Molecule SMILES: C1C2OC1C1OCC2O1
Rotational constants A, B, C (GHz): 3.01164, 1.96236, 1.94288
Dipole moment mu (Debye): 1.9882
Isotropic polarizability alpha (Bohr^3): 64.97
HOMO energy (Hartree): -0.2404
LUMO energy (Hartree): 0.0601
HOMO-LUMO gap (Hartree): 0.3004
Electronic spatial extent r2 (Bohr^2): 812.889
Zero-point vibrational energy (Hartree): 0.139921
Internal energy at 0 K (Hartree): -458.919574
Internal energy at 298.15 K (Hartree): -458.913858
Enthalpy at 298.15 K (Hartree): -458.912914
Free energy at 298.15 K (Hartree): -458.949356
Heat capacity at 298.15 K (cal/mol K): 24.868
Atomization energy at 0 K (kcal/mol): -1658.5194646891
Atomization energy at 298.15 K (kcal/mol): -1670.041784947
Atomization enthalpy at 298.15 K (kcal/mol): -1679.524700955
Atomization free energy at 298.15 K (kcal/mol): -1540.811953978