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	hartrees
Energy at 0K	-154.994266
Energy at 298.15K	-155.000939
HF Energy	-154.994266
Nuclear repulsion energy	83.932310

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	3142	3142	23.51	95.90	0.31	0.47
2	A₁	2988	2988	65.40	330.36	0.02	0.03
3	A₁	1493	1493	4.32	3.52	0.71	0.83
4	A₁	1469	1469	0.50	3.95	0.75	0.85
5	A₁	1265	1265	7.07	0.45	0.72	0.83
6	A₁	970	970	36.63	8.08	0.31	0.47
7	A₁	426	426	2.46	1.00	0.12	0.21
8	A₂	3043	3043	0.00	17.60	0.75	0.86
9	A₂	1461	1461	0.00	11.13	0.75	0.86
10	A₂	1156	1156	0.00	1.61	0.75	0.86
11	A₂	196	196	0.00	0.17	0.75	0.86
12	B₁	3037	3037	128.85	100.19	0.75	0.86
13	B₁	1475	1475	16.21	0.07	0.75	0.86
14	B₁	1189	1189	6.75	0.00	0.75	0.86
15	B₁	251	251	5.42	0.00	0.75	0.86
16	B₂	3141	3141	31.55	64.41	0.75	0.86
17	B₂	2977	2977	62.64	1.54	0.75	0.86
18	B₂	1474	1474	13.75	1.28	0.75	0.86
19	B₂	1437	1437	1.01	1.41	0.75	0.86
20	B₂	1225	1225	127.79	0.88	0.75	0.86
21	B₂	1126	1126	18.82	1.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.589
C2	0.000	1.168	-0.195
C3	0.000	-1.168	-0.195
H4	0.000	2.023	0.490
H5	0.000	-2.023	0.490
H6	0.897	1.221	-0.838
H7	-0.897	1.221	-0.838
H8	-0.897	-1.221	-0.838
H9	0.897	-1.221	-0.838

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4064	1.4064	2.0252	2.0252	2.0809	2.0809	2.0809	2.0809
C2	1.4064		2.3358	1.0954	3.2634	1.1047	1.1047	2.6314	2.6314
C3	1.4064	2.3358		3.2634	1.0954	2.6314	2.6314	1.1047	1.1047
H4	2.0252	1.0954	3.2634		4.0456	1.7918	1.7918	3.6180	3.6180
H5	2.0252	3.2634	1.0954	4.0456		3.6180	3.6180	1.7918	1.7918
H6	2.0809	1.1047	2.6314	1.7918	3.6180		1.7932	3.0297	2.4420
H7	2.0809	1.1047	2.6314	1.7918	3.6180	1.7932		2.4420	3.0297
H8	2.0809	2.6314	1.1047	3.6180	1.7918	3.0297	2.4420		1.7932
H9	2.0809	2.6314	1.1047	3.6180	1.7918	2.4420	3.0297	1.7932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.440	O1	C2	H6	111.362
O1	C2	H7	111.362	O1	C3	H5	107.440
O1	C3	H8	111.362	O1	C3	H9	111.362
C2	O1	C3	112.288	H4	C2	H6	109.059
H4	C2	H7	109.059	H5	C3	H8	109.059
H5	C3	H9	109.059	H6	C2	H7	108.511
H8	C3	H9	108.511

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

using model chemistry: wB97X-D/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	-0.616
2	C	1.091
3	C	1.091
4	H	-0.267
5	H	-0.267
6	H	-0.258
7	H	-0.258
8	H	-0.258
9	H	-0.258

<r²>	52.536
(<r²>)^1/2	7.248

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

using model chemistry: wB97X-D/daug-cc-pVDZ

States and conformations

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