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	hartrees
Energy at 0K	-153.989403
Energy at 298.15K	-153.996105
HF Energy	-153.989403
Nuclear repulsion energy	82.618687

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	3156	3029	24.20	85.77	0.35	0.52
2	A₁	3007	2886	42.99	189.27	0.03	0.07
3	A₁	1588	1524	1.47	32.59	0.75	0.86
4	A₁	1527	1466	0.78	12.74	0.69	0.82
5	A₁	1253	1202	0.03	4.94	0.68	0.81
6	A₁	916	879	20.73	11.29	0.34	0.51
7	A₁	405	389	4.14	0.55	0.05	0.10
8	A₂	3049	2926	0.00	15.53	0.75	0.86
9	A₂	1545	1483	0.00	51.87	0.75	0.86
10	A₂	1156	1110	0.00	11.14	0.75	0.86
11	A₂	250	240	0.00	0.24	0.75	0.86
12	B₁	3046	2924	138.07	89.98	0.75	0.86
13	B₁	1553	1491	19.28	0.97	0.75	0.86
14	B₁	1189	1141	1.48	4.42	0.75	0.86
15	B₁	251	241	8.53	0.04	0.75	0.86
16	B₂	3153	3026	22.46	71.54	0.75	0.86
17	B₂	2996	2876	43.51	1.91	0.75	0.86
18	B₂	1568	1505	18.03	5.11	0.75	0.86
19	B₂	1485	1425	3.92	11.06	0.75	0.86
20	B₂	1171	1124	63.09	0.33	0.75	0.86
21	B₂	1107	1063	30.13	5.37	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.615
C2	0.000	1.188	-0.206
C3	0.000	-1.188	-0.206
H4	0.000	2.038	0.480
H5	0.000	-2.038	0.480
H6	0.892	1.244	-0.851
H7	-0.892	1.244	-0.851
H8	-0.892	-1.244	-0.851
H9	0.892	-1.244	-0.851

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4439	1.4439	2.0427	2.0427	2.1190	2.1190	2.1190	2.1190
C2	1.4439		2.3758	1.0925	3.2982	1.1018	1.1018	2.6692	2.6692
C3	1.4439	2.3758		3.2982	1.0925	2.6692	2.6692	1.1018	1.1018
H4	2.0427	1.0925	3.2982		4.0765	1.7879	1.7879	3.6522	3.6522
H5	2.0427	3.2982	1.0925	4.0765		3.6522	3.6522	1.7879	1.7879
H6	2.1190	1.1018	2.6692	1.7879	3.6522		1.7835	3.0611	2.4878
H7	2.1190	1.1018	2.6692	1.7879	3.6522	1.7835		2.4878	3.0611
H8	2.1190	2.6692	1.1018	3.6522	1.7879	3.0611	2.4878		1.7835
H9	2.1190	2.6692	1.1018	3.6522	1.7879	2.4878	3.0611	1.7835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.462	O1	C2	H6	111.990
O1	C2	H7	111.990	O1	C3	H5	106.462
O1	C3	H8	111.990	O1	C3	H9	111.990
C2	O1	C3	110.712	H4	C2	H6	109.135
H4	C2	H7	109.135	H5	C3	H8	109.135
H5	C3	H9	109.135	H6	C2	H7	108.071
H8	C3	H9	108.071

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

using model chemistry: PBE1PBE/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	-0.491
2	C	-0.373
3	C	-0.373
4	H	0.231
5	H	0.231
6	H	0.194
7	H	0.194
8	H	0.194
9	H	0.194

<r²>	53.476
(<r²>)^1/2	7.313

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

using model chemistry: PBE1PBE/3-21G*

States and conformations

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