Molecule SMILES: NC(=[NH2+])C([O-])=O
Rotational constants A, B, C (GHz): 5.47512, 3.91202, 2.28171
Dipole moment mu (Debye): 8.5052
Isotropic polarizability alpha (Bohr^3): 41.06
HOMO energy (Hartree): -0.2349
LUMO energy (Hartree): -0.0376
HOMO-LUMO gap (Hartree): 0.1973
Electronic spatial extent r2 (Bohr^2): 506.6426
Zero-point vibrational energy (Hartree): 0.073524
Internal energy at 0 K (Hartree): -338.530072
Internal energy at 298.15 K (Hartree): -338.524237
Enthalpy at 298.15 K (Hartree): -338.523292
Free energy at 298.15 K (Hartree): -338.559249
Heat capacity at 298.15 K (cal/mol K): 20.891
Atomization energy at 0 K (kcal/mol): -965.457737004
Atomization energy at 298.15 K (kcal/mol): -970.683004447
Atomization enthalpy at 298.15 K (kcal/mol): -976.016203438
Atomization free energy at 298.15 K (kcal/mol): -901.133671941