Molecule SMILES: CC(O)C(=N[O-])C(N)=[NH2+]
Rotational constants A, B, C (GHz): 2.23907, 1.37337, 1.0123
Dipole moment mu (Debye): 6.079
Isotropic polarizability alpha (Bohr^3): 76.25
HOMO energy (Hartree): -0.1776
LUMO energy (Hartree): -0.0336
HOMO-LUMO gap (Hartree): 0.144
Electronic spatial extent r2 (Bohr^2): 1212.9017
Zero-point vibrational energy (Hartree): 0.144719
Internal energy at 0 K (Hartree): -472.367608
Internal energy at 298.15 K (Hartree): -472.357982
Enthalpy at 298.15 K (Hartree): -472.357038
Free energy at 298.15 K (Hartree): -472.401533
Heat capacity at 298.15 K (cal/mol K): 36.527
Atomization energy at 0 K (kcal/mol): -1629.8429308981
Atomization energy at 298.15 K (kcal/mol): -1639.798988692
Atomization enthalpy at 298.15 K (kcal/mol): -1649.874900705
Atomization free energy at 298.15 K (kcal/mol): -1507.381412003