Molecule SMILES: C1OC2C3OC4C3OC124
Rotational constants A, B, C (GHz): 3.05429, 2.17374, 1.73224
Dipole moment mu (Debye): 1.3904
Isotropic polarizability alpha (Bohr^3): 63.39
HOMO energy (Hartree): -0.2465
LUMO energy (Hartree): 0.0282
HOMO-LUMO gap (Hartree): 0.2747
Electronic spatial extent r2 (Bohr^2): 796.0173
Zero-point vibrational energy (Hartree): 0.113685
Internal energy at 0 K (Hartree): -457.635468
Internal energy at 298.15 K (Hartree): -457.629678
Enthalpy at 298.15 K (Hartree): -457.628734
Free energy at 298.15 K (Hartree): -457.665374
Heat capacity at 298.15 K (cal/mol K): 24.338
Atomization energy at 0 K (kcal/mol): -1480.5830126491
Atomization energy at 298.15 K (kcal/mol): -1490.2817917531
Atomization enthalpy at 298.15 K (kcal/mol): -1498.5787157511
Atomization free energy at 298.15 K (kcal/mol): -1376.324274826