Molecule SMILES: COC(C)C1OCCO1
Rotational constants A, B, C (GHz): 2.48383, 1.34684, 1.13494
Dipole moment mu (Debye): 1.3664
Isotropic polarizability alpha (Bohr^3): 74.46
HOMO energy (Hartree): -0.2423
LUMO energy (Hartree): 0.0781
HOMO-LUMO gap (Hartree): 0.3204
Electronic spatial extent r2 (Bohr^2): 1203.9737
Zero-point vibrational energy (Hartree): 0.181608
Internal energy at 0 K (Hartree): -461.352171
Internal energy at 298.15 K (Hartree): -461.342388
Enthalpy at 298.15 K (Hartree): -461.341443
Free energy at 298.15 K (Hartree): -461.387557
Heat capacity at 298.15 K (cal/mol K): 34.525
Atomization energy at 0 K (kcal/mol): -1929.2927357341
Atomization energy at 298.15 K (kcal/mol): -1941.8171878651
Atomization enthalpy at 298.15 K (kcal/mol): -1953.6714603841
Atomization free energy at 298.15 K (kcal/mol): -1788.3598619151