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	hartrees
Energy at 0K	-154.987298
Energy at 298.15K	-154.993996
HF Energy	-154.987298
Nuclear repulsion energy	84.045889

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	3158	3007	23.46	101.98	0.36	0.53
2	A₁	2999	2856	71.59	253.87	0.03	0.05
3	A₁	1527	1454	2.58	10.17	0.72	0.84
4	A₁	1502	1431	0.65	9.37	0.74	0.85
5	A₁	1279	1218	6.36	1.65	0.64	0.78
6	A₁	975	929	42.25	8.17	0.35	0.52
7	A₁	425	405	2.63	0.70	0.08	0.15
8	A₂	3053	2908	0.00	19.00	0.75	0.86
9	A₂	1494	1423	0.00	25.64	0.75	0.86
10	A₂	1174	1118	0.00	4.47	0.75	0.86
11	A₂	210	200	0.00	0.34	0.75	0.86
12	B₁	3046	2901	143.49	121.08	0.75	0.86
13	B₁	1507	1435	17.17	0.02	0.75	0.86
14	B₁	1206	1148	8.07	0.49	0.75	0.86
15	B₁	259	246	7.30	0.04	0.75	0.86
16	B₂	3156	3006	32.35	74.86	0.75	0.86
17	B₂	2989	2847	64.62	1.84	0.75	0.86
18	B₂	1507	1435	15.93	1.70	0.75	0.86
19	B₂	1474	1404	2.45	6.73	0.75	0.86
20	B₂	1240	1181	131.29	0.42	0.75	0.86
21	B₂	1141	1087	19.52	3.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.587
C2	0.000	1.168	-0.194
C3	0.000	-1.168	-0.194
H4	0.000	2.018	0.491
H5	0.000	-2.018	0.491
H6	0.894	1.223	-0.835
H7	-0.894	1.223	-0.835
H8	-0.894	-1.223	-0.835
H9	0.894	-1.223	-0.835

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4054	1.4054	2.0202	2.0202	2.0775	2.0775	2.0775	2.0775
C2	1.4054		2.3368	1.0914	3.2591	1.1010	1.1010	2.6324	2.6324
C3	1.4054	2.3368		3.2591	1.0914	2.6324	2.6324	1.1010	1.1010
H4	2.0202	1.0914	3.2591		4.0358	1.7854	1.7854	3.6141	3.6141
H5	2.0202	3.2591	1.0914	4.0358		3.6141	3.6141	1.7854	1.7854
H6	2.0775	1.1010	2.6324	1.7854	3.6141		1.7873	3.0300	2.4466
H7	2.0775	1.1010	2.6324	1.7854	3.6141	1.7873		2.4466	3.0300
H8	2.0775	2.6324	1.1010	3.6141	1.7854	3.0300	2.4466		1.7873
H9	2.0775	2.6324	1.1010	3.6141	1.7854	2.4466	3.0300	1.7873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.355	O1	C2	H6	111.398
O1	C2	H7	111.398	O1	C3	H5	107.355
O1	C3	H8	111.398	O1	C3	H9	111.398
C2	O1	C3	112.481	H4	C2	H6	109.055
H4	C2	H7	109.055	H5	C3	H8	109.055
H5	C3	H9	109.055	H6	C2	H7	108.531
H8	C3	H9	108.531

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

using model chemistry: wB97X-D/6-31+G**

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	-0.342
2	C	-0.251
3	C	-0.251
4	H	0.160
5	H	0.160
6	H	0.131
7	H	0.131
8	H	0.131
9	H	0.131

<r²>	52.438
(<r²>)^1/2	7.241

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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