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	hartrees
Energy at 0K	-192.175798
Energy at 298.15K	-192.168140
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3895	3755	91.67
2	A	3839	3702	44.38
3	A	3655	3524	435.69
4	A	3150	3037	18.13
5	A	3091	2980	42.56
6	A	3027	2919	57.69
7	A	1632	1574	60.11
8	A	1511	1457	6.22
9	A	1503	1449	4.60
10	A	1484	1431	5.61
11	A	1358	1310	28.79
12	A	1176	1134	0.22
13	A	1075	1036	21.84
14	A	1042	1005	130.49
15	A	682	657	96.94
16	A	413	398	72.29
17	A	306	295	186.96
18	A	194	187	2.06
19	A	129	124	143.25
20	A	74	72	22.52
21	A	55	53	13.65

Atom	x (Å)	y (Å)	z (Å)
H1	1.180	0.123	-0.033
O2	2.087	-0.207	0.107
O3	-0.631	0.643	-0.101
H4	2.594	0.071	-0.664
H5	-0.822	1.286	0.593
C6	-1.547	-0.455	0.003
H7	-2.582	-0.123	-0.142
H8	-1.284	-1.154	-0.792
H9	-1.454	-0.967	0.968

	H1	O2	O3	H4	H5	C6	H7	H8	H9
H1		0.9752	1.8849	1.5495	2.3990	2.7869	3.7707	2.8766	3.0209
O2	0.9752		2.8548	0.9640	3.3058	3.6433	4.6757	3.6152	3.7224
O3	1.8849	2.8548		3.3232	0.9656	1.4333	2.0961	2.0328	2.1008
H4	1.5495	0.9640	3.3232		3.8379	4.2270	5.2056	4.0692	4.4865
H5	2.3990	3.3058	0.9656	3.8379		1.9757	2.3708	2.8436	2.3703
C6	2.7869	3.6433	1.4333	4.2270	1.9757		1.0964	1.0911	1.0964
H7	3.7707	4.6757	2.0961	5.2056	2.3708	1.0964		1.7801	1.7933
H8	2.8766	3.6152	2.0328	4.0692	2.8436	1.0911	1.7801		1.7785
H9	3.0209	3.7224	2.1008	4.4865	2.3703	1.0964	1.7933	1.7785

Number	Element	Mulliken
1	H	0.427
2	O	-0.769
3	O	-0.590
4	H	0.345
5	H	0.361
6	C	-0.214
7	H	0.137
8	H	0.159
9	H	0.144

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

using model chemistry: B3LYP_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	Total
	-2.812	0.952	-0.397	2.996
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: B3LYP_cp/6-31+G**

States and conformations

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