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	hartrees
Energy at 0K	-191.865794
Energy at 298.15K	-191.858000
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3909	3725	107.94
2	A	3850	3668	51.34
3	A	3671	3498	382.02
4	A	3197	3047	11.23
5	A	3150	3002	27.15
6	A	3069	2925	42.33
7	A	1651	1573	43.48
8	A	1534	1461	6.39
9	A	1524	1453	4.32
10	A	1493	1423	2.85
11	A	1370	1306	22.51
12	A	1187	1131	0.40
13	A	1085	1034	5.49
14	A	1050	1001	118.77
15	A	649	618	84.37
16	A	376	358	42.50
17	A	309	295	150.95
18	A	191	182	4.81
19	A	126	120	108.57
20	A	57	54	5.92
21	A	45	43	21.83

Atom	x (Å)	y (Å)	z (Å)
H1	1.135	0.238	-0.027
O2	1.988	-0.209	0.096
O3	-0.691	0.712	-0.096
H4	2.563	0.181	-0.568
H5	-0.988	1.283	0.619
C6	-1.399	-0.528	-0.004
H7	-2.470	-0.381	-0.137
H8	-1.022	-1.155	-0.806
H9	-1.210	-1.025	0.948

	H1	O2	O3	H4	H5	C6	H7	H8	H9
H1		0.9710	1.8875	1.5283	2.4535	2.6469	3.6593	2.6834	2.8360
O2	0.9710		2.8394	0.9605	3.3707	3.4034	4.4676	3.2821	3.4088
O3	1.8875	2.8394		3.3307	0.9621	1.4315	2.0889	2.0253	2.0923
H4	1.5283	0.9605	3.3307		3.9037	4.0642	5.0828	3.8340	4.2412
H5	2.4535	3.3707	0.9621	3.9037		1.9588	2.3527	2.8242	2.3418
C6	2.6469	3.4034	1.4315	4.0642	1.9588		1.0896	1.0852	1.0898
H7	3.6593	4.4676	2.0889	5.0828	2.3527	1.0896		1.7725	1.7831
H8	2.6834	3.2821	2.0253	3.8340	2.8242	1.0852	1.7725		1.7682
H9	2.8360	3.4088	2.0923	4.2412	2.3418	1.0898	1.7831	1.7682

Number	Element	Mulliken
1	H	0.321
2	O	-0.522
3	O	-0.477
4	H	0.192
5	H	0.162
6	C	-0.691
7	H	0.333
8	H	0.344
9	H	0.337

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

using model chemistry: MP2_cp/aug-cc-pVTZ

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
	-2.354	0.940	-0.059	2.536
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/aug-cc-pVTZ

States and conformations

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