Molecule SMILES: C1OC2C3OC1OC23
Rotational constants A, B, C (GHz): 3.27194, 2.98857, 2.50242
Dipole moment mu (Debye): 0.575
Isotropic polarizability alpha (Bohr^3): 54.89
HOMO energy (Hartree): -0.229
LUMO energy (Hartree): 0.0662
HOMO-LUMO gap (Hartree): 0.2952
Electronic spatial extent r2 (Bohr^2): 630.4394
Zero-point vibrational energy (Hartree): 0.109699
Internal energy at 0 K (Hartree): -419.64088
Internal energy at 298.15 K (Hartree): -419.635552
Enthalpy at 298.15 K (Hartree): -419.634608
Free energy at 298.15 K (Hartree): -419.67018
Heat capacity at 298.15 K (cal/mol K): 21.549
Atomization energy at 0 K (kcal/mol): -1387.827142305
Atomization energy at 298.15 K (kcal/mol): -1396.926650314
Atomization enthalpy at 298.15 K (kcal/mol): -1404.631205816
Atomization free energy at 298.15 K (kcal/mol): -1292.315252433