Molecule SMILES: C1OCC2OC3C1OC23
Rotational constants A, B, C (GHz): 2.52319, 2.20705, 1.77246
Dipole moment mu (Debye): 1.3881
Isotropic polarizability alpha (Bohr^3): 66.24
HOMO energy (Hartree): -0.2495
LUMO energy (Hartree): 0.0552
HOMO-LUMO gap (Hartree): 0.3046
Electronic spatial extent r2 (Bohr^2): 841.4176
Zero-point vibrational energy (Hartree): 0.138466
Internal energy at 0 K (Hartree): -458.906805
Internal energy at 298.15 K (Hartree): -458.900498
Enthalpy at 298.15 K (Hartree): -458.899554
Free energy at 298.15 K (Hartree): -458.93724
Heat capacity at 298.15 K (cal/mol K): 25.947
Atomization energy at 0 K (kcal/mol): -1650.5068022681
Atomization energy at 298.15 K (kcal/mol): -1661.658264707
Atomization enthalpy at 298.15 K (kcal/mol): -1671.141180715
Atomization free energy at 298.15 K (kcal/mol): -1533.209054934