Molecule SMILES: OC1COC1C1COC1
Rotational constants A, B, C (GHz): 3.17945, 1.1625, 0.92809
Dipole moment mu (Debye): 3.6596
Isotropic polarizability alpha (Bohr^3): 71.14
HOMO energy (Hartree): -0.2393
LUMO energy (Hartree): 0.0516
HOMO-LUMO gap (Hartree): 0.2909
Electronic spatial extent r2 (Bohr^2): 1260.0058
Zero-point vibrational energy (Hartree): 0.15877
Internal energy at 0 K (Hartree): -460.106705
Internal energy at 298.15 K (Hartree): -460.097741
Enthalpy at 298.15 K (Hartree): -460.096796
Free energy at 298.15 K (Hartree): -460.142032
Heat capacity at 298.15 K (cal/mol K): 31.589
Atomization energy at 0 K (kcal/mol): -1775.6032314541
Atomization energy at 298.15 K (kcal/mol): -1786.864507968
Atomization enthalpy at 298.15 K (kcal/mol): -1797.532788477
Atomization free energy at 298.15 K (kcal/mol): -1648.004296376