Molecule SMILES: C1OC2OCC3OC1C23
Rotational constants A, B, C (GHz): 2.69514, 2.23555, 1.56984
Dipole moment mu (Debye): 2.5832
Isotropic polarizability alpha (Bohr^3): 66.05
HOMO energy (Hartree): -0.2567
LUMO energy (Hartree): 0.0675
HOMO-LUMO gap (Hartree): 0.3243
Electronic spatial extent r2 (Bohr^2): 862.5562
Zero-point vibrational energy (Hartree): 0.139218
Internal energy at 0 K (Hartree): -458.957696
Internal energy at 298.15 K (Hartree): -458.951365
Enthalpy at 298.15 K (Hartree): -458.950421
Free energy at 298.15 K (Hartree): -458.988593
Heat capacity at 298.15 K (cal/mol K): 25.321
Atomization energy at 0 K (kcal/mol): -1682.4413627871
Atomization energy at 298.15 K (kcal/mol): -1693.5777650101
Atomization enthalpy at 298.15 K (kcal/mol): -1703.060681018
Atomization free energy at 298.15 K (kcal/mol): -1565.433524611