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	hartrees
Energy at 0K	-190.354308
Energy at 298.15K	-190.347422
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3538	3505
2	A	3450	3417
3	A	3386	3354
4	A	3119	3089
5	A	3096	3067
6	A	3019	2990
7	A	1781	1764
8	A	1605	1590
9	A	1563	1549
10	A	1492	1478
11	A	1393	1380
12	A	1164	1153
13	A	1073	1063
14	A	942	933
15	A	813	805
16	A	572	567
17	A	310	307
18	A	252	250
19	A	239	237
20	A	204	202
21	A	156	154

Atom	x (Å)	y (Å)	z (Å)
H1	-1.010	0.450	0.117
O2	-1.818	-0.086	-0.122
O3	0.799	0.794	0.147
H4	-2.189	-0.405	0.742
H5	0.850	1.212	-0.757
C6	1.140	-0.654	-0.028
H7	2.013	-0.789	-0.684
H8	1.385	-1.021	0.975
H9	0.263	-1.185	-0.417

	H1	O2	O3	H4	H5	C6	H7	H8	H9
H1		0.9984	1.8420	1.5843	2.1927	2.4216	3.3636	2.9391	2.1395
O2	0.9984		2.7742	0.9933	3.0346	3.0139	3.9350	3.5130	2.3718
O3	1.8420	2.7742		3.2740	0.9970	1.4982	2.1608	2.0798	2.1260
H4	1.5843	0.9933	3.2740		3.7549	3.4259	4.4533	3.6343	2.8216
H5	2.1927	3.0346	0.9970	3.7549		2.0241	2.3148	2.8762	2.4908
C6	2.4216	3.0139	1.4982	3.4259	2.0241		1.0998	1.0960	1.0962
H7	3.3636	3.9350	2.1608	4.4533	2.3148	1.0998		1.7888	1.8135
H8	2.9391	3.5130	2.0798	3.6343	2.8762	1.0960	1.7888		1.7951
H9	2.1395	2.3718	2.1260	2.8216	2.4908	1.0962	1.8135	1.7951

Number	Element	Mulliken
1	H	0.396
2	O	-0.775
3	O	-0.656
4	H	0.345
5	H	0.382
6	C	-0.338
7	H	0.192
8	H	0.221
9	H	0.233

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

using model chemistry: CCSD(T)_cp/3-21G

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
	1.945	-0.754	0.219	2.097
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: CCSD(T)_cp/3-21G

States and conformations

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