Molecule SMILES: C1OC1C1OC1C1CO1
Rotational constants A, B, C (GHz): 3.4869, 1.07124, 0.94926
Dipole moment mu (Debye): 1.7004
Isotropic polarizability alpha (Bohr^3): 69.46
HOMO energy (Hartree): -0.2648
LUMO energy (Hartree): 0.0615
HOMO-LUMO gap (Hartree): 0.3263
Electronic spatial extent r2 (Bohr^2): 1257.8518
Zero-point vibrational energy (Hartree): 0.134493
Internal energy at 0 K (Hartree): -458.882158
Internal energy at 298.15 K (Hartree): -458.873908
Enthalpy at 298.15 K (Hartree): -458.872964
Free energy at 298.15 K (Hartree): -458.915967
Heat capacity at 298.15 K (cal/mol K): 29.84
Atomization energy at 0 K (kcal/mol): -1635.0405879451
Atomization energy at 298.15 K (kcal/mol): -1644.972800397
Atomization enthalpy at 298.15 K (kcal/mol): -1654.4557164051
Atomization free energy at 298.15 K (kcal/mol): -1519.8600559771