Molecule SMILES: C1C2OC3OCC2OC13
Rotational constants A, B, C (GHz): 2.86368, 2.20695, 1.97962
Dipole moment mu (Debye): 1.7747
Isotropic polarizability alpha (Bohr^3): 65.19
HOMO energy (Hartree): -0.2414
LUMO energy (Hartree): 0.088
HOMO-LUMO gap (Hartree): 0.3294
Electronic spatial extent r2 (Bohr^2): 791.6805
Zero-point vibrational energy (Hartree): 0.140465
Internal energy at 0 K (Hartree): -458.957331
Internal energy at 298.15 K (Hartree): -458.951766
Enthalpy at 298.15 K (Hartree): -458.950822
Free energy at 298.15 K (Hartree): -458.986939
Heat capacity at 298.15 K (cal/mol K): 24.476
Atomization energy at 0 K (kcal/mol): -1682.2123220021
Atomization energy at 298.15 K (kcal/mol): -1693.829396119
Atomization enthalpy at 298.15 K (kcal/mol): -1703.312312127
Atomization free energy at 298.15 K (kcal/mol): -1564.3956247251