Molecule SMILES: CC1OC1C1OCC1O
Rotational constants A, B, C (GHz): 3.10783, 1.13965, 0.93876
Dipole moment mu (Debye): 1.6041
Isotropic polarizability alpha (Bohr^3): 71.87
HOMO energy (Hartree): -0.2535
LUMO energy (Hartree): 0.0555
HOMO-LUMO gap (Hartree): 0.309
Electronic spatial extent r2 (Bohr^2): 1286.1416
Zero-point vibrational energy (Hartree): 0.157606
Internal energy at 0 K (Hartree): -460.11515
Internal energy at 298.15 K (Hartree): -460.105966
Enthalpy at 298.15 K (Hartree): -460.105022
Free energy at 298.15 K (Hartree): -460.150162
Heat capacity at 298.15 K (cal/mol K): 33.26
Atomization energy at 0 K (kcal/mol): -1780.9025449591
Atomization energy at 298.15 K (kcal/mol): -1792.0257694931
Atomization enthalpy at 298.15 K (kcal/mol): -1802.6946775111
Atomization free energy at 298.15 K (kcal/mol): -1653.1059445461