Molecule SMILES: O1C2C3OC4C1C2OC34
Rotational constants A, B, C (GHz): 2.75469, 2.64904, 2.03895
Dipole moment mu (Debye): 1.5642
Isotropic polarizability alpha (Bohr^3): 60.94
HOMO energy (Hartree): -0.2364
LUMO energy (Hartree): 0.0274
HOMO-LUMO gap (Hartree): 0.2638
Electronic spatial extent r2 (Bohr^2): 729.8
Zero-point vibrational energy (Hartree): 0.11636
Internal energy at 0 K (Hartree): -457.708038
Internal energy at 298.15 K (Hartree): -457.703085
Enthalpy at 298.15 K (Hartree): -457.70214
Free energy at 298.15 K (Hartree): -457.737168
Heat capacity at 298.15 K (cal/mol K): 22.111
Atomization energy at 0 K (kcal/mol): -1526.1213407791
Atomization energy at 298.15 K (kcal/mol): -1536.345344916
Atomization enthalpy at 298.15 K (kcal/mol): -1544.641641405
Atomization free energy at 298.15 K (kcal/mol): -1421.375655972