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	hartrees
Energy at 0K	-191.851427
Energy at 298.15K	-191.843616
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3957	3759	105.52
2	A	3899	3704	53.76
3	A	3729	3543	387.27
4	A	3201	3041	11.37
5	A	3152	2994	27.65
6	A	3070	2917	43.18
7	A	1661	1578	43.17
8	A	1533	1457	6.31
9	A	1524	1447	4.37
10	A	1497	1422	3.12
11	A	1372	1303	23.31
12	A	1193	1134	0.41
13	A	1089	1035	1.64
14	A	1062	1009	126.08
15	A	662	629	89.33
16	A	380	361	46.11
17	A	312	296	153.17
18	A	192	182	4.83
19	A	120	114	113.61
20	A	51	48	7.93
21	A	42	40	23.20

Atom	x (Å)	y (Å)	z (Å)
H1	1.143	0.222	-0.020
O2	2.002	-0.208	0.097
O3	-0.686	0.704	-0.096
H4	2.556	0.172	-0.585
H5	-0.978	1.285	0.609
C6	-1.414	-0.519	-0.003
H7	-2.480	-0.356	-0.151
H8	-1.040	-1.160	-0.795
H9	-1.247	-1.012	0.953

	H1	O2	O3	H4	H5	C6	H7	H8	H9
H1		0.9678	1.8923	1.5234	2.4543	2.6617	3.6711	2.6969	2.8604
O2	0.9678		2.8446	0.9576	3.3723	3.4314	4.4916	3.3098	3.4552
O3	1.8923	2.8446		3.3216	0.9592	1.4262	2.0848	2.0215	2.0881
H4	1.5234	0.9576	3.3216		3.8933	4.0717	5.0828	3.8408	4.2706
H5	2.4543	3.3723	0.9592	3.8933		1.9545	2.3510	2.8198	2.3385
C6	2.6617	3.4314	1.4262	4.0717	1.9545		1.0891	1.0844	1.0892
H7	3.6711	4.4916	2.0848	5.0828	2.3510	1.0891		1.7704	1.7810
H8	2.6969	3.3098	2.0215	3.8408	2.8198	1.0844	1.7704		1.7664
H9	2.8604	3.4552	2.0881	4.2706	2.3385	1.0892	1.7810	1.7664

Number	Element	Mulliken
1	H	0.312
2	O	-0.436
3	O	-0.633
4	H	0.136
5	H	0.140
6	C	0.412
7	H	0.017
8	H	0.026
9	H	0.027

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

using model chemistry: MP2_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
	-2.419	0.950	-0.106	2.601
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 H2OCH3OH (water methanol dimer)

using model chemistry: MP2_cp/6-311+G(3df,2pd)

States and conformations

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