Molecule SMILES: C1OC2C3C4OC4C2C13
Rotational constants A, B, C (GHz): 4.34967, 1.56177, 1.51269
Dipole moment mu (Debye): 2.7147
Isotropic polarizability alpha (Bohr^3): 69.45
HOMO energy (Hartree): -0.2408
LUMO energy (Hartree): 0.0767
HOMO-LUMO gap (Hartree): 0.3175
Electronic spatial extent r2 (Bohr^2): 896.1032
Zero-point vibrational energy (Hartree): 0.138997
Internal energy at 0 K (Hartree): -421.77245
Internal energy at 298.15 K (Hartree): -421.766644
Enthalpy at 298.15 K (Hartree): -421.7657
Free energy at 298.15 K (Hartree): -421.802313
Heat capacity at 298.15 K (cal/mol K): 25.152
Atomization energy at 0 K (kcal/mol): -1702.873683336
Atomization energy at 298.15 K (kcal/mol): -1714.340155293
Atomization enthalpy at 298.15 K (kcal/mol): -1723.823071301
Atomization free energy at 298.15 K (kcal/mol): -1585.4730245261