Molecule SMILES: NC(=[NH2+])C(O)CC([O-])=O
Rotational constants A, B, C (GHz): 3.2867, 0.9522, 0.78235
Dipole moment mu (Debye): 6.788
Isotropic polarizability alpha (Bohr^3): 66.59
HOMO energy (Hartree): -0.2548
LUMO energy (Hartree): 0.0072
HOMO-LUMO gap (Hartree): 0.2621
Electronic spatial extent r2 (Bohr^2): 1398.9251
Zero-point vibrational energy (Hartree): 0.135354
Internal energy at 0 K (Hartree): -492.330684
Internal energy at 298.15 K (Hartree): -492.321331
Enthalpy at 298.15 K (Hartree): -492.320387
Free energy at 298.15 K (Hartree): -492.365406
Heat capacity at 298.15 K (cal/mol K): 34.198
Atomization energy at 0 K (kcal/mol): -1618.9437270771
Atomization energy at 298.15 K (kcal/mol): -1628.182542084
Atomization enthalpy at 298.15 K (kcal/mol): -1637.665458092
Atomization free energy at 298.15 K (kcal/mol): -1503.719896988