Molecule SMILES: NC(=[NH2+])CC([O-])=O
Rotational constants A, B, C (GHz): 4.45898, 1.29871, 1.11497
Dipole moment mu (Debye): 0.6587
Isotropic polarizability alpha (Bohr^3): 52.49
HOMO energy (Hartree): -0.1945
LUMO energy (Hartree): 0.0443
HOMO-LUMO gap (Hartree): 0.2387
Electronic spatial extent r2 (Bohr^2): 1015.4306
Zero-point vibrational energy (Hartree): 0.099507
Internal energy at 0 K (Hartree): -377.830859
Internal energy at 298.15 K (Hartree): -377.821977
Enthalpy at 298.15 K (Hartree): -377.821033
Free energy at 298.15 K (Hartree): -377.866584
Heat capacity at 298.15 K (cal/mol K): 28.935
Atomization energy at 0 K (kcal/mol): -1250.013615725
Atomization energy at 298.15 K (kcal/mol): -1255.993148986
Atomization enthalpy at 298.15 K (kcal/mol): -1263.105335992
Atomization free energy at 298.15 K (kcal/mol): -1167.300399417