Molecule SMILES: C1OC1C1COC1
Rotational constants A, B, C (GHz): 7.42126, 1.64704, 1.45883
Dipole moment mu (Debye): 1.832
Isotropic polarizability alpha (Bohr^3): 56.91
HOMO energy (Hartree): -0.2502
LUMO energy (Hartree): 0.079
HOMO-LUMO gap (Hartree): 0.3292
Electronic spatial extent r2 (Bohr^2): 819.9698
Zero-point vibrational energy (Hartree): 0.125188
Internal energy at 0 K (Hartree): -345.600676
Internal energy at 298.15 K (Hartree): -345.59395
Enthalpy at 298.15 K (Hartree): -345.593006
Free energy at 298.15 K (Hartree): -345.632573
Heat capacity at 298.15 K (cal/mol K): 23.308
Atomization energy at 0 K (kcal/mol): -1402.7800542661
Atomization energy at 298.15 K (kcal/mol): -1411.890857437
Atomization enthalpy at 298.15 K (kcal/mol): -1420.189036453
Atomization free energy at 298.15 K (kcal/mol): -1304.909985572