Molecule SMILES: C1OC2CC3OC3C12
Rotational constants A, B, C (GHz): 3.73473, 2.3884, 1.93393
Dipole moment mu (Debye): 2.8013
Isotropic polarizability alpha (Bohr^3): 62.7
HOMO energy (Hartree): -0.2413
LUMO energy (Hartree): 0.081
HOMO-LUMO gap (Hartree): 0.3222
Electronic spatial extent r2 (Bohr^2): 731.5837
Zero-point vibrational energy (Hartree): 0.132669
Internal energy at 0 K (Hartree): -383.709749
Internal energy at 298.15 K (Hartree): -383.703795
Enthalpy at 298.15 K (Hartree): -383.702851
Free energy at 298.15 K (Hartree): -383.739724
Heat capacity at 298.15 K (cal/mol K): 23.771
Atomization energy at 0 K (kcal/mol): -1567.376292475
Atomization energy at 298.15 K (kcal/mol): -1577.8607128471
Atomization enthalpy at 298.15 K (kcal/mol): -1586.751260359
Atomization free energy at 298.15 K (kcal/mol): -1459.1730330781