Molecule SMILES: OC1C2OC1C1OC21
Rotational constants A, B, C (GHz): 4.40192, 2.0536, 1.90519
Dipole moment mu (Debye): 1.5234
Isotropic polarizability alpha (Bohr^3): 55.06
HOMO energy (Hartree): -0.254
LUMO energy (Hartree): 0.0611
HOMO-LUMO gap (Hartree): 0.3151
Electronic spatial extent r2 (Bohr^2): 717.4453
Zero-point vibrational energy (Hartree): 0.108233
Internal energy at 0 K (Hartree): -419.59834
Internal energy at 298.15 K (Hartree): -419.592687
Enthalpy at 298.15 K (Hartree): -419.591743
Free energy at 298.15 K (Hartree): -419.627803
Heat capacity at 298.15 K (cal/mol K): 23.444
Atomization energy at 0 K (kcal/mol): -1361.1329094451
Atomization energy at 298.15 K (kcal/mol): -1370.028477029
Atomization enthalpy at 298.15 K (kcal/mol): -1377.733032531
Atomization free energy at 298.15 K (kcal/mol): -1265.72330354