MolCalcThe Molecule Calculator

Methanol

Molecule
Thermodynamics
Molecular Orbitals
Vibrational Frequencies
Polarity and Solvation

Molecule Viewer

Molecular Orbitals

1 -551.17 eV View
2 -301.75 eV View
3 -35.30 eV View
4 -23.88 eV View
5 -17.04 eV View
6 -15.73 eV View
7 -14.31 eV View
8 -11.26 eV View
9 -9.67 eV View
10 16.38 eV View
11 18.06 eV View
12 19.05 eV View
13 19.68 eV View
14 21.12 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 300.76 cm^-1 View
2 988.86 cm^-1 View
3 1021.79 cm^-1 View
4 1163.66 cm^-1 View
5 1361.62 cm^-1 View
6 1365.69 cm^-1 View
7 1366.22 cm^-1 View
8 1407.92 cm^-1 View
9 3035.69 cm^-1 View
10 3068.49 cm^-1 View
11 3141.20 cm^-1 View
12 3894.98 cm^-1 View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	-4.92	kJ mol^-1
Polar Solvation Energy	-10.69	kJ mol^-1
Nonpolar Solvation Energy	5.77	kJ mol^-1

Surface Area	55.15	Å²
Charge of Molecule	0
Dipole	1.68	Debye