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	hartrees
Energy at 0K	-152.946473
Energy at 298.15K	-152.952965
HF Energy	-152.946473
Nuclear repulsion energy	80.725134

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	3323	3074	7.55	37.60	0.55	0.71
2	A₁	3106	2873	14.10	90.81	0.01	0.02
3	A₁	1634	1512	0.68	26.52	0.75	0.86
4	A₁	1558	1442	0.25	6.91	0.71	0.83
5	A₁	1283	1187	0.14	3.89	0.68	0.81
6	A₁	916	848	3.00	6.91	0.30	0.46
7	A₁	440	407	0.88	0.88	0.17	0.29
8	A₂	3233	2992	0.00	10.78	0.75	0.86
9	A₂	1602	1482	0.00	32.35	0.75	0.86
10	A₂	1129	1045	0.00	6.16	0.75	0.86
11	A₂	235	217	0.00	0.06	0.75	0.86
12	B₁	3228	2987	45.29	45.14	0.75	0.86
13	B₁	1601	1481	6.56	2.57	0.75	0.86
14	B₁	1146	1060	2.21	3.03	0.75	0.86
15	B₁	258	239	2.92	0.01	0.75	0.86
16	B₂	3320	3071	0.39	34.92	0.75	0.86
17	B₂	3101	2869	30.27	0.19	0.75	0.86
18	B₂	1628	1506	8.95	0.61	0.75	0.86
19	B₂	1518	1405	18.75	7.58	0.75	0.86
20	B₂	1138	1053	16.72	0.00	0.75	0.86
21	B₂	1113	1030	5.49	4.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.667
C2	0.000	1.194	-0.225
C3	0.000	-1.194	-0.225
H4	0.000	2.084	0.446
H5	0.000	-2.084	0.446
H6	0.907	1.240	-0.883
H7	-0.907	1.240	-0.883
H8	-0.907	-1.240	-0.883
H9	0.907	-1.240	-0.883

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4909	1.4909	2.0956	2.0956	2.1826	2.1826	2.1826	2.1826
C2	1.4909		2.3889	1.1142	3.3464	1.1217	1.1217	2.6797	2.6797
C3	1.4909	2.3889		3.3464	1.1142	2.6797	2.6797	1.1217	1.1217
H4	2.0956	1.1142	3.3464		4.1679	1.8175	1.8175	3.6927	3.6927
H5	2.0956	3.3464	1.1142	4.1679		3.6927	3.6927	1.8175	1.8175
H6	2.1826	1.1217	2.6797	1.8175	3.6927		1.8140	3.0720	2.4792
H7	2.1826	1.1217	2.6797	1.8175	3.6927	1.8140		2.4792	3.0720
H8	2.1826	2.6797	1.1217	3.6927	1.8175	3.0720	2.4792		1.8140
H9	2.1826	2.6797	1.1217	3.6927	1.8175	2.4792	3.0720	1.8140

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.207	O1	C2	H6	112.552
O1	C2	H7	112.552	O1	C3	H5	106.207
O1	C3	H8	112.552	O1	C3	H9	112.552
C2	O1	C3	106.482	H4	C2	H6	108.749
H4	C2	H7	108.749	H5	C3	H8	108.749
H5	C3	H9	108.749	H6	C2	H7	107.917
H8	C3	H9	107.917

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

using model chemistry: BLYP/STO-3G

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	-0.164
2	C	-0.129
3	C	-0.129
4	H	0.079
5	H	0.079
6	H	0.066
7	H	0.066
8	H	0.066
9	H	0.066

<r²>	54.240
(<r²>)^1/2	7.365

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

using model chemistry: BLYP/STO-3G

States and conformations

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