Molecule SMILES: OC1C2OC3C2OC13
Rotational constants A, B, C (GHz): 3.79883, 2.55487, 2.04637
Dipole moment mu (Debye): 1.4654
Isotropic polarizability alpha (Bohr^3): 54.89
HOMO energy (Hartree): -0.239
LUMO energy (Hartree): 0.043
HOMO-LUMO gap (Hartree): 0.282
Electronic spatial extent r2 (Bohr^2): 672.5965
Zero-point vibrational energy (Hartree): 0.108934
Internal energy at 0 K (Hartree): -419.609711
Internal energy at 298.15 K (Hartree): -419.604305
Enthalpy at 298.15 K (Hartree): -419.603361
Free energy at 298.15 K (Hartree): -419.638986
Heat capacity at 298.15 K (cal/mol K): 22.526
Atomization energy at 0 K (kcal/mol): -1368.2683142841
Atomization energy at 298.15 K (kcal/mol): -1377.318876591
Atomization enthalpy at 298.15 K (kcal/mol): -1385.023432093
Atomization free energy at 298.15 K (kcal/mol): -1272.740736687