Molecule SMILES: O=CC1CCCO1
Rotational constants A, B, C (GHz): 4.80683, 2.26006, 1.9381
Dipole moment mu (Debye): 3.1961
Isotropic polarizability alpha (Bohr^3): 56.99
HOMO energy (Hartree): -0.2399
LUMO energy (Hartree): -0.0212
HOMO-LUMO gap (Hartree): 0.2188
Electronic spatial extent r2 (Bohr^2): 700.8248
Zero-point vibrational energy (Hartree): 0.125634
Internal energy at 0 K (Hartree): -345.665412
Internal energy at 298.15 K (Hartree): -345.658726
Enthalpy at 298.15 K (Hartree): -345.657782
Free energy at 298.15 K (Hartree): -345.696727
Heat capacity at 298.15 K (cal/mol K): 23.526
Atomization energy at 0 K (kcal/mol): -1443.40247689
Atomization energy at 298.15 K (kcal/mol): -1452.538380421
Atomization enthalpy at 298.15 K (kcal/mol): -1460.836559437
Atomization free energy at 298.15 K (kcal/mol): -1345.1671979581