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	hartrees
Energy at 0K	-191.589307
Energy at 298.15K	-191.581743
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3826	3681
2	A	3735	3593
3	A	3683	3543
4	A	3165	3045
5	A	3118	3000
6	A	3046	2930
7	A	1774	1707
8	A	1549	1490
9	A	1542	1483
10	A	1514	1457
11	A	1411	1358
12	A	1192	1147
13	A	1094	1052
14	A	1059	1019
15	A	633	609
16	A	484	465
17	A	287	276
18	A	197	190
19	A	134	129
20	A	93	89
21	A	67	65

Atom	x (Å)	y (Å)	z (Å)
H1	-1.117	0.332	0.105
O2	-1.950	-0.124	-0.121
O3	0.794	0.756	0.133
H4	-2.400	-0.235	0.731
H5	0.866	1.190	-0.735
C6	1.282	-0.588	-0.017
H7	2.320	-0.598	-0.376
H8	1.248	-1.037	0.979
H9	0.645	-1.175	-0.693

	H1	O2	O3	H4	H5	C6	H7	H8	H9
H1		0.9764	1.9576	1.5358	2.3184	2.5720	3.5935	2.8692	2.4523
O2	0.9764		2.8930	0.9703	3.1677	3.2667	4.3045	3.5034	2.8580
O3	1.9576	2.8930		3.3968	0.9736	1.4377	2.1032	2.0342	2.1055
H4	1.5358	0.9703	3.3968		3.8530	3.7735	4.8622	3.7432	3.4910
H5	2.3184	3.1677	0.9736	3.8530		1.9618	2.3324	2.8366	2.3752
C6	2.5720	3.2667	1.4377	3.7735	1.9618		1.0991	1.0940	1.0982
H7	3.5935	4.3045	2.1032	4.8622	2.3324	1.0991		1.7838	1.7998
H8	2.8692	3.5034	2.0342	3.7432	2.8366	1.0940	1.7838		1.7833
H9	2.4523	2.8580	2.1055	3.4910	2.3752	1.0982	1.7998	1.7833

Number	Element	Mulliken
1	H	0.478
2	O	-0.924
3	O	-0.750
4	H	0.423
5	H	0.448
6	C	-0.192
7	H	0.158
8	H	0.181
9	H	0.179

All results from a given calculation for H₂OCH₃OH (water methanol dimer)

using model chemistry: CCSD(T)_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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	x	y	z	Total
	1.905	-0.229	0.285	1.940
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>	86.498
(<r²>)^1/2	9.300

All results from a given calculation for H2OCH3OH (water methanol dimer)

using model chemistry: CCSD(T)_cp/6-31G*

States and conformations

All results from a given calculation for H₂OCH₃OH (water methanol dimer)