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	hartrees
Energy at 0K	-154.102545
Energy at 298.15K	-154.109163
HF Energy	-154.102545
Nuclear repulsion energy	81.399962

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	3047	3030	29.74	92.88	0.30	0.46
2	A₁	2902	2886	56.44	191.16	0.03	0.07
3	A₁	1550	1541	0.22	33.69	0.75	0.86
4	A₁	1485	1476	0.35	14.88	0.66	0.80
5	A₁	1210	1203	0.04	6.01	0.72	0.84
6	A₁	837	832	16.51	9.30	0.34	0.50
7	A₁	391	389	3.21	0.94	0.10	0.19
8	A₂	2924	2908	0.00	22.22	0.75	0.86
9	A₂	1505	1496	0.00	54.38	0.75	0.86
10	A₂	1107	1101	0.00	14.72	0.75	0.86
11	A₂	250	249	0.00	0.34	0.75	0.86
12	B₁	2923	2907	172.30	92.66	0.75	0.86
13	B₁	1512	1503	11.77	1.30	0.75	0.86
14	B₁	1142	1136	1.26	5.14	0.75	0.86
15	B₁	241	240	7.06	0.05	0.75	0.86
16	B₂	3044	3027	29.61	73.93	0.75	0.86
17	B₂	2886	2870	54.96	5.09	0.75	0.86
18	B₂	1531	1523	16.99	5.94	0.75	0.86
19	B₂	1442	1434	13.53	12.68	0.75	0.86
20	B₂	1106	1100	22.09	3.71	0.75	0.86
21	B₂	1023	1017	67.90	2.92	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.628
C2	0.000	1.208	-0.212
C3	0.000	-1.208	-0.212
H4	0.000	2.058	0.486
H5	0.000	-2.058	0.486
H6	0.898	1.269	-0.861
H7	-0.898	1.269	-0.861
H8	-0.898	-1.269	-0.861
H9	0.898	-1.269	-0.861

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4714	1.4714	2.0627	2.0627	2.1528	2.1528	2.1528	2.1528
C2	1.4714		2.4162	1.0998	3.3397	1.1099	1.1099	2.7139	2.7139
C3	1.4714	2.4162		3.3397	1.0998	2.7139	2.7139	1.1099	1.1099
H4	2.0627	1.0998	3.3397		4.1157	1.8009	1.8009	3.7001	3.7001
H5	2.0627	3.3397	1.0998	4.1157		3.7001	3.7001	1.8009	1.8009
H6	2.1528	1.1099	2.7139	1.8009	3.7001		1.7968	3.1100	2.5384
H7	2.1528	1.1099	2.7139	1.8009	3.7001	1.7968		2.5384	3.1100
H8	2.1528	2.7139	1.1099	3.7001	1.8009	3.1100	2.5384		1.7968
H9	2.1528	2.7139	1.1099	3.7001	1.8009	2.5384	3.1100	1.7968

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	105.780	O1	C2	H6	112.269
O1	C2	H7	112.269	O1	C3	H5	105.780
O1	C3	H8	112.269	O1	C3	H9	112.269
C2	O1	C3	110.373	H4	C2	H6	109.179
H4	C2	H7	109.179	H5	C3	H8	109.179
H5	C3	H9	109.179	H6	C2	H7	108.092
H8	C3	H9	108.092

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

using model chemistry: BLYP/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	-0.423
2	C	-0.303
3	C	-0.303
4	H	0.192
5	H	0.192
6	H	0.161
7	H	0.161
8	H	0.161
9	H	0.161

<r²>	54.852
(<r²>)^1/2	7.406

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

using model chemistry: BLYP/3-21G

States and conformations

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