MolCalcThe Molecule Calculator

Methylphosphane

Molecule
Thermodynamics
Molecular Orbitals
Vibrational Frequencies
Polarity and Solvation

Molecule Viewer

Molecular Orbitals

1 -2150.80 eV View
2 -300.73 eV View
3 -199.95 eV View
4 -140.86 eV View
5 -140.84 eV View
6 -140.75 eV View
7 -25.87 eV View
8 -21.40 eV View
9 -15.40 eV View
10 -15.00 eV View
11 -13.20 eV View
12 -12.35 eV View
13 -8.52 eV View
14 11.17 eV View
15 12.48 eV View
16 16.56 eV View
17 18.94 eV View
18 19.33 eV View
19 19.91 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 155.66 cm^-1 View
2 658.94 cm^-1 View
3 721.94 cm^-1 View
4 749.61 cm^-1 View
5 918.96 cm^-1 View
6 939.29 cm^-1 View
7 953.25 cm^-1 View
8 1304.52 cm^-1 View
9 1402.23 cm^-1 View
10 1402.46 cm^-1 View
11 1579.73 cm^-1 View
12 1625.21 cm^-1 View
13 3151.16 cm^-1 View
14 3153.77 cm^-1 View
15 3241.97 cm^-1 View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	-4.53	kJ mol^-1
Polar Solvation Energy	-9.33	kJ mol^-1
Nonpolar Solvation Energy	4.81	kJ mol^-1

Surface Area	75.92	Å²
Charge of Molecule	0
Dipole	1.49	Debye