.86
18	B₂	1571	1518	15.70	4.78	0.75	0.86
19	B₂	1478	1427	11.05	11.54	0.75	0.86
20	B₂	1140	1101	35.88	1.95	0.75	0.86
21	B₂	1070	1033	54.97	4.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.627
C2	0.000	1.197	-0.212
C3	0.000	-1.197	-0.212
H4	0.000	2.046	0.475
H5	0.000	-2.046	0.475
H6	0.894	1.246	-0.855
H7	-0.894	1.246	-0.855
H8	-0.894	-1.246	-0.855
H9	0.894	-1.246	-0.855

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4616	1.4616	2.0514	2.0514	2.1330	2.1330	2.1330	2.1330
C2	1.4616		2.3930	1.0928	3.3144	1.1023	1.1023	2.6794	2.6794
C3	1.4616	2.3930		3.3144	1.0928	2.6794	2.6794	1.1023	1.1023
H4	2.0514	1.0928	3.3144		4.0915	1.7915	1.7915	3.6615	3.6615
H5	2.0514	3.3144	1.0928	4.0915		3.6615	3.6615	1.7915	1.7915
H6	2.1330	1.1023	2.6794	1.7915	3.6615		1.7877	3.0671	2.4923
H7	2.1330	1.1023	2.6794	1.7915	3.6615	1.7877		2.4923	3.0671
H8	2.1330	2.6794	1.1023	3.6615	1.7915	3.0671	2.4923		1.7877
H9	2.1330	2.6794	1.1023	3.6615	1.7915	2.4923	3.0671	1.7877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	105.945	O1	C2	H6	111.836
O1	C2	H7	111.836	O1	C3	H5	105.945
O1	C3	H8	111.836	O1	C3	H9	111.836
C2	O1	C3	109.893	H4	C2	H6	109.402
H4	C2	H7	109.402	H5	C3	H8	109.402
H5	C3	H9	109.402	H6	C2	H7	108.369
H8	C3	H9	108.369

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

using model chemistry: TPSSh/3-21G*

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	-0.476
2	C	-0.345
3	C	-0.345
4	H	0.218
5	H	0.218
6	H	0.183
7	H	0.183
8	H	0.183
9	H	0.183

<r²>	54.019
(<r²>)^1/2	7.350

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

using model chemistry: TPSSh/3-21G*

States and conformations

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