Molecule SMILES: C1OC1C1C2C3OC2C13
Rotational constants A, B, C (GHz): 5.84945, 0.98616, 0.96942
Dipole moment mu (Debye): 1.8345
Isotropic polarizability alpha (Bohr^3): 72.06
HOMO energy (Hartree): -0.237
LUMO energy (Hartree): 0.0755
HOMO-LUMO gap (Hartree): 0.3125
Electronic spatial extent r2 (Bohr^2): 1218.8379
Zero-point vibrational energy (Hartree): 0.135618
Internal energy at 0 K (Hartree): -421.695918
Internal energy at 298.15 K (Hartree): -421.6889
Enthalpy at 298.15 K (Hartree): -421.687956
Free energy at 298.15 K (Hartree): -421.727925
Heat capacity at 298.15 K (cal/mol K): 27.38
Atomization energy at 0 K (kcal/mol): -1654.8491645481
Atomization energy at 298.15 K (kcal/mol): -1665.5550955971
Atomization enthalpy at 298.15 K (kcal/mol): -1675.038011605
Atomization free energy at 298.15 K (kcal/mol): -1538.7938850341