Molecule SMILES: [O-]C(=O)C1CCCC[NH2+]1
Rotational constants A, B, C (GHz): 3.20761, 1.12024, 0.94964
Dipole moment mu (Debye): 4.9218
Isotropic polarizability alpha (Bohr^3): 75.21
HOMO energy (Hartree): -0.2537
LUMO energy (Hartree): 0.0202
HOMO-LUMO gap (Hartree): 0.2739
Electronic spatial extent r2 (Bohr^2): 1275.8515
Zero-point vibrational energy (Hartree): 0.174362
Internal energy at 0 K (Hartree): -440.336687
Internal energy at 298.15 K (Hartree): -440.328533
Enthalpy at 298.15 K (Hartree): -440.327589
Free energy at 298.15 K (Hartree): -440.369662
Heat capacity at 298.15 K (cal/mol K): 31.544
Atomization energy at 0 K (kcal/mol): -1907.6480677971
Atomization energy at 298.15 K (kcal/mol): -1920.306179345
Atomization enthalpy at 298.15 K (kcal/mol): -1931.568083368
Atomization free energy at 298.15 K (kcal/mol): -1771.835667418