Molecule SMILES: NC(C(N)=[NH2+])C([O-])=O
Rotational constants A, B, C (GHz): 2.28508, 1.56093, 1.1391
Dipole moment mu (Debye): 0.7468
Isotropic polarizability alpha (Bohr^3): 59.52
HOMO energy (Hartree): -0.184
LUMO energy (Hartree): 0.0477
HOMO-LUMO gap (Hartree): 0.2317
Electronic spatial extent r2 (Bohr^2): 1062.848
Zero-point vibrational energy (Hartree): 0.116984
Internal energy at 0 K (Hartree): -433.166605
Internal energy at 298.15 K (Hartree): -433.156444
Enthalpy at 298.15 K (Hartree): -433.1555
Free energy at 298.15 K (Hartree): -433.203727
Heat capacity at 298.15 K (cal/mol K): 33.571
Atomization energy at 0 K (kcal/mol): -1407.902410233
Atomization energy at 298.15 K (kcal/mol): -1414.8564649711
Atomization enthalpy at 298.15 K (kcal/mol): -1423.154016478
Atomization free energy at 298.15 K (kcal/mol): -1309.945117788