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	hartrees
Energy at 0K	-154.845494
Energy at 298.15K	-154.852072
HF Energy	-154.845494
Nuclear repulsion energy	83.212405

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	3059	3059	21.32	110.01	0.31	0.47
2	A₁	2900	2900	69.48	371.74	0.02	0.03
3	A₁	1434	1434	3.72	4.77	0.73	0.84
4	A₁	1401	1401	0.00	4.24	0.74	0.85
5	A₁	1208	1208	5.70	0.47	0.56	0.72
6	A₁	919	919	34.58	7.12	0.36	0.53
7	A₁	402	402	2.17	1.60	0.15	0.26
8	A₂	2950	2950	0.00	29.31	0.75	0.86
9	A₂	1398	1398	0.00	13.66	0.75	0.86
10	A₂	1105	1105	0.00	2.02	0.75	0.86
11	A₂	200	200	0.00	0.32	0.75	0.86
12	B₁	2942	2942	138.15	125.96	0.75	0.86
13	B₁	1409	1409	14.30	0.08	0.75	0.86
14	B₁	1133	1133	5.94	0.05	0.75	0.86
15	B₁	237	237	4.85	0.01	0.75	0.86
16	B₂	3059	3059	26.95	74.21	0.75	0.86
17	B₂	2887	2887	69.53	3.87	0.75	0.86
18	B₂	1415	1415	13.22	2.00	0.75	0.86
19	B₂	1373	1373	0.85	2.25	0.75	0.86
20	B₂	1146	1146	102.96	0.37	0.75	0.86
21	B₂	1077	1077	25.66	1.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.599
C2	0.000	1.176	-0.199
C3	0.000	-1.176	-0.199
H4	0.000	2.037	0.491
H5	0.000	-2.037	0.491
H6	0.903	1.228	-0.848
H7	-0.903	1.228	-0.848
H8	-0.903	-1.228	-0.848
H9	0.903	-1.228	-0.848

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4204	1.4204	2.0396	2.0396	2.1014	2.1014	2.1014	2.1014
C2	1.4204		2.3510	1.1036	3.2856	1.1134	1.1134	2.6485	2.6485
C3	1.4204	2.3510		3.2856	1.1036	2.6485	2.6485	1.1134	1.1134
H4	2.0396	1.1036	3.2856		4.0736	1.8062	1.8062	3.6426	3.6426
H5	2.0396	3.2856	1.1036	4.0736		3.6426	3.6426	1.8062	1.8062
H6	2.1014	1.1134	2.6485	1.8062	3.6426		1.8065	3.0491	2.4563
H7	2.1014	1.1134	2.6485	1.8062	3.6426	1.8065		2.4563	3.0491
H8	2.1014	2.6485	1.1134	3.6426	1.8062	3.0491	2.4563		1.8065
H9	2.1014	2.6485	1.1134	3.6426	1.8062	2.4563	3.0491	1.8065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.153	O1	C2	H6	111.488
O1	C2	H7	111.488	O1	C3	H5	107.153
O1	C3	H8	111.488	O1	C3	H9	111.488
C2	O1	C3	111.703	H4	C2	H6	109.116
H4	C2	H7	109.116	H5	C3	H8	109.116
H5	C3	H9	109.116	H6	C2	H7	108.431
H8	C3	H9	108.431

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

using model chemistry: PBEPBE/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	-0.512
2	C	1.098
3	C	1.098
4	H	-0.329
5	H	-0.329
6	H	-0.256
7	H	-0.256
8	H	-0.256
9	H	-0.256

<r²>	53.424
(<r²>)^1/2	7.309

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

using model chemistry: PBEPBE/daug-cc-pVDZ

States and conformations

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