Molecule SMILES: C1C2OCOC3COC123
Rotational constants A, B, C (GHz): 2.54994, 2.04429, 1.37789
Dipole moment mu (Debye): 0.5797
Isotropic polarizability alpha (Bohr^3): 67.17
HOMO energy (Hartree): -0.2342
LUMO energy (Hartree): 0.0643
HOMO-LUMO gap (Hartree): 0.2985
Electronic spatial extent r2 (Bohr^2): 933.9552
Zero-point vibrational energy (Hartree): 0.137307
Internal energy at 0 K (Hartree): -458.911801
Internal energy at 298.15 K (Hartree): -458.904902
Enthalpy at 298.15 K (Hartree): -458.903957
Free energy at 298.15 K (Hartree): -458.94296
Heat capacity at 298.15 K (cal/mol K): 27.643
Atomization energy at 0 K (kcal/mol): -1653.6418372321
Atomization energy at 298.15 K (kcal/mol): -1664.421814343
Atomization enthalpy at 298.15 K (kcal/mol): -1673.904102842
Atomization free energy at 298.15 K (kcal/mol): -1536.798406414