Molecule SMILES: NC(=[NH2+])CC(=O)C([O-])=O
Rotational constants A, B, C (GHz): 1.48793, 1.10634, 0.78655
Dipole moment mu (Debye): 0.9173
Isotropic polarizability alpha (Bohr^3): 64.09
HOMO energy (Hartree): -0.1977
LUMO energy (Hartree): -0.0145
HOMO-LUMO gap (Hartree): 0.1832
Electronic spatial extent r2 (Bohr^2): 1471.7898
Zero-point vibrational energy (Hartree): 0.105204
Internal energy at 0 K (Hartree): -491.147261
Internal energy at 298.15 K (Hartree): -491.134327
Enthalpy at 298.15 K (Hartree): -491.133383
Free energy at 298.15 K (Hartree): -491.190821
Heat capacity at 298.15 K (cal/mol K): 38.814
Atomization energy at 0 K (kcal/mol): -1504.1867636841
Atomization energy at 298.15 K (kcal/mol): -1509.401363474
Atomization enthalpy at 298.15 K (kcal/mol): -1517.698287472
Atomization free energy at 298.15 K (kcal/mol): -1407.879819909