Molecule SMILES: NC(CC([O-])=O)C(N)=[NH2+]
Rotational constants A, B, C (GHz): 3.19804, 0.96093, 0.79012
Dipole moment mu (Debye): 14.8144
Isotropic polarizability alpha (Bohr^3): 79.12
HOMO energy (Hartree): -0.1732
LUMO energy (Hartree): -0.0481
HOMO-LUMO gap (Hartree): 0.1251
Electronic spatial extent r2 (Bohr^2): 1402.4412
Zero-point vibrational energy (Hartree): 0.146677
Internal energy at 0 K (Hartree): -472.41025
Internal energy at 298.15 K (Hartree): -472.400888
Enthalpy at 298.15 K (Hartree): -472.399944
Free energy at 298.15 K (Hartree): -472.445002
Heat capacity at 298.15 K (cal/mol K): 34.949
Atomization energy at 0 K (kcal/mol): -1656.6011696761
Atomization energy at 298.15 K (kcal/mol): -1666.722889846
Atomization enthalpy at 298.15 K (kcal/mol): -1676.798801859
Atomization free energy at 298.15 K (kcal/mol): -1534.658600724