MolCalcThe Molecule Calculator

(z)-1,2-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	99.50	kJ mol^-1
Total (Trans. + Rot. + Vib.)	109.42	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	24.06	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	57.32	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	160.62	J mol^-1 K^-1
Rotational	99.77	J mol^-1 K^-1
Vibrational	12.55	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	272.94	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	-305.11	kJ mol^-1

Molecular Orbitals

1 -706.69 eV View
2 -706.69 eV View
3 -302.17 eV View
4 -302.15 eV View
5 -41.68 eV View
6 -41.28 eV View
7 -26.50 eV View
8 -20.42 eV View
9 -18.41 eV View
10 -16.25 eV View
11 -15.62 eV View
12 -14.95 eV View
13 -14.29 eV View
14 -13.00 eV View
15 -11.67 eV View
16 -7.67 eV View
17 8.26 eV View
18 14.27 eV View
19 16.93 eV View
20 18.14 eV View
21 23.68 eV View
22 25.98 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 293.61 cm^-1 View
2 457.61 cm^-1 View
3 760.20 cm^-1 View
4 795.00 cm^-1 View
5 898.97 cm^-1 View
6 1068.58 cm^-1 View
7 1070.62 cm^-1 View
8 1287.60 cm^-1 View
9 1575.12 cm^-1 View
10 1911.90 cm^-1 View
11 3032.89 cm^-1 View
12 3052.10 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