Molecule SMILES: CC1OCC1OC1CC1
Rotational constants A, B, C (GHz): 3.4736, 0.98193, 0.84846
Dipole moment mu (Debye): 2.0708
Isotropic polarizability alpha (Bohr^3): 79.1
HOMO energy (Hartree): -0.2435
LUMO energy (Hartree): 0.0764
HOMO-LUMO gap (Hartree): 0.3199
Electronic spatial extent r2 (Bohr^2): 1424.7243
Zero-point vibrational energy (Hartree): 0.181018
Internal energy at 0 K (Hartree): -424.181169
Internal energy at 298.15 K (Hartree): -424.171796
Enthalpy at 298.15 K (Hartree): -424.170851
Free energy at 298.15 K (Hartree): -424.216534
Heat capacity at 298.15 K (cal/mol K): 34.223
Atomization energy at 0 K (kcal/mol): -1958.6632944791
Atomization energy at 298.15 K (kcal/mol): -1971.445652809
Atomization enthalpy at 298.15 K (kcal/mol): -1983.2999253281
Atomization free energy at 298.15 K (kcal/mol): -1817.9732666431