Molecule SMILES: CNC(=[NH2+])C(CO)=N[O-]
Rotational constants A, B, C (GHz): 2.1517, 1.25137, 0.82318
Dipole moment mu (Debye): 6.7233
Isotropic polarizability alpha (Bohr^3): 80.28
HOMO energy (Hartree): -0.1661
LUMO energy (Hartree): -0.0281
HOMO-LUMO gap (Hartree): 0.138
Electronic spatial extent r2 (Bohr^2): 1374.4423
Zero-point vibrational energy (Hartree): 0.146277
Internal energy at 0 K (Hartree): -472.353931
Internal energy at 298.15 K (Hartree): -472.343767
Enthalpy at 298.15 K (Hartree): -472.342823
Free energy at 298.15 K (Hartree): -472.389224
Heat capacity at 298.15 K (cal/mol K): 36.3
Atomization energy at 0 K (kcal/mol): -1621.260490305
Atomization energy at 298.15 K (kcal/mol): -1630.8789482571
Atomization enthalpy at 298.15 K (kcal/mol): -1640.95486027
Atomization free energy at 298.15 K (kcal/mol): -1499.6574037221