Molecule SMILES: NC(=[NH2+])CC(O)C([O-])=O
Rotational constants A, B, C (GHz): 3.36865, 0.98454, 0.7956
Dipole moment mu (Debye): 14.6307
Isotropic polarizability alpha (Bohr^3): 68.8
HOMO energy (Hartree): -0.1802
LUMO energy (Hartree): -0.0554
HOMO-LUMO gap (Hartree): 0.1248
Electronic spatial extent r2 (Bohr^2): 1369.7102
Zero-point vibrational energy (Hartree): 0.134084
Internal energy at 0 K (Hartree): -492.30444
Internal energy at 298.15 K (Hartree): -492.295467
Enthalpy at 298.15 K (Hartree): -492.294522
Free energy at 298.15 K (Hartree): -492.3389
Heat capacity at 298.15 K (cal/mol K): 33.018
Atomization energy at 0 K (kcal/mol): -1602.4753808811
Atomization energy at 298.15 K (kcal/mol): -1611.952649308
Atomization enthalpy at 298.15 K (kcal/mol): -1621.434937807
Atomization free energy at 298.15 K (kcal/mol): -1487.087143434