Molecule SMILES: [O-]C(=O)C1CCC[NH2+]1
Rotational constants A, B, C (GHz): 3.80154, 1.63804, 1.29301
Dipole moment mu (Debye): 5.3528
Isotropic polarizability alpha (Bohr^3): 63.31
HOMO energy (Hartree): -0.2455
LUMO energy (Hartree): 0.0201
HOMO-LUMO gap (Hartree): 0.2656
Electronic spatial extent r2 (Bohr^2): 948.6757
Zero-point vibrational energy (Hartree): 0.145066
Internal energy at 0 K (Hartree): -401.044881
Internal energy at 298.15 K (Hartree): -401.037583
Enthalpy at 298.15 K (Hartree): -401.036639
Free energy at 298.15 K (Hartree): -401.077579
Heat capacity at 298.15 K (cal/mol K): 26.983
Atomization energy at 0 K (kcal/mol): -1628.727847405
Atomization energy at 298.15 K (kcal/mol): -1639.256820916
Atomization enthalpy at 298.15 K (kcal/mol): -1648.740364433
Atomization free energy at 298.15 K (kcal/mol): -1515.23970721