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	hartrees
Energy at 0K	-154.952512
Energy at 298.15K	-154.959144
HF Energy	-154.952512
Nuclear repulsion energy	82.989127

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	3049	3025	31.05	100.38	0.30	0.46
2	A₁	2900	2877	69.88	207.48	0.03	0.06
3	A₁	1510	1498	0.11	22.33	0.74	0.85
4	A₁	1475	1463	0.01	17.59	0.73	0.84
5	A₁	1239	1229	3.37	4.17	0.67	0.80
6	A₁	906	899	31.71	8.04	0.42	0.59
7	A₁	404	401	2.33	0.69	0.05	0.10
8	A₂	2927	2904	0.00	20.59	0.75	0.86
9	A₂	1467	1456	0.00	44.04	0.75	0.86
10	A₂	1137	1128	0.00	10.27	0.75	0.86
11	A₂	227	225	0.00	0.32	0.75	0.86
12	B₁	2924	2900	175.51	101.21	0.75	0.86
13	B₁	1476	1464	7.51	0.57	0.75	0.86
14	B₁	1172	1163	5.30	4.08	0.75	0.86
15	B₁	249	247	5.71	0.07	0.75	0.86
16	B₂	3048	3023	38.59	77.56	0.75	0.86
17	B₂	2883	2860	63.69	4.24	0.75	0.86
18	B₂	1488	1476	13.50	4.49	0.75	0.86
19	B₂	1443	1431	13.95	11.36	0.75	0.86
20	B₂	1156	1146	67.18	0.87	0.75	0.86
21	B₂	1088	1079	67.57	4.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.599
C2	0.000	1.182	-0.199
C3	0.000	-1.182	-0.199
H4	0.000	2.037	0.494
H5	0.000	-2.037	0.494
H6	0.899	1.244	-0.849
H7	-0.899	1.244	-0.849
H8	-0.899	-1.244	-0.849
H9	0.899	-1.244	-0.849

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4261	1.4261	2.0395	2.0395	2.1103	2.1103	2.1103	2.1103
C2	1.4261		2.3635	1.1008	3.2923	1.1113	1.1113	2.6675	2.6675
C3	1.4261	2.3635		3.2923	1.1008	2.6675	2.6675	1.1113	1.1113
H4	2.0395	1.1008	3.2923		4.0736	1.8002	1.8002	3.6574	3.6574
H5	2.0395	3.2923	1.1008	4.0736		3.6574	3.6574	1.8002	1.8002
H6	2.1103	1.1113	2.6675	1.8002	3.6574		1.7988	3.0703	2.4882
H7	2.1103	1.1113	2.6675	1.8002	3.6574	1.7988		2.4882	3.0703
H8	2.1103	2.6675	1.1113	3.6574	1.8002	3.0703	2.4882		1.7988
H9	2.1103	2.6675	1.1113	3.6574	1.8002	2.4882	3.0703	1.7988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.925	O1	C2	H6	111.948
O1	C2	H7	111.948	O1	C3	H5	106.925
O1	C3	H8	111.948	O1	C3	H9	111.948
C2	O1	C3	111.922	H4	C2	H6	108.941
H4	C2	H7	108.941	H5	C3	H8	108.941
H5	C3	H9	108.941	H6	C2	H7	108.067
H8	C3	H9	108.067

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

using model chemistry: BLYP/6-31G*

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	-0.405
2	C	-0.173
3	C	-0.173
4	H	0.143
5	H	0.143
6	H	0.116
7	H	0.116
8	H	0.116
9	H	0.116

<r²>	53.352
(<r²>)^1/2	7.304

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

using model chemistry: BLYP/6-31G*

States and conformations

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