Molecule SMILES: NC(=[NH2+])CC1=N[N-]N=N1
Rotational constants A, B, C (GHz): 5.01574, 1.00192, 0.84334
Dipole moment mu (Debye): 8.7077
Isotropic polarizability alpha (Bohr^3): 67.27
HOMO energy (Hartree): -0.269
LUMO energy (Hartree): 0.0029
HOMO-LUMO gap (Hartree): 0.2719
Electronic spatial extent r2 (Bohr^2): 1277.2876
Zero-point vibrational energy (Hartree): 0.114543
Internal energy at 0 K (Hartree): -446.305621
Internal energy at 298.15 K (Hartree): -446.297576
Enthalpy at 298.15 K (Hartree): -446.296632
Free energy at 298.15 K (Hartree): -446.339435
Heat capacity at 298.15 K (cal/mol K): 29.09
Atomization energy at 0 K (kcal/mol): -1418.484722009
Atomization energy at 298.15 K (kcal/mol): -1426.766585791
Atomization enthalpy at 298.15 K (kcal/mol): -1435.063509789
Atomization free energy at 298.15 K (kcal/mol): -1315.59771886