Molecule SMILES: [NH2+]=C1C=N[N-]C(C=O)=C1
Rotational constants A, B, C (GHz): 3.90866, 1.16053, 0.89522
Dipole moment mu (Debye): 7.9584
Isotropic polarizability alpha (Bohr^3): 75.31
HOMO energy (Hartree): -0.2331
LUMO energy (Hartree): -0.0721
HOMO-LUMO gap (Hartree): 0.161
Electronic spatial extent r2 (Bohr^2): 1202.5569
Zero-point vibrational energy (Hartree): 0.101568
Internal energy at 0 K (Hartree): -432.890709
Internal energy at 298.15 K (Hartree): -432.883023
Enthalpy at 298.15 K (Hartree): -432.882079
Free energy at 298.15 K (Hartree): -432.923057
Heat capacity at 298.15 K (cal/mol K): 28.52
Atomization energy at 0 K (kcal/mol): -1467.945608898
Atomization energy at 298.15 K (kcal/mol): -1475.565450685
Atomization enthalpy at 298.15 K (kcal/mol): -1483.269378678
Atomization free energy at 298.15 K (kcal/mol): -1371.492455526