Molecule SMILES: C1C2OC1C1OC21
Rotational constants A, B, C (GHz): 5.42173, 3.13282, 3.10522
Dipole moment mu (Debye): 0.1218
Isotropic polarizability alpha (Bohr^3): 51.25
HOMO energy (Hartree): -0.2406
LUMO energy (Hartree): 0.0711
HOMO-LUMO gap (Hartree): 0.3116
Electronic spatial extent r2 (Bohr^2): 514.961
Zero-point vibrational energy (Hartree): 0.103611
Internal energy at 0 K (Hartree): -344.382282
Internal energy at 298.15 K (Hartree): -344.377621
Enthalpy at 298.15 K (Hartree): -344.376677
Free energy at 298.15 K (Hartree): -344.410416
Heat capacity at 298.15 K (cal/mol K): 19.287
Atomization energy at 0 K (kcal/mol): -1266.078473634
Atomization energy at 298.15 K (kcal/mol): -1274.707977402
Atomization enthalpy at 298.15 K (kcal/mol): -1281.820164408
Atomization free energy at 298.15 K (kcal/mol): -1179.218050345