Molecule SMILES: O=C1OC2C3OC3C2O1
Rotational constants A, B, C (GHz): 3.72872, 1.61456, 1.53326
Dipole moment mu (Debye): 6.1614
Isotropic polarizability alpha (Bohr^3): 56.49
HOMO energy (Hartree): -0.2864
LUMO energy (Hartree): 0.0411
HOMO-LUMO gap (Hartree): 0.3276
Electronic spatial extent r2 (Bohr^2): 854.2402
Zero-point vibrational energy (Hartree): 0.090365
Internal energy at 0 K (Hartree): -493.698486
Internal energy at 298.15 K (Hartree): -493.692452
Enthalpy at 298.15 K (Hartree): -493.691508
Free energy at 298.15 K (Hartree): -493.729137
Heat capacity at 298.15 K (cal/mol K): 23.448
Atomization energy at 0 K (kcal/mol): -1383.7941419621
Atomization energy at 298.15 K (kcal/mol): -1391.562075873
Atomization enthalpy at 298.15 K (kcal/mol): -1398.673007861
Atomization free energy at 298.15 K (kcal/mol): -1293.117836444