Molecule SMILES: NC(=[NH2+])C1=CN=N[N-]1
Rotational constants A, B, C (GHz): 5.13113, 1.64459, 1.24758
Dipole moment mu (Debye): 10.3832
Isotropic polarizability alpha (Bohr^3): 66.62
HOMO energy (Hartree): -0.2315
LUMO energy (Hartree): -0.0501
HOMO-LUMO gap (Hartree): 0.1814
Electronic spatial extent r2 (Bohr^2): 889.9875
Zero-point vibrational energy (Hartree): 0.097468
Internal energy at 0 K (Hartree): -390.960036
Internal energy at 298.15 K (Hartree): -390.952824
Enthalpy at 298.15 K (Hartree): -390.95188
Free energy at 298.15 K (Hartree): -390.991435
Heat capacity at 298.15 K (cal/mol K): 26.478
Atomization energy at 0 K (kcal/mol): -1254.42186645
Atomization energy at 298.15 K (kcal/mol): -1261.4493397411
Atomization enthalpy at 298.15 K (kcal/mol): -1268.560899238
Atomization free energy at 298.15 K (kcal/mol): -1166.140135276