Molecule SMILES: CC1OCC1OCCO
Rotational constants A, B, C (GHz): 3.23638, 0.87468, 0.74167
Dipole moment mu (Debye): 1.2617
Isotropic polarizability alpha (Bohr^3): 75.71
HOMO energy (Hartree): -0.251
LUMO energy (Hartree): 0.068
HOMO-LUMO gap (Hartree): 0.319
Electronic spatial extent r2 (Bohr^2): 1557.5582
Zero-point vibrational energy (Hartree): 0.180776
Internal energy at 0 K (Hartree): -461.329498
Internal energy at 298.15 K (Hartree): -461.319447
Enthalpy at 298.15 K (Hartree): -461.318503
Free energy at 298.15 K (Hartree): -461.366079
Heat capacity at 298.15 K (cal/mol K): 35.509
Atomization energy at 0 K (kcal/mol): -1915.0652241771
Atomization energy at 298.15 K (kcal/mol): -1927.4215038961
Atomization enthalpy at 298.15 K (kcal/mol): -1939.2764039241
Atomization free energy at 298.15 K (kcal/mol): -1774.8822236131