Molecule SMILES: O=C1COC1C1COC1
Rotational constants A, B, C (GHz): 3.36461, 1.13123, 0.89889
Dipole moment mu (Debye): 1.6673
Isotropic polarizability alpha (Bohr^3): 68.95
HOMO energy (Hartree): -0.252
LUMO energy (Hartree): -0.0396
HOMO-LUMO gap (Hartree): 0.2123
Electronic spatial extent r2 (Bohr^2): 1254.65
Zero-point vibrational energy (Hartree): 0.134854
Internal energy at 0 K (Hartree): -458.925709
Internal energy at 298.15 K (Hartree): -458.917353
Enthalpy at 298.15 K (Hartree): -458.916409
Free energy at 298.15 K (Hartree): -458.960304
Heat capacity at 298.15 K (cal/mol K): 29.298
Atomization energy at 0 K (kcal/mol): -1662.3692324041
Atomization energy at 298.15 K (kcal/mol): -1672.234928902
Atomization enthalpy at 298.15 K (kcal/mol): -1681.71784491
Atomization free energy at 298.15 K (kcal/mol): -1547.68192251