MolCalcThe Molecule Calculator

1,1-difluoroethene

Molecule
Thermodynamics
Molecular Orbitals
Vibrational Frequencies
Polarity and Solvation

Molecule Viewer

Thermodynamics at 298.15 K and standard pressure

Enthalpy
Property	Value	Unit
Translational	6.20	kJ mol^-1
Rotational	3.72	kJ mol^-1
Vibrational	100.82	kJ mol^-1
Total (Trans. + Rot. + Vib.)	110.74	kJ mol^-1

Heat Capacity at Constant Pressure
Property	Value	Unit
Translational	20.79	J mol^-1 K^-1
Rotational	12.47	J mol^-1 K^-1
Vibrational	24.66	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	57.92	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	160.62	J mol^-1 K^-1
Rotational	99.71	J mol^-1 K^-1
Vibrational	10.88	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	271.20	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	-332.92	kJ mol^-1

Molecular Orbitals

1 -707.27 eV View
2 -707.27 eV View
3 -304.61 eV View
4 -299.88 eV View
5 -43.11 eV View
6 -41.13 eV View
7 -26.82 eV View
8 -20.39 eV View
9 -17.58 eV View
10 -17.46 eV View
11 -16.81 eV View
12 -14.14 eV View
13 -13.83 eV View
14 -13.13 eV View
15 -13.13 eV View
16 -8.14 eV View
17 8.36 eV View
18 14.34 eV View
19 16.25 eV View
20 18.96 eV View
21 24.10 eV View
22 26.42 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 448.33 cm^-1 View
2 516.78 cm^-1 View
3 574.38 cm^-1 View
4 641.43 cm^-1 View
5 951.37 cm^-1 View
6 983.18 cm^-1 View
7 1122.13 cm^-1 View
8 1335.73 cm^-1 View
9 1629.66 cm^-1 View
10 1939.02 cm^-1 View
11 3148.82 cm^-1 View
12 3165.91 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