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	hartrees
Energy at 0K	-155.000759
Energy at 298.15K	-155.007386
HF Energy	-155.000759
Nuclear repulsion energy	83.611644

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	3062	3020	27.15	110.29	0.29	0.45
2	A₁	2914	2874	73.06	306.17	0.02	0.04
3	A₁	1485	1465	1.67	9.22	0.74	0.85
4	A₁	1457	1437	0.02	5.72	0.74	0.85
5	A₁	1240	1223	4.91	1.39	0.65	0.79
6	A₁	912	899	35.53	7.04	0.45	0.62
7	A₁	409	403	2.23	0.79	0.11	0.19
8	A₂	2950	2910	0.00	23.34	0.75	0.86
9	A₂	1449	1429	0.00	21.67	0.75	0.86
10	A₂	1137	1121	0.00	5.53	0.75	0.86
11	A₂	212	209	0.00	0.47	0.75	0.86
12	B₁	2945	2904	158.87	114.15	0.75	0.86
13	B₁	1459	1439	10.67	0.16	0.75	0.86
14	B₁	1168	1152	6.44	0.83	0.75	0.86
15	B₁	246	243	5.34	0.03	0.75	0.86
16	B₂	3060	3018	37.04	75.37	0.75	0.86
17	B₂	2900	2860	65.75	3.13	0.75	0.86
18	B₂	1467	1447	11.13	3.22	0.75	0.86
19	B₂	1429	1410	4.21	3.39	0.75	0.86
20	B₂	1155	1139	75.87	0.00	0.75	0.86
21	B₂	1089	1074	67.79	3.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.594
C2	0.000	1.174	-0.197
C3	0.000	-1.174	-0.197
H4	0.000	2.027	0.487
H5	0.000	-2.027	0.487
H6	0.894	1.228	-0.841
H7	-0.894	1.228	-0.841
H8	-0.894	-1.228	-0.841
H9	0.894	-1.228	-0.841

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4158	1.4158	2.0297	2.0297	2.0896	2.0896	2.0896	2.0896
C2	1.4158		2.3478	1.0931	3.2729	1.1029	1.1029	2.6424	2.6424
C3	1.4158	2.3478		3.2729	1.0931	2.6424	2.6424	1.1029	1.1029
H4	2.0297	1.0931	3.2729		4.0536	1.7886	1.7886	3.6269	3.6269
H5	2.0297	3.2729	1.0931	4.0536		3.6269	3.6269	1.7886	1.7886
H6	2.0896	1.1029	2.6424	1.7886	3.6269		1.7880	3.0379	2.4559
H7	2.0896	1.1029	2.6424	1.7886	3.6269	1.7880		2.4559	3.0379
H8	2.0896	2.6424	1.1029	3.6269	1.7886	3.0379	2.4559		1.7880
H9	2.0896	2.6424	1.1029	3.6269	1.7886	2.4559	3.0379	1.7880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.301	O1	C2	H6	111.520
O1	C2	H7	111.520	O1	C3	H5	107.301
O1	C3	H8	111.520	O1	C3	H9	111.520
C2	O1	C3	112.029	H4	C2	H6	109.072
H4	C2	H7	109.072	H5	C3	H8	109.072
H5	C3	H9	109.072	H6	C2	H7	108.306
H8	C3	H9	108.306

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

using model chemistry: B97D3/Def2TZVPP

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	-0.300
2	C	-0.048
3	C	-0.048
4	H	0.084
5	H	0.084
6	H	0.057
7	H	0.057
8	H	0.057
9	H	0.057

<r²>	52.892
(<r²>)^1/2	7.273

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

using model chemistry: B97D3/Def2TZVPP

States and conformations

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