Molecule SMILES: OC1C2C3OC3C12
Rotational constants A, B, C (GHz): 4.86501, 3.09929, 2.58698
Dipole moment mu (Debye): 2.9896
Isotropic polarizability alpha (Bohr^3): 51.91
HOMO energy (Hartree): -0.2391
LUMO energy (Hartree): 0.0459
HOMO-LUMO gap (Hartree): 0.285
Electronic spatial extent r2 (Bohr^2): 557.4682
Zero-point vibrational energy (Hartree): 0.101941
Internal energy at 0 K (Hartree): -344.359905
Internal energy at 298.15 K (Hartree): -344.354583
Enthalpy at 298.15 K (Hartree): -344.353639
Free energy at 298.15 K (Hartree): -344.388625
Heat capacity at 298.15 K (cal/mol K): 21.65
Atomization energy at 0 K (kcal/mol): -1252.0367047411
Atomization energy at 298.15 K (kcal/mol): -1260.2514250601
Atomization enthalpy at 298.15 K (kcal/mol): -1267.363612066
Atomization free energy at 298.15 K (kcal/mol): -1165.544001726