Molecule SMILES: NC(=[NH2+])C(C=O)=N[O-]
Rotational constants A, B, C (GHz): 3.20593, 1.70985, 1.12062
Dipole moment mu (Debye): 8.9283
Isotropic polarizability alpha (Bohr^3): 66.52
HOMO energy (Hartree): -0.1824
LUMO energy (Hartree): -0.0552
HOMO-LUMO gap (Hartree): 0.1272
Electronic spatial extent r2 (Bohr^2): 971.8243
Zero-point vibrational energy (Hartree): 0.093351
Internal energy at 0 K (Hartree): -431.877352
Internal energy at 298.15 K (Hartree): -431.869068
Enthalpy at 298.15 K (Hartree): -431.868124
Free energy at 298.15 K (Hartree): -431.909912
Heat capacity at 298.15 K (cal/mol K): 29.73
Atomization energy at 0 K (kcal/mol): -1226.73616937
Atomization energy at 298.15 K (kcal/mol): -1233.0909530131
Atomization enthalpy at 298.15 K (kcal/mol): -1240.20251251
Atomization free energy at 298.15 K (kcal/mol): -1139.287142639