Molecule SMILES: NC(=[NH2+])NC(=N)C([O-])=O
Rotational constants A, B, C (GHz): 3.53218, 1.04657, 0.80797
Dipole moment mu (Debye): 7.5931
Isotropic polarizability alpha (Bohr^3): 67.84
HOMO energy (Hartree): -0.2455
LUMO energy (Hartree): -0.0439
HOMO-LUMO gap (Hartree): 0.2016
Electronic spatial extent r2 (Bohr^2): 1317.6154
Zero-point vibrational energy (Hartree): 0.113503
Internal energy at 0 K (Hartree): -487.335141
Internal energy at 298.15 K (Hartree): -487.326412
Enthalpy at 298.15 K (Hartree): -487.325468
Free energy at 298.15 K (Hartree): -487.368811
Heat capacity at 298.15 K (cal/mol K): 32.226
Atomization energy at 0 K (kcal/mol): -1461.208044765
Atomization energy at 298.15 K (kcal/mol): -1469.060692391
Atomization enthalpy at 298.15 K (kcal/mol): -1477.357616389
Atomization free energy at 298.15 K (kcal/mol): -1358.334846814