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	hartrees
Energy at 0K	-230.802974
Energy at 298.15K
Nuclear repulsion energy

Atom	x (Å)	y (Å)	z (Å)
H1	-1.405	-0.001	-0.128
O2	-2.332	-0.002	0.170
O3	0.434	-0.000	-0.421
C4	1.035	-1.179	0.112
C5	1.031	1.180	0.112
H6	-2.862	0.003	-0.634
H7	0.919	-1.214	1.198
H8	0.521	-2.024	-0.337
H9	2.097	-1.213	-0.143
H10	0.515	2.024	-0.336
H11	0.916	1.214	1.198
H12	2.093	1.218	-0.144

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9737	1.8617	2.7193	2.7177	1.5429	2.9369	2.8011	3.7055	2.7979	2.9359	3.7043
O2	0.9737		2.8280	3.5669	3.5652	0.9627	3.6184	3.5339	4.6023	3.5303	3.6172	4.6009
O3	1.8617	2.8280		1.4265	1.4264	3.3025	2.0811	2.0277	2.0775	2.0275	2.0812	2.0774
C4	2.7193	3.5669	1.4265		2.3591	4.1397	1.0933	1.0860	1.0930	3.2755	2.6312	2.6330
C5	2.7177	3.5652	1.4264	2.3591		4.1350	2.6312	3.2756	2.6325	1.0860	1.0933	1.0930
H6	1.5429	0.9627	3.3025	4.1397	4.1350		4.3739	3.9555	5.1296	3.9465	4.3699	5.1255
H7	2.9369	3.6184	2.0811	1.0933	2.6312	4.3739		1.7811	1.7855	3.6055	2.4280	3.0158
H8	2.8011	3.5339	2.0277	1.0860	3.2756	3.9555	1.7811		1.7826	4.0481	3.6058	3.6086
H9	3.7055	4.6023	2.0775	1.0930	2.6325	5.1296	1.7855	1.7826		3.6084	3.0149	2.4318
H10	2.7979	3.5303	2.0275	3.2755	1.0860	3.9465	3.6055	4.0481	3.6084		1.7809	1.7825
H11	2.9359	3.6172	2.0812	2.6312	1.0933	4.3699	2.4280	3.6058	3.0149	1.7809		1.7855
H12	3.7043	4.6009	2.0774	2.6330	1.0930	5.1255	3.0158	3.6086	2.4318	1.7825	1.7855

Number	Element	Mulliken
1	H	0.440
2	O	-0.786
3	O	-0.494
4	C	-0.123
5	C	-0.120
6	H	0.356
7	H	0.101
8	H	0.149
9	H	0.119
10	H	0.135
11	H	0.114
12	H	0.109

	x	y	z	Total
	-3.067	-0.002	-1.173	3.284
CHELPG
AIM
ESP

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

using model chemistry: MP2_cp/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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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
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: MP2_cp/6-31+G**

States and conformations

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