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	hartrees
Energy at 0K	-154.996052
Energy at 298.15K	-155.002729
HF Energy	-154.996052
Nuclear repulsion energy	84.098191

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	3165	3013	21.28	103.02	0.36	0.53
2	A₁	3011	2866	69.07	256.31	0.02	0.05
3	A₁	1524	1450	3.13	10.87	0.72	0.84
4	A₁	1496	1424	0.46	7.87	0.73	0.84
5	A₁	1274	1212	5.57	1.41	0.63	0.77
6	A₁	973	927	41.20	8.00	0.35	0.52
7	A₁	412	392	2.59	0.79	0.10	0.18
8	A₂	3064	2916	0.00	20.46	0.75	0.86
9	A₂	1491	1419	0.00	24.48	0.75	0.86
10	A₂	1169	1113	0.00	4.21	0.75	0.86
11	A₂	213	203	0.00	0.35	0.75	0.86
12	B₁	3057	2910	135.74	120.02	0.75	0.86
13	B₁	1501	1429	17.10	0.01	0.75	0.86
14	B₁	1200	1142	7.20	0.45	0.75	0.86
15	B₁	250	238	7.39	0.05	0.75	0.86
16	B₂	3164	3012	29.55	75.17	0.75	0.86
17	B₂	2999	2855	66.01	1.94	0.75	0.86
18	B₂	1504	1432	15.96	1.72	0.75	0.86
19	B₂	1468	1397	2.08	6.59	0.75	0.86
20	B₂	1232	1173	127.09	0.47	0.75	0.86
21	B₂	1138	1083	19.75	3.56	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.586
C2	0.000	1.167	-0.194
C3	0.000	-1.167	-0.194
H4	0.000	2.017	0.490
H5	0.000	-2.017	0.490
H6	0.893	1.224	-0.835
H7	-0.893	1.224	-0.835
H8	-0.893	-1.224	-0.835
H9	0.893	-1.224	-0.835

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4044	1.4044	2.0189	2.0189	2.0773	2.0773	2.0773	2.0773
C2	1.4044		2.3348	1.0908	3.2568	1.0999	1.0999	2.6320	2.6320
C3	1.4044	2.3348		3.2568	1.0908	2.6320	2.6320	1.0999	1.0999
H4	2.0189	1.0908	3.2568		4.0333	1.7830	1.7830	3.6134	3.6134
H5	2.0189	3.2568	1.0908	4.0333		3.6134	3.6134	1.7830	1.7830
H6	2.0773	1.0999	2.6320	1.7830	3.6134		1.7852	3.0306	2.4490
H7	2.0773	1.0999	2.6320	1.7830	3.6134	1.7852		2.4490	3.0306
H8	2.0773	2.6320	1.0999	3.6134	1.7830	3.0306	2.4490		1.7852
H9	2.0773	2.6320	1.0999	3.6134	1.7830	2.4490	3.0306	1.7852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.354	O1	C2	H6	111.515
O1	C2	H7	111.515	O1	C3	H5	107.354
O1	C3	H8	111.515	O1	C3	H9	111.515
C2	O1	C3	112.447	H4	C2	H6	108.956
H4	C2	H7	108.956	H5	C3	H8	108.956
H5	C3	H9	108.956	H6	C2	H7	108.486
H8	C3	H9	108.486

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

using model chemistry: mPW1PW91/6-31+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	-0.314
2	C	-0.292
3	C	-0.292
4	H	0.167
5	H	0.167
6	H	0.141
7	H	0.141
8	H	0.141
9	H	0.141

<r²>	52.410
(<r²>)^1/2	7.239

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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