Molecule SMILES: C1OCC2OC12
Rotational constants A, B, C (GHz): 6.30588, 4.67992, 3.35105
Dipole moment mu (Debye): 2.2543
Isotropic polarizability alpha (Bohr^3): 45.53
HOMO energy (Hartree): -0.2557
LUMO energy (Hartree): 0.0964
HOMO-LUMO gap (Hartree): 0.3521
Electronic spatial extent r2 (Bohr^2): 430.9118
Zero-point vibrational energy (Hartree): 0.097778
Internal energy at 0 K (Hartree): -306.344083
Internal energy at 298.15 K (Hartree): -306.33932
Enthalpy at 298.15 K (Hartree): -306.338376
Free energy at 298.15 K (Hartree): -306.372064
Heat capacity at 298.15 K (cal/mol K): 17.597
Atomization energy at 0 K (kcal/mol): -1145.956308291
Atomization energy at 298.15 K (kcal/mol): -1153.632625888
Atomization enthalpy at 298.15 K (kcal/mol): -1160.152444398
Atomization free energy at 298.15 K (kcal/mol): -1068.12699453