Molecule SMILES: C1CC2CCCCCC12
Rotational constants A, B, C (GHz): 2.63409, 1.38753, 1.01153
Dipole moment mu (Debye): 0.1495
Isotropic polarizability alpha (Bohr^3): 91.8
HOMO energy (Hartree): -0.2753
LUMO energy (Hartree): 0.0798
HOMO-LUMO gap (Hartree): 0.355
Electronic spatial extent r2 (Bohr^2): 1281.985
Zero-point vibrational energy (Hartree): 0.232866
Internal energy at 0 K (Hartree): -352.370243
Internal energy at 298.15 K (Hartree): -352.361826
Enthalpy at 298.15 K (Hartree): -352.360882
Free energy at 298.15 K (Hartree): -352.403296
Heat capacity at 298.15 K (cal/mol K): 34.2
Atomization energy at 0 K (kcal/mol): -2349.9753968431
Atomization energy at 298.15 K (kcal/mol): -2366.9131197711
Atomization enthalpy at 298.15 K (kcal/mol): -2381.140003819
Atomization free energy at 298.15 K (kcal/mol): -2181.6046919991