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	hartrees
Energy at 0K	-155.093128
Energy at 298.15K	-155.099774
HF Energy	-155.093128
Nuclear repulsion energy	83.848587

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	3109	3008	19.99	107.27	0.27	0.42
2	A₁	2973	2876	67.14	333.11	0.02	0.04
3	A₁	1512	1463	3.48	4.91	0.73	0.84
4	A₁	1486	1438	0.04	3.04	0.71	0.83
5	A₁	1266	1224	6.21	0.42	0.75	0.86
6	A₁	934	904	36.57	8.01	0.33	0.50
7	A₁	409	396	2.49	1.26	0.14	0.25
8	A₂	3009	2912	0.00	21.34	0.75	0.86
9	A₂	1484	1436	0.00	11.90	0.75	0.86
10	A₂	1161	1124	0.00	1.76	0.75	0.86
11	A₂	206	200	0.00	0.20	0.75	0.86
12	B₁	3004	2907	128.96	108.42	0.75	0.86
13	B₁	1492	1444	13.39	0.08	0.75	0.86
14	B₁	1190	1151	7.34	0.00	0.75	0.86
15	B₁	240	232	5.36	0.00	0.75	0.86
16	B₂	3108	3007	30.73	68.24	0.75	0.86
17	B₂	2962	2866	58.27	3.08	0.75	0.86
18	B₂	1496	1448	11.71	1.66	0.75	0.86
19	B₂	1458	1411	2.35	1.42	0.75	0.86
20	B₂	1191	1153	93.00	0.38	0.75	0.86
21	B₂	1115	1079	53.53	1.84	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.587
C2	0.000	1.175	-0.195
C3	0.000	-1.175	-0.195
H4	0.000	2.021	0.490
H5	0.000	-2.021	0.490
H6	0.890	1.232	-0.833
H7	-0.890	1.232	-0.833
H8	-0.890	-1.232	-0.833
H9	0.890	-1.232	-0.833

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4116	1.4116	2.0236	2.0236	2.0802	2.0802	2.0802	2.0802
C2	1.4116		2.3510	1.0881	3.2692	1.0971	1.0971	2.6449	2.6449
C3	1.4116	2.3510		3.2692	1.0881	2.6449	2.6449	1.0971	1.0971
H4	2.0236	1.0881	3.2692		4.0426	1.7794	1.7794	3.6230	3.6230
H5	2.0236	3.2692	1.0881	4.0426		3.6230	3.6230	1.7794	1.7794
H6	2.0802	1.0971	2.6449	1.7794	3.6230		1.7806	3.0398	2.4637
H7	2.0802	1.0971	2.6449	1.7794	3.6230	1.7806		2.4637	3.0398
H8	2.0802	2.6449	1.0971	3.6230	1.7794	3.0398	2.4637		1.7806
H9	2.0802	2.6449	1.0971	3.6230	1.7794	2.4637	3.0398	1.7806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.397	O1	C2	H6	111.413
O1	C2	H7	111.413	O1	C3	H5	107.397
O1	C3	H8	111.413	O1	C3	H9	111.413
C2	O1	C3	112.755	H4	C2	H6	109.040
H4	C2	H7	109.040	H5	C3	H8	109.040
H5	C3	H9	109.040	H6	C2	H7	108.487
H8	C3	H9	108.487

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

using model chemistry: B3LYPultrafine/aug-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	-0.442
2	C	-0.535
3	C	-0.535
4	H	0.260
5	H	0.260
6	H	0.248
7	H	0.248
8	H	0.248
9	H	0.248

<r²>	52.881
(<r²>)^1/2	7.272

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

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