Molecule SMILES: CCCCCCCCC
Rotational constants A, B, C (GHz): 9.34438, 0.34396, 0.33796
Dipole moment mu (Debye): 0.0602
Isotropic polarizability alpha (Bohr^3): 102.1
HOMO energy (Hartree): -0.2924
LUMO energy (Hartree): 0.09
HOMO-LUMO gap (Hartree): 0.3824
Electronic spatial extent r2 (Bohr^2): 3374.7532
Zero-point vibrational energy (Hartree): 0.273794
Internal energy at 0 K (Hartree): -354.783239
Internal energy at 298.15 K (Hartree): -354.770786
Enthalpy at 298.15 K (Hartree): -354.769842
Free energy at 298.15 K (Hartree): -354.822325
Heat capacity at 298.15 K (cal/mol K): 43.999
Atomization energy at 0 K (kcal/mol): -2608.448863979
Atomization energy at 298.15 K (kcal/mol): -2626.4081715591
Atomization enthalpy at 298.15 K (kcal/mol): -2643.007039627
Atomization free energy at 298.15 K (kcal/mol): -2417.121997388