Molecule SMILES: NC(=[NH2+])C(O)C([O-])=O
Rotational constants A, B, C (GHz): 2.31654, 1.59513, 1.17057
Dipole moment mu (Debye): 1.4697
Isotropic polarizability alpha (Bohr^3): 55.88
HOMO energy (Hartree): -0.1872
LUMO energy (Hartree): 0.0372
HOMO-LUMO gap (Hartree): 0.2245
Electronic spatial extent r2 (Bohr^2): 1025.7612
Zero-point vibrational energy (Hartree): 0.104369
Internal energy at 0 K (Hartree): -453.04302
Internal energy at 298.15 K (Hartree): -453.033109
Enthalpy at 298.15 K (Hartree): -453.032164
Free energy at 298.15 K (Hartree): -453.079452
Heat capacity at 298.15 K (cal/mol K): 32.819
Atomization energy at 0 K (kcal/mol): -1342.6226489631
Atomization energy at 298.15 K (kcal/mol): -1348.845028207
Atomization enthalpy at 298.15 K (kcal/mol): -1356.5489562001
Atomization free energy at 298.15 K (kcal/mol): -1250.969939441