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	hartrees
Energy at 0K	-152.888949
Energy at 298.15K	-152.895569
HF Energy	-152.888949
Nuclear repulsion energy	82.234066

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	3486	3078	3.30	34.71	0.59	0.74
2	A₁	3272	2889	9.17	79.22	0.01	0.02
3	A₁	1694	1496	1.49	25.86	0.75	0.86
4	A₁	1626	1436	0.45	5.93	0.74	0.85
5	A₁	1346	1189	0.02	3.38	0.61	0.76
6	A₁	1009	891	4.02	7.84	0.31	0.48
7	A₁	463	408	1.05	0.57	0.14	0.24
8	A₂	3417	3017	0.00	7.79	0.75	0.86
9	A₂	1662	1468	0.00	31.46	0.75	0.86
10	A₂	1194	1054	0.00	5.02	0.75	0.86
11	A₂	241	213	0.00	0.04	0.75	0.86
12	B₁	3412	3013	26.32	41.48	0.75	0.86
13	B₁	1662	1467	9.26	2.42	0.75	0.86
14	B₁	1211	1070	3.41	2.71	0.75	0.86
15	B₁	271	240	3.32	0.01	0.75	0.86
16	B₂	3484	3076	0.00	31.40	0.75	0.86
17	B₂	3270	2888	19.46	0.01	0.75	0.86
18	B₂	1687	1490	9.27	0.45	0.75	0.86
19	B₂	1586	1400	13.16	6.71	0.75	0.86
20	B₂	1262	1115	23.35	1.50	0.75	0.86
21	B₂	1178	1040	0.08	2.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.650
C2	0.000	1.171	-0.217
C3	0.000	-1.171	-0.217
H4	0.000	2.057	0.441
H5	0.000	-2.057	0.441
H6	0.897	1.214	-0.869
H7	-0.897	1.214	-0.869
H8	-0.897	-1.214	-0.869
H9	0.897	-1.214	-0.869

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4568	1.4568	2.0672	2.0672	2.1416	2.1416	2.1416	2.1416
C2	1.4568		2.3410	1.1036	3.2934	1.1096	1.1096	2.6297	2.6297
C3	1.4568	2.3410		3.2934	1.1036	2.6297	2.6297	1.1096	1.1096
H4	2.0672	1.1036	3.2934		4.1131	1.7972	1.7972	3.6354	3.6354
H5	2.0672	3.2934	1.1036	4.1131		3.6354	3.6354	1.7972	1.7972
H6	2.1416	1.1096	2.6297	1.7972	3.6354		1.7936	3.0187	2.4280
H7	2.1416	1.1096	2.6297	1.7972	3.6354	1.7936		2.4280	3.0187
H8	2.1416	2.6297	1.1096	3.6354	1.7972	3.0187	2.4280		1.7936
H9	2.1416	2.6297	1.1096	3.6354	1.7972	2.4280	3.0187	1.7936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.865	O1	C2	H6	112.415
O1	C2	H7	112.415	O1	C3	H5	106.865
O1	C3	H8	112.415	O1	C3	H9	112.415
C2	O1	C3	106.923	H4	C2	H6	108.591
H4	C2	H7	108.591	H5	C3	H8	108.591
H5	C3	H9	108.591	H6	C2	H7	107.847
H8	C3	H9	107.847

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

using model chemistry: HSEh1PBE/STO-3G

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	-0.185
2	C	-0.140
3	C	-0.140
4	H	0.087
5	H	0.087
6	H	0.073
7	H	0.073
8	H	0.073
9	H	0.073

<r²>	52.657
(<r²>)^1/2	7.257

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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