Molecule SMILES: O=CN1CCC2(CO2)C1
Rotational constants A, B, C (GHz): 4.5405, 0.98822, 0.88749
Dipole moment mu (Debye): 2.918
Isotropic polarizability alpha (Bohr^3): 73.58
HOMO energy (Hartree): -0.2441
LUMO energy (Hartree): 0.0192
HOMO-LUMO gap (Hartree): 0.2632
Electronic spatial extent r2 (Bohr^2): 1292.7972
Zero-point vibrational energy (Hartree): 0.148371
Internal energy at 0 K (Hartree): -439.097121
Internal energy at 298.15 K (Hartree): -439.088861
Enthalpy at 298.15 K (Hartree): -439.087917
Free energy at 298.15 K (Hartree): -439.131086
Heat capacity at 298.15 K (cal/mol K): 30.219
Atomization energy at 0 K (kcal/mol): -1757.6608666171
Atomization energy at 298.15 K (kcal/mol): -1768.4753567231
Atomization enthalpy at 298.15 K (kcal/mol): -1778.551268736
Atomization free energy at 298.15 K (kcal/mol): -1635.84066192