Molecule SMILES: C1OC11C2OC3C2OC13
Rotational constants A, B, C (GHz): 3.24223, 1.90739, 1.5441
Dipole moment mu (Debye): 1.6391
Isotropic polarizability alpha (Bohr^3): 63.25
HOMO energy (Hartree): -0.2402
LUMO energy (Hartree): 0.042
HOMO-LUMO gap (Hartree): 0.2822
Electronic spatial extent r2 (Bohr^2): 851.6509
Zero-point vibrational energy (Hartree): 0.113314
Internal energy at 0 K (Hartree): -457.66516
Internal energy at 298.15 K (Hartree): -457.659084
Enthalpy at 298.15 K (Hartree): -457.65814
Free energy at 298.15 K (Hartree): -457.695501
Heat capacity at 298.15 K (cal/mol K): 24.978
Atomization energy at 0 K (kcal/mol): -1499.2150098771
Atomization energy at 298.15 K (kcal/mol): -1508.7343214071
Atomization enthalpy at 298.15 K (kcal/mol): -1517.0312454051
Atomization free energy at 298.15 K (kcal/mol): -1395.229238469