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	hartrees
Energy at 0K	-230.707242
Energy at 298.15K	-230.698429
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3876	3655	105.82
2	A	3706	3494	230.85
3	A	3242	3057	10.73
4	A	3225	3041	20.49
5	A	3150	2971	13.65
6	A	3143	2964	82.40
7	A	3077	2901	45.41
8	A	3069	2895	39.29
9	A	1765	1665	73.47
10	A	1578	1488	0.96
11	A	1563	1474	11.90
12	A	1558	1469	13.10
13	A	1547	1459	0.07
14	A	1541	1453	0.63
15	A	1509	1423	4.87
16	A	1301	1227	3.84
17	A	1231	1161	45.92
18	A	1226	1156	54.41
19	A	1193	1125	0.03
20	A	1145	1080	39.54
21	A	960	906	46.33
22	A	652	615	183.31
23	A	429	404	5.20
24	A	326	308	89.93
25	A	264	249	26.33
26	A	210	198	0.50
27	A	171	162	18.41
28	A	162	153	107.97
29	A	89	84	11.40
30	A	24	23	4.13

Atom	x (Å)	y (Å)	z (Å)
H1	1.533	-0.367	0.077
O2	2.493	-0.230	0.138
O3	-0.426	-0.101	-0.214
C4	-0.675	1.283	0.034
C5	-1.534	-0.950	0.065
H6	2.815	-0.373	-0.762
H7	-1.394	1.438	0.847
H8	0.277	1.733	0.317
H9	-1.053	1.789	-0.862
H10	-1.216	-1.963	-0.175
H11	-1.827	-0.905	1.122
H12	-2.412	-0.696	-0.544

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9714	1.9987	2.7563	3.1226	1.5317	3.5238	2.4580	3.4953	3.1890	3.5604	4.0071
O2	0.9714		2.9434	3.5123	4.0918	0.9661	4.2889	2.9658	4.2016	4.1056	4.4822	4.9738
O3	1.9987	2.9434		1.4277	1.4236	3.2982	2.1053	2.0347	2.0940	2.0228	2.0966	2.0988
C4	2.7563	3.5123	1.4277		2.3926	3.9436	1.0962	1.0904	1.0966	3.2970	2.7014	2.6956
C5	3.1226	4.0918	1.4236	2.3926		4.4646	2.5169	3.2468	2.9315	1.0886	1.0977	1.0978
H6	1.5317	0.9661	3.2982	3.9436	4.4646		4.8560	3.4693	4.4322	4.3727	5.0381	5.2411
H7	3.5238	4.2889	2.1053	1.0962	2.5169	4.8560		1.7775	1.7776	3.5559	2.3989	2.7434
H8	2.4580	2.9658	2.0347	1.0904	3.2468	3.4693	1.7775		1.7785	4.0161	3.4691	3.7243
H9	3.4953	4.2016	2.0940	1.0966	2.9315	4.4322	1.7776	1.7785		3.8179	3.4342	2.8501
H10	3.1890	4.1056	2.0228	3.2970	1.0886	4.3727	3.5559	4.0161	3.8179		1.7819	1.7808
H11	3.5604	4.4822	2.0966	2.7014	1.0977	5.0381	2.3989	3.4691	3.4342	1.7819		1.7777
H12	4.0071	4.9738	2.0988	2.6956	1.0978	5.2411	2.7434	3.7243	2.8501	1.7808	1.7777

All results from a given calculation for H₂OCH₃OCH₃ (water dimethylether dimer)

using model chemistry: MP2_cp/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for H2OCH3OCH3 (water dimethylether dimer)

using model chemistry: MP2_cp/6-31G*

States and conformations

All results from a given calculation for H₂OCH₃OCH₃ (water dimethylether dimer)