Molecule SMILES: O=C1OC2OC1C1OC21
Rotational constants A, B, C (GHz): 3.65925, 1.70602, 1.55775
Dipole moment mu (Debye): 1.9653
Isotropic polarizability alpha (Bohr^3): 55.15
HOMO energy (Hartree): -0.2756
LUMO energy (Hartree): -0.0139
HOMO-LUMO gap (Hartree): 0.2617
Electronic spatial extent r2 (Bohr^2): 829.4192
Zero-point vibrational energy (Hartree): 0.090973
Internal energy at 0 K (Hartree): -493.697298
Internal energy at 298.15 K (Hartree): -493.691539
Enthalpy at 298.15 K (Hartree): -493.690595
Free energy at 298.15 K (Hartree): -493.727466
Heat capacity at 298.15 K (cal/mol K): 23.168
Atomization energy at 0 K (kcal/mol): -1383.0486612701
Atomization energy at 298.15 K (kcal/mol): -1390.989160156
Atomization enthalpy at 298.15 K (kcal/mol): -1398.100092144
Atomization free energy at 298.15 K (kcal/mol): -1292.069268905