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	hartrees
Energy at 0K	-154.884940
Energy at 298.15K	-154.891580
HF Energy	-154.718176
Nuclear repulsion energy	83.549317

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	3150	3150	22.70	98.61	0.31	0.48
2	A₁	3001	3001	65.77	341.32	0.02	0.03
3	A₁	1498	1498	3.12	5.08	0.73	0.85
4	A₁	1467	1467	0.02	3.06	0.75	0.85
5	A₁	1260	1260	6.58	0.45	0.68	0.81
6	A₁	939	939	35.35	9.56	0.27	0.43
7	A₁	414	414	2.38	1.17	0.14	0.24
8	A₂	3054	3054	0.00	18.82	0.75	0.86
9	A₂	1467	1467	0.00	12.08	0.75	0.86
10	A₂	1153	1153	0.00	1.80	0.75	0.86
11	A₂	196	196	0.00	0.19	0.75	0.86
12	B₁	3049	3049	126.35	105.16	0.75	0.86
13	B₁	1480	1480	13.17	0.05	0.75	0.86
14	B₁	1184	1184	7.35	0.01	0.75	0.86
15	B₁	244	244	5.30	0.00	0.75	0.86
16	B₂	3150	3150	29.36	66.95	0.75	0.86
17	B₂	2990	2990	60.70	1.70	0.75	0.86
18	B₂	1482	1482	11.51	1.42	0.75	0.86
19	B₂	1435	1435	2.18	1.59	0.75	0.86
20	B₂	1191	1191	100.06	0.56	0.75	0.86
21	B₂	1111	1111	40.06	1.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.596
C2	0.000	1.174	-0.198
C3	0.000	-1.174	-0.198
H4	0.000	2.029	0.486
H5	0.000	-2.029	0.486
H6	0.897	1.223	-0.840
H7	-0.897	1.223	-0.840
H8	-0.897	-1.223	-0.840
H9	0.897	-1.223	-0.840

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4174	1.4174	2.0319	2.0319	2.0885	2.0885	2.0885	2.0885
C2	1.4174		2.3484	1.0951	3.2755	1.1039	1.1039	2.6388	2.6388
C3	1.4174	2.3484		3.2755	1.0951	2.6388	2.6388	1.1039	1.1039
H4	2.0319	1.0951	3.2755		4.0580	1.7927	1.7927	3.6249	3.6249
H5	2.0319	3.2755	1.0951	4.0580		3.6249	3.6249	1.7927	1.7927
H6	2.0885	1.1039	2.6388	1.7927	3.6249		1.7932	3.0330	2.4462
H7	2.0885	1.1039	2.6388	1.7927	3.6249	1.7932		2.4462	3.0330
H8	2.0885	2.6388	1.1039	3.6249	1.7927	3.0330	2.4462		1.7932
H9	2.0885	2.6388	1.1039	3.6249	1.7927	2.4462	3.0330	1.7932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.244	O1	C2	H6	111.252
O1	C2	H7	111.252	O1	C3	H5	107.244
O1	C3	H8	111.252	O1	C3	H9	111.252
C2	O1	C3	111.875	H4	C2	H6	109.214
H4	C2	H7	109.214	H5	C3	H8	109.214
H5	C3	H9	109.214	H6	C2	H7	108.624
H8	C3	H9	108.624

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

using model chemistry: B2PLYP/daug-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	-0.691
2	C	1.302
3	C	1.302
4	H	-0.338
5	H	-0.338
6	H	-0.309
7	H	-0.309
8	H	-0.309
9	H	-0.309

<r²>	53.096
(<r²>)^1/2	7.287

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

using model chemistry: B2PLYP/daug-cc-pVDZ

States and conformations

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