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	hartrees
Energy at 0K	-154.858756
Energy at 298.15K	-154.865445
HF Energy	-154.858756
Nuclear repulsion energy	84.113768

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	3149	3029	22.17	106.59	0.34	0.51
2	A₁	2985	2871	57.00	260.80	0.03	0.06
3	A₁	1495	1438	1.42	13.19	0.74	0.85
4	A₁	1468	1412	0.68	14.77	0.75	0.86
5	A₁	1262	1214	7.59	0.96	0.50	0.67
6	A₁	987	949	36.91	7.27	0.51	0.67
7	A₁	414	398	2.40	0.48	0.04	0.07
8	A₂	3037	2922	0.00	20.01	0.75	0.86
9	A₂	1450	1395	0.00	32.77	0.75	0.86
10	A₂	1151	1107	0.00	3.70	0.75	0.86
11	A₂	219	210	0.00	0.29	0.75	0.86
12	B₁	3030	2915	148.26	117.31	0.75	0.86
13	B₁	1458	1402	13.52	0.14	0.75	0.86
14	B₁	1184	1139	7.27	1.60	0.75	0.86
15	B₁	253	243	5.49	0.04	0.75	0.86
16	B₂	3147	3027	29.01	84.85	0.75	0.86
17	B₂	2971	2858	60.79	1.80	0.75	0.86
18	B₂	1469	1413	18.05	4.04	0.75	0.86
19	B₂	1437	1382	5.93	6.43	0.75	0.86
20	B₂	1234	1187	137.46	0.56	0.75	0.86
21	B₂	1130	1087	9.89	2.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.590
C2	0.000	1.160	-0.193
C3	0.000	-1.160	-0.193
H4	0.000	2.022	0.487
H5	0.000	-2.022	0.487
H6	0.896	1.220	-0.844
H7	-0.896	1.220	-0.844
H8	-0.896	-1.220	-0.844
H9	0.896	-1.220	-0.844

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.3992	1.3992	2.0248	2.0248	2.0852	2.0852	2.0852	2.0852
C2	1.3992		2.3190	1.0989	3.2537	1.1091	1.1091	2.6249	2.6249
C3	1.3992	2.3190		3.2537	1.0989	2.6249	2.6249	1.1091	1.1091
H4	2.0248	1.0989	3.2537		4.0444	1.7940	1.7940	3.6179	3.6179
H5	2.0248	3.2537	1.0989	4.0444		3.6179	3.6179	1.7940	1.7940
H6	2.0852	1.1091	2.6249	1.7940	3.6179		1.7924	3.0281	2.4407
H7	2.0852	1.1091	2.6249	1.7940	3.6179	1.7924		2.4407	3.0281
H8	2.0852	2.6249	1.1091	3.6179	1.7940	3.0281	2.4407		1.7924
H9	2.0852	2.6249	1.1091	3.6179	1.7940	2.4407	3.0281	1.7924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.691	O1	C2	H6	111.947
O1	C2	H7	111.947	O1	C3	H5	107.691
O1	C3	H8	111.947	O1	C3	H9	111.947
C2	O1	C3	111.932	H4	C2	H6	108.681
H4	C2	H7	108.681	H5	C3	H8	108.681
H5	C3	H9	108.681	H6	C2	H7	107.809
H8	C3	H9	107.809

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

using model chemistry: HSEh1PBE/cc-pVDZ

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	-0.318
2	C	0.061
3	C	0.061
4	H	0.049
5	H	0.049
6	H	0.024
7	H	0.024
8	H	0.024
9	H	0.024

<r²>	52.147
(<r²>)^1/2	7.221

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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