Molecule SMILES: NC(=[NH2+])NCCC([O-])=O
Rotational constants A, B, C (GHz): 3.76111, 0.89755, 0.76781
Dipole moment mu (Debye): 8.7867
Isotropic polarizability alpha (Bohr^3): 70.49
HOMO energy (Hartree): -0.2309
LUMO energy (Hartree): 0.0267
HOMO-LUMO gap (Hartree): 0.2577
Electronic spatial extent r2 (Bohr^2): 1439.5368
Zero-point vibrational energy (Hartree): 0.148622
Internal energy at 0 K (Hartree): -472.457844
Internal energy at 298.15 K (Hartree): -472.448609
Enthalpy at 298.15 K (Hartree): -472.447665
Free energy at 298.15 K (Hartree): -472.492213
Heat capacity at 298.15 K (cal/mol K): 34.224
Atomization energy at 0 K (kcal/mol): -1686.466833022
Atomization energy at 298.15 K (kcal/mol): -1696.668246835
Atomization enthalpy at 298.15 K (kcal/mol): -1706.744158848
Atomization free energy at 298.15 K (kcal/mol): -1564.283928123