Molecule SMILES: NC(=[NH2+])C(CO)=N[O-]
Rotational constants A, B, C (GHz): 2.35024, 2.04033, 1.13753
Dipole moment mu (Debye): 6.1903
Isotropic polarizability alpha (Bohr^3): 67.55
HOMO energy (Hartree): -0.1725
LUMO energy (Hartree): -0.0351
HOMO-LUMO gap (Hartree): 0.1374
Electronic spatial extent r2 (Bohr^2): 992.4534
Zero-point vibrational energy (Hartree): 0.117945
Internal energy at 0 K (Hartree): -433.071644
Internal energy at 298.15 K (Hartree): -433.062903
Enthalpy at 298.15 K (Hartree): -433.061959
Free energy at 298.15 K (Hartree): -433.104759
Heat capacity at 298.15 K (cal/mol K): 31.735
Atomization energy at 0 K (kcal/mol): -1348.313528084
Atomization energy at 298.15 K (kcal/mol): -1356.158645602
Atomization enthalpy at 298.15 K (kcal/mol): -1364.456197109
Atomization free energy at 298.15 K (kcal/mol): -1247.841807076