Molecule SMILES: [NH2+]=C1NN=C([N-]1)N(=O)=O
Rotational constants A, B, C (GHz): 4.64483, 1.15167, 0.92377
Dipole moment mu (Debye): 7.9122
Isotropic polarizability alpha (Bohr^3): 61.03
HOMO energy (Hartree): -0.2583
LUMO energy (Hartree): -0.0765
HOMO-LUMO gap (Hartree): 0.1818
Electronic spatial extent r2 (Bohr^2): 1141.4749
Zero-point vibrational energy (Hartree): 0.07903
Internal energy at 0 K (Hartree): -502.05765
Internal energy at 298.15 K (Hartree): -502.050234
Enthalpy at 298.15 K (Hartree): -502.04929
Free energy at 298.15 K (Hartree): -502.090314
Heat capacity at 298.15 K (cal/mol K): 26.589
Atomization energy at 0 K (kcal/mol): -1138.818393416
Atomization energy at 298.15 K (kcal/mol): -1144.828674618
Atomization enthalpy at 298.15 K (kcal/mol): -1151.346610601
Atomization free energy at 298.15 K (kcal/mol): -1055.06225715