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	hartrees
Energy at 0K	-155.027266
Energy at 298.15K	-155.033914
Nuclear repulsion energy	84.174299

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3118	2998	23.43
2	A₁	2974	2860	62.48
3	A₁	1511	1453	2.92
4	A₁	1482	1425	0.01
5	A₁	1265	1217	5.92
6	A₁	961	925	35.49
7	A₁	406	391	2.38
8	A₂	3016	2901	0.00
9	A₂	1474	1418	0.00
10	A₂	1161	1116	0.00
11	A₂	208	200	0.00
12	B₁	3010	2895	137.66
13	B₁	1483	1426	13.20
14	B₁	1192	1146	7.03
15	B₁	237	228	5.29
16	B₂	3116	2997	30.54
17	B₂	2962	2849	57.94
18	B₂	1491	1434	13.69
19	B₂	1452	1396	2.64
20	B₂	1209	1163	118.67
21	B₂	1127	1084	26.09

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.588
C2	0.000	1.165	-0.194
C3	0.000	-1.165	-0.194
H4	0.000	2.018	0.484
H5	0.000	-2.018	0.484
H6	0.890	1.223	-0.836
H7	-0.890	1.223	-0.836
H8	-0.890	-1.223	-0.836
H9	0.890	-1.223	-0.836

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4032	1.4032	2.0204	2.0204	2.0774	2.0774	2.0774	2.0774
C2	1.4032		2.3302	1.0896	3.2544	1.0989	1.0989	2.6283	2.6283
C3	1.4032	2.3302		3.2544	1.0896	2.6283	2.6283	1.0989	1.0989
H4	2.0204	1.0896	3.2544		4.0354	1.7797	1.7797	3.6109	3.6109
H5	2.0204	3.2544	1.0896	4.0354		3.6109	3.6109	1.7797	1.7797
H6	2.0774	1.0989	2.6283	1.7797	3.6109		1.7801	3.0253	2.4462
H7	2.0774	1.0989	2.6283	1.7797	3.6109	1.7801		2.4462	3.0253
H8	2.0774	2.6283	1.0989	3.6109	1.7797	3.0253	2.4462		1.7801
H9	2.0774	2.6283	1.0989	3.6109	1.7797	2.4462	3.0253	1.7801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.623	O1	C2	H6	111.674
O1	C2	H7	111.674	O1	C3	H5	107.623
O1	C3	H8	111.674	O1	C3	H9	111.674
C2	O1	C3	112.270	H4	C2	H6	108.813
H4	C2	H7	108.813	H5	C3	H8	108.813
H5	C3	H9	108.813	H6	C2	H7	108.175
H8	C3	H9	108.175

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

using model chemistry: B3PW91/cc-pVTZ

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	-0.268
2	C	-0.063
3	C	-0.063
4	H	0.096
5	H	0.096
6	H	0.051
7	H	0.051
8	H	0.051
9	H	0.051

<r²>	52.246
(<r²>)^1/2	7.228

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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