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	hartrees
Energy at 0K	-191.633835
Energy at 298.15K	-191.626147
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3971	3735	120.90
2	A	3891	3660	48.00
3	A	3742	3520	357.75
4	A	3263	3069	15.15
5	A	3209	3019	34.93
6	A	3121	2935	48.82
7	A	1658	1559	62.87
8	A	1560	1467	4.66
9	A	1550	1458	3.39
10	A	1522	1432	6.71
11	A	1381	1299	26.70
12	A	1202	1130	0.65
13	A	1091	1026	21.76
14	A	1061	998	127.43
15	A	692	650	125.49
16	A	409	385	70.25
17	A	318	299	179.33
18	A	200	188	3.21
19	A	130	122	149.54
20	A	75	71	16.22
21	A	51	48	17.38

Atom	x (Å)	y (Å)	z (Å)
H1	1.173	0.163	-0.012
O2	2.063	-0.212	0.101
O3	-0.651	0.669	-0.094
H4	2.585	0.134	-0.630
H5	-0.923	1.310	0.574
C6	-1.502	-0.485	-0.001
H7	-2.540	-0.221	-0.204
H8	-1.153	-1.177	-0.760
H9	-1.423	-0.958	0.977

	H1	O2	O3	H4	H5	C6	H7	H8	H9
H1		0.9719	1.8949	1.5411	2.4604	2.7529	3.7381	2.7868	2.9958
O2	0.9719		2.8598	0.9625	3.3846	3.5771	4.6131	3.4661	3.6708
O3	1.8949	2.8598		3.3232	0.9653	1.4364	2.0907	2.0252	2.0949
H4	1.5411	0.9625	3.3232		3.8908	4.1810	5.1546	3.9625	4.4536
H5	2.4604	3.3846	0.9653	3.8908		1.9717	2.3586	2.8316	2.3570
C6	2.7529	3.5771	1.4364	4.1810	1.9717		1.0899	1.0850	1.0899
H7	3.7381	4.6131	2.0907	5.1546	2.3586	1.0899		1.7745	1.7852
H8	2.7868	3.4661	2.0252	3.9625	2.8316	1.0850	1.7745		1.7720
H9	2.9958	3.6708	2.0949	4.4536	2.3570	1.0899	1.7852	1.7720

Number	Element	Mulliken
1	H	0.453
2	O	-0.804
3	O	-0.664
4	H	0.357
5	H	0.372
6	C	-0.099
7	H	0.118
8	H	0.143
9	H	0.124

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

using model chemistry: MP2_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
	-2.872	1.049	-0.324	3.074
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/6-31+G**

States and conformations

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