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	hartrees
Energy at 0K	-30.071096
Energy at 298.15K	-30.077759
Nuclear repulsion energy	49.717059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3349	3018	76.50
2	A₁	3195	2880	98.49
3	A₁	1647	1485	1.88
4	A₁	1618	1459	0.08
5	A₁	1360	1225	3.17
6	A₁	971	875	39.47
7	A₁	406	366	4.83
8	A₂	3257	2936	0.00
9	A₂	1626	1466	0.00
10	A₂	1247	1124	0.00
11	A₂	193	174	0.00
12	B₁	3261	2939	262.76
13	B₁	1637	1475	16.67
14	B₁	1275	1150	11.05
15	B₁	233	210	12.79
16	B₂	3344	3014	62.01
17	B₂	3183	2869	85.04
18	B₂	1634	1473	14.50
19	B₂	1589	1432	7.09
20	B₂	1300	1172	127.66
21	B₂	1188	1071	42.71

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.590
C2	0.000	1.212	-0.174
C3	0.000	-1.212	-0.174
H4	0.000	2.031	0.535
H5	0.000	-2.031	0.535
H6	0.890	1.277	-0.804
H7	-0.890	1.277	-0.804
H8	-0.890	-1.277	-0.804
H9	0.890	-1.277	-0.804

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4328	1.4328	2.0321	2.0321	2.0898	2.0898	2.0898	2.0898
C2	1.4328		2.4239	1.0834	3.3198	1.0926	1.0926	2.7170	2.7170
C3	1.4328	2.4239		3.3198	1.0834	2.7170	2.7170	1.0926	1.0926
H4	2.0321	1.0834	3.3198		4.0626	1.7764	1.7764	3.6780	3.6780
H5	2.0321	3.3198	1.0834	4.0626		3.6780	3.6780	1.7764	1.7764
H6	2.0898	1.0926	2.7170	1.7764	3.6780		1.7803	3.1124	2.5530
H7	2.0898	1.0926	2.7170	1.7764	3.6780	1.7803		2.5530	3.1124
H8	2.0898	2.7170	1.0926	3.6780	1.7764	3.1124	2.5530		1.7803
H9	2.0898	2.7170	1.0926	3.6780	1.7764	2.5530	3.1124	1.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.899	O1	C2	H6	110.962
O1	C2	H7	110.962	O1	C3	H5	106.899
O1	C3	H8	110.962	O1	C3	H9	110.962
C2	O1	C3	115.522	H4	C2	H6	109.435
H4	C2	H7	109.435	H5	C3	H8	109.435
H5	C3	H9	109.435	H6	C2	H7	109.107
H8	C3	H9	109.107

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

using model chemistry: HF/CEP-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	-0.404
2	C	-0.207
3	C	-0.207
4	H	0.176
5	H	0.176
6	H	0.116
7	H	0.116
8	H	0.116
9	H	0.116

<r²>	47.242
(<r²>)^1/2	6.873

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

using model chemistry: HF/CEP-31G

States and conformations

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