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	hartrees
Energy at 0K	-154.125406
Energy at 298.15K	-154.132131
HF Energy	-154.125406
Nuclear repulsion energy	82.636313

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	3166	3001	24.23	86.25	0.35	0.51
2	A₁	3018	2860	42.92	188.49	0.04	0.07
3	A₁	1594	1511	1.59	32.83	0.75	0.86
4	A₁	1540	1459	0.86	13.06	0.70	0.82
5	A₁	1262	1196	0.03	5.14	0.68	0.81
6	A₁	912	864	21.66	11.98	0.35	0.52
7	A₁	419	397	4.47	0.50	0.04	0.08
8	A₂	3059	2899	0.00	14.99	0.75	0.86
9	A₂	1554	1473	0.00	52.65	0.75	0.86
10	A₂	1166	1105	0.00	11.45	0.75	0.86
11	A₂	247	234	0.00	0.23	0.75	0.86
12	B₁	3056	2897	140.27	93.11	0.75	0.86
13	B₁	1564	1482	20.17	1.03	0.75	0.86
14	B₁	1199	1137	1.69	4.31	0.75	0.86
15	B₁	258	245	8.63	0.03	0.75	0.86
16	B₂	3163	2998	22.47	73.54	0.75	0.86
17	B₂	3008	2851	40.66	1.81	0.75	0.86
18	B₂	1575	1493	17.68	4.90	0.75	0.86
19	B₂	1498	1420	3.78	10.91	0.75	0.86
20	B₂	1180	1118	57.96	0.47	0.75	0.86
21	B₂	1112	1053	37.07	5.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.613
C2	0.000	1.190	-0.206
C3	0.000	-1.190	-0.206
H4	0.000	2.038	0.481
H5	0.000	-2.038	0.481
H6	0.891	1.245	-0.849
H7	-0.891	1.245	-0.849
H8	-0.891	-1.245	-0.849
H9	0.891	-1.245	-0.849

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4439	1.4439	2.0418	2.0418	2.1165	2.1165	2.1165	2.1165
C2	1.4439		2.3793	1.0911	3.2994	1.1005	1.1005	2.6710	2.6710
C3	1.4439	2.3793		3.2994	1.0911	2.6710	2.6710	1.1005	1.1005
H4	2.0418	1.0911	3.2994		4.0750	1.7865	1.7865	3.6519	3.6519
H5	2.0418	3.2994	1.0911	4.0750		3.6519	3.6519	1.7865	1.7865
H6	2.1165	1.1005	2.6710	1.7865	3.6519		1.7824	3.0618	2.4895
H7	2.1165	1.1005	2.6710	1.7865	3.6519	1.7824		2.4895	3.0618
H8	2.1165	2.6710	1.1005	3.6519	1.7865	3.0618	2.4895		1.7824
H9	2.1165	2.6710	1.1005	3.6519	1.7865	2.4895	3.0618	1.7824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.471	O1	C2	H6	111.869
O1	C2	H7	111.869	O1	C3	H5	106.471
O1	C3	H8	111.869	O1	C3	H9	111.869
C2	O1	C3	110.957	H4	C2	H6	109.207
H4	C2	H7	109.207	H5	C3	H8	109.207
H5	C3	H9	109.207	H6	C2	H7	108.165
H8	C3	H9	108.165

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

using model chemistry: wB97X-D/3-21G*

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	-0.501
2	C	-0.352
3	C	-0.352
4	H	0.227
5	H	0.227
6	H	0.188
7	H	0.188
8	H	0.188
9	H	0.188

<r²>	53.425
(<r²>)^1/2	7.309

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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