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	hartrees
Energy at 0K	-154.917416
Energy at 298.15K	-154.924028
Nuclear repulsion energy	82.618205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3178	3043	26.68
2	A₁	3009	2881	54.23
3	A₁	1555	1489	1.93
4	A₁	1511	1448	0.23
5	A₁	1257	1204	0.03
6	A₁	898	860	25.46
7	A₁	398	381	3.96
8	A₂	3067	2937	0.00
9	A₂	1521	1457	0.00
10	A₂	1154	1105	0.00
11	A₂	216	207	0.00
12	B₁	3064	2934	154.44
13	B₁	1529	1465	18.79
14	B₁	1185	1135	3.23
15	B₁	232	222	9.32
16	B₂	3175	3041	23.80
17	B₂	2998	2871	54.87
18	B₂	1536	1471	17.03
19	B₂	1483	1421	2.30
20	B₂	1176	1126	56.62
21	B₂	1098	1051	50.72

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.595
C2	0.000	1.201	-0.200
C3	0.000	-1.201	-0.200
H4	0.000	2.035	0.502
H5	0.000	-2.035	0.502
H6	0.894	1.264	-0.839
H7	-0.894	1.264	-0.839
H8	-0.894	-1.264	-0.839
H9	0.894	-1.264	-0.839

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4403	1.4403	2.0372	2.0372	2.1100	2.1100	2.1100	2.1100
C2	1.4403		2.4017	1.0906	3.3113	1.1004	1.1004	2.6982	2.6982
C3	1.4403	2.4017		3.3113	1.0906	2.6982	2.6982	1.1004	1.1004
H4	2.0372	1.0906	3.3113		4.0701	1.7870	1.7870	3.6714	3.6714
H5	2.0372	3.3113	1.0906	4.0701		3.6714	3.6714	1.7870	1.7870
H6	2.1100	1.1004	2.6982	1.7870	3.6714		1.7875	3.0953	2.5270
H7	2.1100	1.1004	2.6982	1.7870	3.6714	1.7875		2.5270	3.0953
H8	2.1100	2.6982	1.1004	3.6714	1.7870	3.0953	2.5270		1.7875
H9	2.1100	2.6982	1.1004	3.6714	1.7870	2.5270	3.0953	1.7875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.386	O1	C2	H6	111.596
O1	C2	H7	111.596	O1	C3	H5	106.386
O1	C3	H8	111.596	O1	C3	H9	111.596
C2	O1	C3	112.975	H4	C2	H6	109.295
H4	C2	H7	109.295	H5	C3	H8	109.295
H5	C3	H9	109.295	H6	C2	H7	108.620
H8	C3	H9	108.620

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

using model chemistry: B3PW91/6-31G

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	-0.519
2	C	-0.220
3	C	-0.220
4	H	0.184
5	H	0.184
6	H	0.148
7	H	0.148
8	H	0.148
9	H	0.148

<r²>	53.804
(<r²>)^1/2	7.335

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

using model chemistry: B3PW91/6-31G

States and conformations

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