Molecule SMILES: CNC(=[NH2+])C([O-])=O
Rotational constants A, B, C (GHz): 4.97341, 2.02545, 1.45255
Dipole moment mu (Debye): 8.8758
Isotropic polarizability alpha (Bohr^3): 52.77
HOMO energy (Hartree): -0.2307
LUMO energy (Hartree): -0.0336
HOMO-LUMO gap (Hartree): 0.1971
Electronic spatial extent r2 (Bohr^2): 791.2849
Zero-point vibrational energy (Hartree): 0.101417
Internal energy at 0 K (Hartree): -377.816463
Internal energy at 298.15 K (Hartree): -377.808824
Enthalpy at 298.15 K (Hartree): -377.80788
Free energy at 298.15 K (Hartree): -377.849019
Heat capacity at 298.15 K (cal/mol K): 25.86
Atomization energy at 0 K (kcal/mol): -1240.979996161
Atomization energy at 298.15 K (kcal/mol): -1247.7395231091
Atomization enthalpy at 298.15 K (kcal/mol): -1254.851710115
Atomization free energy at 298.15 K (kcal/mol): -1156.278203832