Molecule SMILES: CN1CCC2(CO2)C1=O
Rotational constants A, B, C (GHz): 2.9097, 1.50464, 1.09317
Dipole moment mu (Debye): 4.1523
Isotropic polarizability alpha (Bohr^3): 74.05
HOMO energy (Hartree): -0.2392
LUMO energy (Hartree): 0.0118
HOMO-LUMO gap (Hartree): 0.251
Electronic spatial extent r2 (Bohr^2): 1118.3378
Zero-point vibrational energy (Hartree): 0.148109
Internal energy at 0 K (Hartree): -439.109382
Internal energy at 298.15 K (Hartree): -439.100861
Enthalpy at 298.15 K (Hartree): -439.099917
Free energy at 298.15 K (Hartree): -439.142807
Heat capacity at 298.15 K (cal/mol K): 31.092
Atomization energy at 0 K (kcal/mol): -1765.354754466
Atomization energy at 298.15 K (kcal/mol): -1776.0054647231
Atomization enthalpy at 298.15 K (kcal/mol): -1786.081376736
Atomization free energy at 298.15 K (kcal/mol): -1643.195694909