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	hartrees
Energy at 0K	-154.175098
Energy at 298.15K	-154.181773
HF Energy	-154.175098
Nuclear repulsion energy	82.222301

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	3131	3021	27.46	88.89	0.32	0.48
2	A₁	2991	2886	48.75	185.91	0.04	0.07
3	A₁	1588	1533	0.60	33.01	0.75	0.86
4	A₁	1528	1474	0.42	13.16	0.68	0.81
5	A₁	1247	1204	0.00	5.51	0.68	0.81
6	A₁	884	853	19.30	11.27	0.34	0.50
7	A₁	401	387	3.84	0.67	0.07	0.13
8	A₂	3021	2915	0.00	17.19	0.75	0.86
9	A₂	1547	1492	0.00	52.47	0.75	0.86
10	A₂	1148	1108	0.00	12.51	0.75	0.86
11	A₂	247	239	0.00	0.24	0.75	0.86
12	B₁	3020	2914	151.91	89.93	0.75	0.86
13	B₁	1554	1500	14.39	1.19	0.75	0.86
14	B₁	1181	1140	1.93	4.72	0.75	0.86
15	B₁	244	235	8.02	0.04	0.75	0.86
16	B₂	3128	3018	26.91	72.94	0.75	0.86
17	B₂	2978	2874	46.07	2.88	0.75	0.86
18	B₂	1570	1515	16.50	5.35	0.75	0.86
19	B₂	1485	1433	9.29	11.26	0.75	0.86
20	B₂	1154	1113	42.08	1.54	0.75	0.86
21	B₂	1082	1044	53.97	4.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.614
C2	0.000	1.199	-0.207
C3	0.000	-1.199	-0.207
H4	0.000	2.043	0.486
H5	0.000	-2.043	0.486
H6	0.892	1.260	-0.850
H7	-0.892	1.260	-0.850
H8	-0.892	-1.260	-0.850
H9	0.892	-1.260	-0.850

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4532	1.4532	2.0473	2.0473	2.1276	2.1276	2.1276	2.1276
C2	1.4532		2.3978	1.0921	3.3153	1.1013	1.1013	2.6932	2.6932
C3	1.4532	2.3978		3.3153	1.0921	2.6932	2.6932	1.1013	1.1013
H4	2.0473	1.0921	3.3153		4.0865	1.7873	1.7873	3.6728	3.6728
H5	2.0473	3.3153	1.0921	4.0865		3.6728	3.6728	1.7873	1.7873
H6	2.1276	1.1013	2.6932	1.7873	3.6728		1.7835	3.0867	2.5192
H7	2.1276	1.1013	2.6932	1.7873	3.6728	1.7835		2.5192	3.0867
H8	2.1276	2.6932	1.1013	3.6728	1.7873	3.0867	2.5192		1.7835
H9	2.1276	2.6932	1.1013	3.6728	1.7873	2.5192	3.0867	1.7835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.227	O1	C2	H6	112.062
O1	C2	H7	112.062	O1	C3	H5	106.227
O1	C3	H8	112.062	O1	C3	H9	112.062
C2	O1	C3	111.183	H4	C2	H6	109.142
H4	C2	H7	109.142	H5	C3	H8	109.142
H5	C3	H9	109.142	H6	C2	H7	108.140
H8	C3	H9	108.140

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

using model chemistry: B3LYPultrafine/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	-0.476
2	C	-0.309
3	C	-0.309
4	H	0.205
5	H	0.205
6	H	0.171
7	H	0.171
8	H	0.171
9	H	0.171

<r²>	54.025
(<r²>)^1/2	7.350

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

using model chemistry: B3LYPultrafine/3-21G

States and conformations

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