Molecule SMILES: CC1OCC2OCC12O
Rotational constants A, B, C (GHz): 2.14265, 1.8292, 1.40752
Dipole moment mu (Debye): 2.2624
Isotropic polarizability alpha (Bohr^3): 70.43
HOMO energy (Hartree): -0.2486
LUMO energy (Hartree): 0.0511
HOMO-LUMO gap (Hartree): 0.2997
Electronic spatial extent r2 (Bohr^2): 1016.5284
Zero-point vibrational energy (Hartree): 0.158835
Internal energy at 0 K (Hartree): -460.146316
Internal energy at 298.15 K (Hartree): -460.13789
Enthalpy at 298.15 K (Hartree): -460.136946
Free energy at 298.15 K (Hartree): -460.17904
Heat capacity at 298.15 K (cal/mol K): 32.256
Atomization energy at 0 K (kcal/mol): -1800.4594904531
Atomization energy at 298.15 K (kcal/mol): -1812.0583668091
Atomization enthalpy at 298.15 K (kcal/mol): -1822.7272748271
Atomization free energy at 298.15 K (kcal/mol): -1671.2271494481