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	hartrees
Energy at 0K	-191.053256
Energy at 298.15K	-191.045249
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4161	3739	123.40
2	A	4115	3697	60.90
3	A	4028	3619	199.87
4	A	3323	2986	36.36
5	A	3262	2931	74.55
6	A	3205	2880	55.24
7	A	1853	1665	96.43
8	A	1661	1492	2.93
9	A	1650	1482	2.12
10	A	1636	1470	11.21
11	A	1504	1352	46.66
12	A	1291	1160	3.09
13	A	1171	1052	157.81
14	A	1167	1049	8.46
15	A	597	537	179.51
16	A	397	357	96.53
17	A	284	255	154.73
18	A	176	158	2.63
19	A	117	105	141.48
20	A	46	41	30.40
21	A	31	28	2.24

Atom	x (Å)	y (Å)	z (Å)
H1	1.224	0.191	0.027
O2	2.097	-0.181	0.106
O3	-0.720	0.680	-0.099
H4	2.541	0.048	-0.698
H5	-1.005	1.295	0.561
C6	-1.468	-0.507	0.002
H7	-2.522	-0.327	-0.191
H8	-1.088	-1.186	-0.747
H9	-1.357	-0.969	0.978

	H1	O2	O3	H4	H5	C6	H7	H8	H9
H1		0.9519	2.0082	1.5102	2.5444	2.7814	3.7874	2.7995	2.9849
O2	0.9519		2.9522	0.9467	3.4652	3.5817	4.6302	3.4464	3.6483
O3	2.0082	2.9522		3.3747	0.9470	1.4068	2.0662	2.0087	2.0699
H4	1.5102	0.9467	3.3747		3.9642	4.1076	5.1016	3.8328	4.3630
H5	2.5444	3.4652	0.9470	3.9642		1.9432	2.3450	2.8061	2.3292
C6	2.7814	3.5817	1.4068	4.1076	1.9432		1.0856	1.0800	1.0853
H7	3.7874	4.6302	2.0662	5.1016	2.3450	1.0856		1.7613	1.7702
H8	2.7995	3.4464	2.0087	3.8328	2.8061	1.0800	1.7613		1.7586
H9	2.9849	3.6483	2.0699	4.3630	2.3292	1.0853	1.7702	1.7586

Number	Element	Mulliken
1	H	0.479
2	O	-0.926
3	O	-0.747
4	H	0.423
5	H	0.449
6	C	-0.178
7	H	0.154
8	H	0.186
9	H	0.159

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

using model chemistry: HF_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
	-2.736	0.836	-0.375	2.885
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>	94.544
(<r²>)^1/2	9.723

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

using model chemistry: HF_cp/6-31G*

States and conformations

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