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	hartrees
Energy at 0K	-155.066887
Energy at 298.15K	-155.073558
HF Energy	-155.066887
Nuclear repulsion energy	83.842006

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	3124	3009	37.05	102.91	0.33	0.49
2	A₁	2971	2862	78.23	245.71	0.04	0.07
3	A₁	1545	1488	1.11	17.16	0.75	0.85
4	A₁	1510	1455	0.08	9.39	0.75	0.86
5	A₁	1280	1233	5.67	2.75	0.60	0.75
6	A₁	946	911	38.98	8.51	0.51	0.67
7	A₁	401	387	1.90	0.56	0.06	0.11
8	A₂	3008	2898	0.00	21.18	0.75	0.86
9	A₂	1507	1452	0.00	31.45	0.75	0.86
10	A₂	1171	1128	0.00	7.60	0.75	0.86
11	A₂	222	214	0.00	0.50	0.75	0.86
12	B₁	3004	2893	197.80	119.26	0.75	0.86
13	B₁	1517	1461	11.68	0.02	0.75	0.86
14	B₁	1202	1158	8.12	2.03	0.75	0.86
15	B₁	249	240	6.34	0.03	0.75	0.86
16	B₂	3123	3008	43.13	83.11	0.75	0.86
17	B₂	2957	2848	61.91	2.93	0.75	0.86
18	B₂	1526	1470	14.86	4.00	0.75	0.86
19	B₂	1478	1423	6.74	8.37	0.75	0.86
20	B₂	1199	1155	85.42	0.05	0.75	0.86
21	B₂	1124	1082	58.72	4.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.595
C2	0.000	1.169	-0.198
C3	0.000	-1.169	-0.198
H4	0.000	2.018	0.486
H5	0.000	-2.018	0.486
H6	0.893	1.221	-0.839
H7	-0.893	1.221	-0.839
H8	-0.893	-1.221	-0.839
H9	0.893	-1.221	-0.839

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4127	1.4127	2.0208	2.0208	2.0846	2.0846	2.0846	2.0846
C2	1.4127		2.3375	1.0903	3.2591	1.1005	1.1005	2.6303	2.6303
C3	1.4127	2.3375		3.2591	1.0903	2.6303	2.6303	1.1005	1.1005
H4	2.0208	1.0903	3.2591		4.0356	1.7855	1.7855	3.6113	3.6113
H5	2.0208	3.2591	1.0903	4.0356		3.6113	3.6113	1.7855	1.7855
H6	2.0846	1.1005	2.6303	1.7855	3.6113		1.7864	3.0254	2.4417
H7	2.0846	1.1005	2.6303	1.7855	3.6113	1.7864		2.4417	3.0254
H8	2.0846	2.6303	1.1005	3.6113	1.7855	3.0254	2.4417		1.7864
H9	2.0846	2.6303	1.1005	3.6113	1.7855	2.4417	3.0254	1.7864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.967	O1	C2	H6	111.485
O1	C2	H7	111.485	O1	C3	H5	106.967
O1	C3	H8	111.485	O1	C3	H9	111.485
C2	O1	C3	111.644	H4	C2	H6	109.172
H4	C2	H7	109.172	H5	C3	H8	109.172
H5	C3	H9	109.172	H6	C2	H7	108.512
H8	C3	H9	108.512

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

using model chemistry: TPSSh/6-311G*

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	-0.339
2	C	-0.404
3	C	-0.404
4	H	0.209
5	H	0.209
6	H	0.182
7	H	0.182
8	H	0.182
9	H	0.182

<r²>	52.454
(<r²>)^1/2	7.242

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

using model chemistry: TPSSh/6-311G*

States and conformations

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