Molecule SMILES: CC1CCC1C
Rotational constants A, B, C (GHz): 4.34218, 3.60938, 2.38799
Dipole moment mu (Debye): 0.1206
Isotropic polarizability alpha (Bohr^3): 63.28
HOMO energy (Hartree): -0.2822
LUMO energy (Hartree): 0.0842
HOMO-LUMO gap (Hartree): 0.3663
Electronic spatial extent r2 (Bohr^2): 624.4665
Zero-point vibrational energy (Hartree): 0.166462
Internal energy at 0 K (Hartree): -235.696852
Internal energy at 298.15 K (Hartree): -235.689979
Enthalpy at 298.15 K (Hartree): -235.689035
Free energy at 298.15 K (Hartree): -235.726894
Heat capacity at 298.15 K (cal/mol K): 25.85
Atomization energy at 0 K (kcal/mol): -1639.645876496
Atomization energy at 298.15 K (kcal/mol): -1651.330721585
Atomization enthalpy at 298.15 K (kcal/mol): -1661.408516125
Atomization free energy at 298.15 K (kcal/mol): -1523.509020812