MolCalcThe Molecule Calculator

Molecule
Thermodynamics
Molecular Orbitals
Vibrational Frequencies
Polarity and Solvation

Molecule Viewer

Molecular Orbitals

1 -1850.37 eV View
2 -163.46 eV View
3 -109.64 eV View
4 -109.61 eV View
5 -109.56 eV View
6 -17.73 eV View
7 -11.66 eV View
8 -7.78 eV View
9 2.67 eV View
10 11.17 eV View
11 14.62 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 899.36 cm^-1 View
2 1933.34 cm^-1 View
3 1942.58 cm^-1 View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	0.00	kJ mol^-1
Polar Solvation Energy	0.00	kJ mol^-1
Nonpolar Solvation Energy	0.00	kJ mol^-1

Surface Area		Å²
Charge of Molecule	0
Dipole	0.00	Debye