Molecule SMILES: NC(=[NH2+])[C-](O)C(=O)C=O
Rotational constants A, B, C (GHz): 2.84866, 1.29816, 0.89286
Dipole moment mu (Debye): 4.7141
Isotropic polarizability alpha (Bohr^3): 76.21
HOMO energy (Hartree): -0.1833
LUMO energy (Hartree): -0.0737
HOMO-LUMO gap (Hartree): 0.1096
Electronic spatial extent r2 (Bohr^2): 1207.9426
Zero-point vibrational energy (Hartree): 0.110741
Internal energy at 0 K (Hartree): -491.121141
Internal energy at 298.15 K (Hartree): -491.11212
Enthalpy at 298.15 K (Hartree): -491.111176
Free energy at 298.15 K (Hartree): -491.15459
Heat capacity at 298.15 K (cal/mol K): 33.664
Atomization energy at 0 K (kcal/mol): -1487.7962286041
Atomization energy at 298.15 K (kcal/mol): -1495.466271111
Atomization enthalpy at 298.15 K (kcal/mol): -1503.763195109
Atomization free energy at 298.15 K (kcal/mol): -1385.14454133