Molecule SMILES: C1OC1C12OC1C1CC21
Rotational constants A, B, C (GHz): 3.70161, 1.29003, 1.17128
Dipole moment mu (Debye): 3.0949
Isotropic polarizability alpha (Bohr^3): 71.59
HOMO energy (Hartree): -0.2337
LUMO energy (Hartree): 0.0491
HOMO-LUMO gap (Hartree): 0.2828
Electronic spatial extent r2 (Bohr^2): 1082.3823
Zero-point vibrational energy (Hartree): 0.135063
Internal energy at 0 K (Hartree): -421.716988
Internal energy at 298.15 K (Hartree): -421.709641
Enthalpy at 298.15 K (Hartree): -421.708697
Free energy at 298.15 K (Hartree): -421.74914
Heat capacity at 298.15 K (cal/mol K): 28.861
Atomization energy at 0 K (kcal/mol): -1668.0707791781
Atomization energy at 298.15 K (kcal/mol): -1678.570259766
Atomization enthalpy at 298.15 K (kcal/mol): -1688.053175774
Atomization free energy at 298.15 K (kcal/mol): -1552.1064884691