MolCalcThe Molecule Calculator

Ethane

Molecule
Thermodynamics
Molecular Orbitals
Vibrational Frequencies
Polarity and Solvation

Molecule Viewer

Molecular Orbitals

1 -300.31 eV View
2 -300.30 eV View
3 -26.79 eV View
4 -21.93 eV View
5 -15.50 eV View
6 -15.50 eV View
7 -13.13 eV View
8 -12.29 eV View
9 -12.29 eV View
10 17.28 eV View
11 17.28 eV View
12 19.66 eV View
13 19.88 eV View
14 20.96 eV View
15 21.29 eV View
16 21.29 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 235.64 cm^-1 View
2 879.89 cm^-1 View
3 879.93 cm^-1 View
4 1120.39 cm^-1 View
5 1120.41 cm^-1 View
6 1138.29 cm^-1 View
7 1359.66 cm^-1 View
8 1408.41 cm^-1 View
9 1408.51 cm^-1 View
10 1413.76 cm^-1 View
11 1413.88 cm^-1 View
12 1444.49 cm^-1 View
13 3075.91 cm^-1 View
14 3076.01 cm^-1 View
15 3089.15 cm^-1 View
16 3089.25 cm^-1 View
17 3184.40 cm^-1 View
18 3186.02 cm^-1 View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	8.07	kJ mol^-1
Polar Solvation Energy	-0.31	kJ mol^-1
Nonpolar Solvation Energy	8.36	kJ mol^-1

Surface Area	57.72	Å²
Charge of Molecule	0
Dipole	0.00	Debye