MolCalcThe Molecule Calculator

(z)-1,2-dichloroethene

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	90.82	kJ mol^-1
Total (Trans. + Rot. + Vib.)	100.73	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	32.70	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	65.95	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	165.66	J mol^-1 K^-1
Rotational	108.39	J mol^-1 K^-1
Vibrational	22.22	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	296.27	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	16.68	kJ mol^-1

Molecular Orbitals

1 -2820.58 eV View
2 -2820.58 eV View
3 -302.27 eV View
4 -302.24 eV View
5 -281.74 eV View
6 -281.73 eV View
7 -212.16 eV View
8 -212.15 eV View
9 -211.99 eV View
10 -211.99 eV View
11 -211.99 eV View
12 -211.98 eV View
13 -31.13 eV View
14 -28.85 eV View
15 -25.05 eV View
16 -19.61 eV View
17 -17.84 eV View
18 -14.80 eV View
19 -13.60 eV View
20 -13.17 eV View
21 -11.46 eV View
22 -10.82 eV View
23 -10.43 eV View
24 -8.12 eV View
25 7.30 eV View
26 10.47 eV View
27 12.87 eV View
28 16.42 eV View
29 21.73 eV View
30 25.15 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 157.66 cm^-1 View
2 357.74 cm^-1 View
3 529.54 cm^-1 View
4 662.44 cm^-1 View
5 763.76 cm^-1 View
6 796.48 cm^-1 View
7 944.26 cm^-1 View
8 1162.15 cm^-1 View
9 1201.17 cm^-1 View
10 1780.35 cm^-1 View
11 3060.06 cm^-1 View
12 3080.12 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