Molecule SMILES: [O-]C(=O)C(=N)NC=[NH2+]
Rotational constants A, B, C (GHz): 4.41397, 1.25526, 1.00157
Dipole moment mu (Debye): 9.4088
Isotropic polarizability alpha (Bohr^3): 61.43
HOMO energy (Hartree): -0.2532
LUMO energy (Hartree): -0.0547
HOMO-LUMO gap (Hartree): 0.1985
Electronic spatial extent r2 (Bohr^2): 1084.4478
Zero-point vibrational energy (Hartree): 0.095313
Internal energy at 0 K (Hartree): -431.95542
Internal energy at 298.15 K (Hartree): -431.947313
Enthalpy at 298.15 K (Hartree): -431.946368
Free energy at 298.15 K (Hartree): -431.988488
Heat capacity at 298.15 K (cal/mol K): 28.301
Atomization energy at 0 K (kcal/mol): -1275.724541982
Atomization energy at 298.15 K (kcal/mol): -1282.190394718
Atomization enthalpy at 298.15 K (kcal/mol): -1289.301326706
Atomization free energy at 298.15 K (kcal/mol): -1188.594289823