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	hartrees
Energy at 0K	-154.960334
Energy at 298.15K	-154.966962
HF Energy	-154.960334
Nuclear repulsion energy	82.974113

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	3046	3023	30.71	100.47	0.31	0.47
2	A₁	2896	2874	67.16	214.61	0.03	0.06
3	A₁	1496	1485	0.13	20.37	0.74	0.85
4	A₁	1462	1451	0.01	17.84	0.73	0.84
5	A₁	1233	1223	3.39	3.72	0.66	0.79
6	A₁	903	896	31.17	7.83	0.41	0.59
7	A₁	403	400	2.38	0.70	0.05	0.10
8	A₂	2927	2905	0.00	20.92	0.75	0.86
9	A₂	1452	1441	0.00	42.99	0.75	0.86
10	A₂	1130	1122	0.00	9.25	0.75	0.86
11	A₂	225	223	0.00	0.30	0.75	0.86
12	B₁	2924	2901	168.94	99.37	0.75	0.86
13	B₁	1461	1449	7.32	0.53	0.75	0.86
14	B₁	1166	1157	5.07	3.84	0.75	0.86
15	B₁	247	245	5.62	0.07	0.75	0.86
16	B₂	3045	3021	36.48	77.01	0.75	0.86
17	B₂	2880	2857	64.71	3.97	0.75	0.86
18	B₂	1472	1461	13.07	4.39	0.75	0.86
19	B₂	1432	1421	13.69	10.57	0.75	0.86
20	B₂	1148	1140	69.00	0.68	0.75	0.86
21	B₂	1083	1075	64.73	4.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.600
C2	0.000	1.182	-0.199
C3	0.000	-1.182	-0.199
H4	0.000	2.038	0.492
H5	0.000	-2.038	0.492
H6	0.898	1.246	-0.849
H7	-0.898	1.246	-0.849
H8	-0.898	-1.246	-0.849
H9	0.898	-1.246	-0.849

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4268	1.4268	2.0410	2.0410	2.1111	2.1111	2.1111	2.1111
C2	1.4268		2.3647	1.0998	3.2938	1.1102	1.1102	2.6694	2.6694
C3	1.4268	2.3647		3.2938	1.0998	2.6694	2.6694	1.1102	1.1102
H4	2.0410	1.0998	3.2938		4.0764	1.7973	1.7973	3.6592	3.6592
H5	2.0410	3.2938	1.0998	4.0764		3.6592	3.6592	1.7973	1.7973
H6	2.1111	1.1102	2.6694	1.7973	3.6592		1.7959	3.0719	2.4923
H7	2.1111	1.1102	2.6694	1.7973	3.6592	1.7959		2.4923	3.0719
H8	2.1111	2.6694	1.1102	3.6592	1.7973	3.0719	2.4923		1.7959
H9	2.1111	2.6694	1.1102	3.6592	1.7973	2.4923	3.0719	1.7959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.053	O1	C2	H6	112.036
O1	C2	H7	112.036	O1	C3	H5	107.053
O1	C3	H8	112.036	O1	C3	H9	112.036
C2	O1	C3	111.921	H4	C2	H6	108.834
H4	C2	H7	108.834	H5	C3	H8	108.834
H5	C3	H9	108.834	H6	C2	H7	107.967
H8	C3	H9	107.967

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

using model chemistry: BLYP/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	-0.428
2	C	-0.045
3	C	-0.045
4	H	0.102
5	H	0.102
6	H	0.078
7	H	0.078
8	H	0.078
9	H	0.078

<r²>	53.385
(<r²>)^1/2	7.307

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

using model chemistry: BLYP/6-31G**

States and conformations

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