Molecule SMILES: CCCCCCCCO
Rotational constants A, B, C (GHz): 9.82994, 0.34058, 0.33461
Dipole moment mu (Debye): 1.3703
Isotropic polarizability alpha (Bohr^3): 94.74
HOMO energy (Hartree): -0.2612
LUMO energy (Hartree): 0.0816
HOMO-LUMO gap (Hartree): 0.3427
Electronic spatial extent r2 (Bohr^2): 3286.0203
Zero-point vibrational energy (Hartree): 0.250375
Internal energy at 0 K (Hartree): -390.703268
Internal energy at 298.15 K (Hartree): -390.691026
Enthalpy at 298.15 K (Hartree): -390.690082
Free energy at 298.15 K (Hartree): -390.742218
Heat capacity at 298.15 K (cal/mol K): 42.719
Atomization energy at 0 K (kcal/mol): -2421.933108891
Atomization energy at 298.15 K (kcal/mol): -2438.2470878731
Atomization enthalpy at 298.15 K (kcal/mol): -2453.659963931
Atomization free energy at 298.15 K (kcal/mol): -2243.635839176