Molecule SMILES: C1OC1C12OC3C1OC23
Rotational constants A, B, C (GHz): 3.9722, 1.34498, 1.21522
Dipole moment mu (Debye): 1.6452
Isotropic polarizability alpha (Bohr^3): 64.82
HOMO energy (Hartree): -0.2495
LUMO energy (Hartree): 0.0409
HOMO-LUMO gap (Hartree): 0.2903
Electronic spatial extent r2 (Bohr^2): 1012.7161
Zero-point vibrational energy (Hartree): 0.11083
Internal energy at 0 K (Hartree): -457.609135
Internal energy at 298.15 K (Hartree): -457.602195
Enthalpy at 298.15 K (Hartree): -457.60125
Free energy at 298.15 K (Hartree): -457.641053
Heat capacity at 298.15 K (cal/mol K): 26.585
Atomization energy at 0 K (kcal/mol): -1464.0588181521
Atomization energy at 298.15 K (kcal/mol): -1473.035961906
Atomization enthalpy at 298.15 K (kcal/mol): -1481.332258395
Atomization free energy at 298.15 K (kcal/mol): -1361.062628437