Molecule SMILES: O=C1OC2C3OC3C12
Rotational constants A, B, C (GHz): 4.48763, 2.15115, 1.93495
Dipole moment mu (Debye): 5.1366
Isotropic polarizability alpha (Bohr^3): 52.69
HOMO energy (Hartree): -0.2713
LUMO energy (Hartree): -0.001
HOMO-LUMO gap (Hartree): 0.2703
Electronic spatial extent r2 (Bohr^2): 685.7719
Zero-point vibrational energy (Hartree): 0.084139
Internal energy at 0 K (Hartree): -418.435579
Internal energy at 298.15 K (Hartree): -418.430014
Enthalpy at 298.15 K (Hartree): -418.42907
Free energy at 298.15 K (Hartree): -418.465277
Heat capacity at 298.15 K (cal/mol K): 21.517
Atomization energy at 0 K (kcal/mol): -1259.3415370101
Atomization energy at 298.15 K (kcal/mol): -1266.515219898
Atomization enthalpy at 298.15 K (kcal/mol): -1273.03378339
Atomization free energy at 298.15 K (kcal/mol): -1177.450357492