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	hartrees
Energy at 0K	-154.743665
Energy at 298.15K	-154.750276
HF Energy	-154.639881
Nuclear repulsion energy	82.235742

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	3189	3189	27.37	87.93	0.35	0.52
2	A₁	3025	3025	51.97	219.35	0.03	0.07
3	A₁	1573	1573	0.67	29.60	0.75	0.86
4	A₁	1526	1526	0.18	11.36	0.69	0.82
5	A₁	1264	1264	0.12	6.84	0.64	0.78
6	A₁	875	875	23.52	14.06	0.34	0.51
7	A₁	400	400	4.01	0.51	0.07	0.12
8	A₂	3082	3082	0.00	15.13	0.75	0.86
9	A₂	1542	1542	0.00	46.81	0.75	0.86
10	A₂	1161	1161	0.00	14.30	0.75	0.86
11	A₂	215	215	0.00	0.23	0.75	0.86
12	B₁	3080	3080	149.09	96.97	0.75	0.86
13	B₁	1550	1550	14.24	0.99	0.75	0.86
14	B₁	1192	1192	4.56	5.11	0.75	0.86
15	B₁	233	233	9.17	0.01	0.75	0.86
16	B₂	3186	3186	24.56	77.40	0.75	0.86
17	B₂	3017	3017	47.27	1.37	0.75	0.86
18	B₂	1558	1558	13.90	4.96	0.75	0.86
19	B₂	1496	1496	6.57	9.99	0.75	0.86
20	B₂	1175	1175	43.20	1.45	0.75	0.86
21	B₂	1080	1080	62.05	6.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.600
C2	0.000	1.210	-0.203
C3	0.000	-1.210	-0.203
H4	0.000	2.041	0.501
H5	0.000	-2.041	0.501
H6	0.894	1.267	-0.840
H7	-0.894	1.267	-0.840
H8	-0.894	-1.267	-0.840
H9	0.894	-1.267	-0.840

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4518	1.4518	2.0431	2.0431	2.1159	2.1159	2.1159	2.1159
C2	1.4518		2.4191	1.0896	3.3257	1.0990	1.0990	2.7085	2.7085
C3	1.4518	2.4191		3.3257	1.0896	2.7085	2.7085	1.0990	1.0990
H4	2.0431	1.0896	3.3257		4.0815	1.7881	1.7881	3.6793	3.6793
H5	2.0431	3.3257	1.0896	4.0815		3.6793	3.6793	1.7881	1.7881
H6	2.1159	1.0990	2.7085	1.7881	3.6793		1.7875	3.1005	2.5334
H7	2.1159	1.0990	2.7085	1.7881	3.6793	1.7875		2.5334	3.1005
H8	2.1159	2.7085	1.0990	3.6793	1.7881	3.1005	2.5334		1.7875
H9	2.1159	2.7085	1.0990	3.6793	1.7881	2.5334	3.1005	1.7875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.140	O1	C2	H6	111.341
O1	C2	H7	111.341	O1	C3	H5	106.140
O1	C3	H8	111.341	O1	C3	H9	111.341
C2	O1	C3	112.839	H4	C2	H6	109.576
H4	C2	H7	109.576	H5	C3	H8	109.576
H5	C3	H9	109.576	H6	C2	H7	108.825
H8	C3	H9	108.825

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

using model chemistry: B2PLYP/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	-0.539
2	C	-0.147
3	C	-0.147
4	H	0.162
5	H	0.162
6	H	0.127
7	H	0.127
8	H	0.127
9	H	0.127

<r²>	54.367
(<r²>)^1/2	7.373

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

using model chemistry: B2PLYP/6-31G

States and conformations

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