Molecule SMILES: [NH3+]C1(CC([O-])=O)CCC1
Rotational constants A, B, C (GHz): 2.84304, 1.14787, 1.00119
Dipole moment mu (Debye): 6.28
Isotropic polarizability alpha (Bohr^3): 74.78
HOMO energy (Hartree): -0.2455
LUMO energy (Hartree): 0.028
HOMO-LUMO gap (Hartree): 0.2735
Electronic spatial extent r2 (Bohr^2): 1255.5231
Zero-point vibrational energy (Hartree): 0.171781
Internal energy at 0 K (Hartree): -440.315969
Internal energy at 298.15 K (Hartree): -440.307201
Enthalpy at 298.15 K (Hartree): -440.306257
Free energy at 298.15 K (Hartree): -440.349627
Heat capacity at 298.15 K (cal/mol K): 33.736
Atomization energy at 0 K (kcal/mol): -1894.647336335
Atomization energy at 298.15 K (kcal/mol): -1906.9201573571
Atomization enthalpy at 298.15 K (kcal/mol): -1918.1820613801
Atomization free energy at 298.15 K (kcal/mol): -1759.2635246031