MolCalc

[ClH-2].[HH].[HH].[HH].[HH].[HH].[HH].[HH].[HH].[HH]

Thermodynamics

Enthalpy
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational272.14kJ mol-1
Total (Trans. + Rot. + Vib.)282.06kJ mol-1
Heat Capacity at Constant Pressure
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational21.21J mol-1 K-1
Total (Trans. + Rot. + Vib.)54.47J mol-1 K-1
Entropy
Translational155.95J mol-1 K-1
Rotational75.82J mol-1 K-1
Vibrational10.63J mol-1 K-1
Total (Trans. + Rot. + Vib.)242.40J mol-1 K-1
Other properties
Heat of Formation-69.39kJ mol-1


 10  0  0  0  0  0  0  0  0  0999 V2000
   -0.0784    0.0384    0.0133 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2506    1.1685   -0.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4609    0.0749   -1.0784 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0046    0.3073    0.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6996   -0.8771   -0.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9121    0.5802   -0.6872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3641    0.8144    0.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5960   -0.8966   -0.5718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0522   -0.6641    1.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1971   -0.1617    0.4278 H   0  0  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1  -2
M  END

Vibrational Frequencies

Molecular Orbitals

Polarity and Solvations