Molecule SMILES: CCCCCCCC
Rotational constants A, B, C (GHz): 10.72567, 0.48609, 0.47592
Dipole moment mu (Debye): 0
Isotropic polarizability alpha (Bohr^3): 90.68
HOMO energy (Hartree): -0.2954
LUMO energy (Hartree): 0.0904
HOMO-LUMO gap (Hartree): 0.3858
Electronic spatial extent r2 (Bohr^2): 2445.4419
Zero-point vibrational energy (Hartree): 0.24536
Internal energy at 0 K (Hartree): -315.494806
Internal energy at 298.15 K (Hartree): -315.483695
Enthalpy at 298.15 K (Hartree): -315.48275
Free energy at 298.15 K (Hartree): -315.531757
Heat capacity at 298.15 K (cal/mol K): 39.147
Atomization energy at 0 K (kcal/mol): -2331.645231444
Atomization energy at 298.15 K (kcal/mol): -2347.7803703611
Atomization enthalpy at 298.15 K (kcal/mol): -2362.600250414
Atomization free energy at 298.15 K (kcal/mol): -2161.4767133151