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	hartrees
Energy at 0K	-231.268617
Energy at 298.15K	-231.259704
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3796	3758	70.26
2	A	3518	3483	526.93
3	A	3063	3033	13.81
4	A	3063	3032	15.36
5	A	2974	2944	0.09
6	A	2967	2937	93.65
7	A	2921	2892	66.63
8	A	2913	2884	48.16
9	A	1617	1601	35.13
10	A	1460	1446	4.95
11	A	1443	1428	12.97
12	A	1436	1422	16.84
13	A	1431	1416	0.83
14	A	1428	1414	0.11
15	A	1406	1392	0.26
16	A	1225	1213	5.63
17	A	1152	1140	4.30
18	A	1143	1131	73.82
19	A	1121	1110	0.03
20	A	1081	1070	50.87
21	A	909	900	49.56
22	A	654	648	47.33
23	A	402	398	12.13
24	A	361	357	78.32
25	A	238	236	17.81
26	A	198	196	0.08
27	A	156	154	2.68
28	A	110	109	96.36
29	A	46	45	8.19
30	A	42	42	9.17

Atom	x (Å)	y (Å)	z (Å)
H1	1.432	-0.015	-0.089
O2	2.379	-0.008	0.167
O3	-0.422	-0.003	-0.381
C4	-1.040	1.186	0.097
C5	-1.071	-1.174	0.099
H6	2.858	-0.023	-0.675
H7	-1.026	1.228	1.200
H8	-0.470	2.032	-0.303
H9	-2.086	1.252	-0.250
H10	-0.525	-2.035	-0.301
H11	-1.056	-1.215	1.203
H12	-2.119	-1.212	-0.246

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9814	1.8766	2.7543	2.7646	1.5418	3.0407	2.8022	3.7424	2.8210	3.0492	3.7506
O2	0.9814		2.8543	3.6226	3.6426	0.9679	3.7673	3.5359	4.6585	3.5728	3.7858	4.6750
O3	1.8766	2.8543		1.4227	1.4226	3.2930	2.0929	2.0370	2.0883	2.0370	2.0929	2.0883
C4	2.7543	3.6226	1.4227		2.3598	4.1534	1.1042	1.0958	1.1041	3.2865	2.6430	2.6516
C5	2.7646	3.6426	1.4226	2.3598		4.1667	2.6420	3.2864	2.6526	1.0959	1.1043	1.1041
H6	1.5418	0.9679	3.2930	4.1534	4.1667		4.4904	3.9290	5.1233	3.9543	4.5017	5.1351
H7	3.0407	3.7673	2.0929	1.1042	2.6420	4.4904		1.7932	1.7968	3.6265	2.4423	3.0392
H8	2.8022	3.5359	2.0370	1.0958	3.2864	3.9290	1.7932		1.7952	4.0681	3.6265	3.6395
H9	3.7424	4.6585	2.0883	1.1041	2.6526	5.1233	1.7968	1.7952		3.6396	3.0424	2.4640
H10	2.8210	3.5728	2.0370	3.2865	1.0959	3.9543	3.6265	4.0681	3.6396		1.7934	1.7951
H11	3.0492	3.7858	2.0929	2.6430	1.1043	4.5017	2.4423	3.6265	3.0424	1.7934		1.7967
H12	3.7506	4.6750	2.0883	2.6516	1.1041	5.1351	3.0392	3.6395	2.4640	1.7951	1.7967

Number	Element	Mulliken
1	H	0.351
2	O	-0.496
3	O	-0.630
4	C	0.208
5	C	0.208
6	H	0.153
7	H	0.037
8	H	0.038
9	H	0.028
10	H	0.038
11	H	0.037
12	H	0.028

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

using model chemistry: PBEPBE_cp/6-311+G(3df,2pd)

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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	x	y	z	Total
	-2.534	-0.012	-0.911	2.693
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE_cp/6-311+G(3df,2pd)

States and conformations

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