Molecule SMILES: COC1C2OC2C2OC12
Rotational constants A, B, C (GHz): 3.06671, 1.5565, 1.23729
Dipole moment mu (Debye): 3.793
Isotropic polarizability alpha (Bohr^3): 67.21
HOMO energy (Hartree): -0.2511
LUMO energy (Hartree): 0.0432
HOMO-LUMO gap (Hartree): 0.2944
Electronic spatial extent r2 (Bohr^2): 1028.4561
Zero-point vibrational energy (Hartree): 0.135297
Internal energy at 0 K (Hartree): -458.897674
Internal energy at 298.15 K (Hartree): -458.889995
Enthalpy at 298.15 K (Hartree): -458.889051
Free energy at 298.15 K (Hartree): -458.930274
Heat capacity at 298.15 K (cal/mol K): 28.823
Atomization energy at 0 K (kcal/mol): -1644.7770175891
Atomization energy at 298.15 K (kcal/mol): -1655.06753768
Atomization enthalpy at 298.15 K (kcal/mol): -1664.5504536881
Atomization free energy at 298.15 K (kcal/mol): -1528.83782724