Molecule SMILES: C1OC2C3OCC1OC23
Rotational constants A, B, C (GHz): 2.29929, 2.25961, 1.95163
Dipole moment mu (Debye): 1.0581
Isotropic polarizability alpha (Bohr^3): 66.07
HOMO energy (Hartree): -0.2246
LUMO energy (Hartree): 0.0571
HOMO-LUMO gap (Hartree): 0.2817
Electronic spatial extent r2 (Bohr^2): 831.2391
Zero-point vibrational energy (Hartree): 0.138956
Internal energy at 0 K (Hartree): -458.921382
Internal energy at 298.15 K (Hartree): -458.914976
Enthalpy at 298.15 K (Hartree): -458.914032
Free energy at 298.15 K (Hartree): -458.951959
Heat capacity at 298.15 K (cal/mol K): 26.228
Atomization energy at 0 K (kcal/mol): -1659.6540009611
Atomization energy at 298.15 K (kcal/mol): -1670.7433400091
Atomization enthalpy at 298.15 K (kcal/mol): -1680.2262560171
Atomization free energy at 298.15 K (kcal/mol): -1542.445359905