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	hartrees
Energy at 0K	-154.132348
Energy at 298.15K	-154.139044
HF Energy	-154.132348
Nuclear repulsion energy	82.615034

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	3161	3002	25.12	86.40	0.35	0.52
2	A₁	3014	2863	43.93	190.33	0.04	0.07
3	A₁	1593	1513	1.37	32.52	0.75	0.86
4	A₁	1532	1455	0.72	12.57	0.69	0.82
5	A₁	1256	1192	0.03	4.94	0.67	0.81
6	A₁	912	866	20.78	11.46	0.34	0.51
7	A₁	404	384	4.18	0.55	0.06	0.11
8	A₂	3055	2901	0.00	15.79	0.75	0.86
9	A₂	1551	1473	0.00	51.73	0.75	0.86
10	A₂	1158	1100	0.00	11.34	0.75	0.86
11	A₂	248	235	0.00	0.24	0.75	0.86
12	B₁	3053	2899	141.18	91.01	0.75	0.86
13	B₁	1559	1481	18.75	0.97	0.75	0.86
14	B₁	1191	1131	1.52	4.38	0.75	0.86
15	B₁	249	237	8.58	0.04	0.75	0.86
16	B₂	3158	2999	23.22	72.46	0.75	0.86
17	B₂	3004	2852	44.18	1.98	0.75	0.86
18	B₂	1573	1494	17.81	5.12	0.75	0.86
19	B₂	1490	1415	4.52	10.90	0.75	0.86
20	B₂	1172	1113	58.79	0.47	0.75	0.86
21	B₂	1106	1051	35.00	5.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.614
C2	0.000	1.189	-0.206
C3	0.000	-1.189	-0.206
H4	0.000	2.037	0.481
H5	0.000	-2.037	0.481
H6	0.891	1.246	-0.849
H7	-0.891	1.246	-0.849
H8	-0.891	-1.246	-0.849
H9	0.891	-1.246	-0.849

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4446	1.4446	2.0416	2.0416	2.1183	2.1183	2.1183	2.1183
C2	1.4446		2.3790	1.0912	3.2991	1.1002	1.1002	2.6723	2.6723
C3	1.4446	2.3790		3.2991	1.0912	2.6723	2.6723	1.1002	1.1002
H4	2.0416	1.0912	3.2991		4.0746	1.7855	1.7855	3.6532	3.6532
H5	2.0416	3.2991	1.0912	4.0746		3.6532	3.6532	1.7855	1.7855
H6	2.1183	1.1002	2.6723	1.7855	3.6532		1.7817	3.0642	2.4930
H7	2.1183	1.1002	2.6723	1.7855	3.6532	1.7817		2.4930	3.0642
H8	2.1183	2.6723	1.1002	3.6532	1.7855	3.0642	2.4930		1.7817
H9	2.1183	2.6723	1.1002	3.6532	1.7855	2.4930	3.0642	1.7817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.413	O1	C2	H6	111.985
O1	C2	H7	111.985	O1	C3	H5	106.413
O1	C3	H8	111.985	O1	C3	H9	111.985
C2	O1	C3	110.860	H4	C2	H6	109.133
H4	C2	H7	109.133	H5	C3	H8	109.133
H5	C3	H9	109.133	H6	C2	H7	108.129
H8	C3	H9	108.129

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

using model chemistry: mPW1PW91/3-21G*

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	-0.494
2	C	-0.370
3	C	-0.370
4	H	0.230
5	H	0.230
6	H	0.193
7	H	0.193
8	H	0.193
9	H	0.193

<r²>	53.476
(<r²>)^1/2	7.313

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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