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	hartrees
Energy at 0K	-155.104599
Energy at 298.15K	-155.111247
HF Energy	-155.104599
Nuclear repulsion energy	83.909106

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	3109	3012	20.11	106.76	0.27	0.43
2	A₁	2971	2879	67.42	333.68	0.02	0.04
3	A₁	1514	1467	3.44	4.59	0.72	0.84
4	A₁	1489	1443	0.08	3.30	0.73	0.84
5	A₁	1268	1229	6.26	0.44	0.75	0.86
6	A₁	936	907	36.68	7.87	0.34	0.50
7	A₁	410	398	2.49	1.26	0.14	0.25
8	A₂	3008	2915	0.00	21.40	0.75	0.86
9	A₂	1485	1439	0.00	11.77	0.75	0.86
10	A₂	1164	1128	0.00	1.74	0.75	0.86
11	A₂	208	202	0.00	0.20	0.75	0.86
12	B₁	3003	2910	129.52	108.15	0.75	0.86
13	B₁	1493	1447	13.46	0.08	0.75	0.86
14	B₁	1193	1156	7.41	0.00	0.75	0.86
15	B₁	240	233	5.41	0.00	0.75	0.86
16	B₂	3108	3011	30.76	68.09	0.75	0.86
17	B₂	2960	2868	58.64	3.09	0.75	0.86
18	B₂	1498	1451	11.86	1.71	0.75	0.86
19	B₂	1462	1416	2.27	1.39	0.75	0.86
20	B₂	1194	1156	92.51	0.36	0.75	0.86
21	B₂	1117	1082	54.68	1.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.586
C2	0.000	1.175	-0.194
C3	0.000	-1.175	-0.194
H4	0.000	2.020	0.489
H5	0.000	-2.020	0.489
H6	0.890	1.232	-0.833
H7	-0.890	1.232	-0.833
H8	-0.890	-1.232	-0.833
H9	0.890	-1.232	-0.833

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4102	1.4102	2.0226	2.0226	2.0789	2.0789	2.0789	2.0789
C2	1.4102		2.3495	1.0875	3.2675	1.0966	1.0966	2.6440	2.6440
C3	1.4102	2.3495		3.2675	1.0875	2.6440	2.6440	1.0966	1.0966
H4	2.0226	1.0875	3.2675		4.0407	1.7782	1.7782	3.6217	3.6217
H5	2.0226	3.2675	1.0875	4.0407		3.6217	3.6217	1.7782	1.7782
H6	2.0789	1.0966	2.6440	1.7782	3.6217		1.7794	3.0390	2.4636
H7	2.0789	1.0966	2.6440	1.7782	3.6217	1.7794		2.4636	3.0390
H8	2.0789	2.6440	1.0966	3.6217	1.7782	3.0390	2.4636		1.7794
H9	2.0789	2.6440	1.0966	3.6217	1.7782	2.4636	3.0390	1.7794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.444	O1	C2	H6	111.438
O1	C2	H7	111.438	O1	C3	H5	107.444
O1	C3	H8	111.438	O1	C3	H9	111.438
C2	O1	C3	112.818	H4	C2	H6	109.009
H4	C2	H7	109.009	H5	C3	H8	109.009
H5	C3	H9	109.009	H6	C2	H7	108.450
H8	C3	H9	108.450

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

using model chemistry: B3LYP/aug-cc-pVQZ

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	-0.645
2	C	-0.571
3	C	-0.571
4	H	0.399
5	H	0.399
6	H	0.247
7	H	0.247
8	H	0.247
9	H	0.247

<r²>	52.825
(<r²>)^1/2	7.268

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

using model chemistry: B3LYP/aug-cc-pVQZ

States and conformations

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