Molecule SMILES: CC1[NH2+]C[C-](C=O)C1=O
Rotational constants A, B, C (GHz): 2.80638, 1.27999, 0.93075
Dipole moment mu (Debye): 11.7378
Isotropic polarizability alpha (Bohr^3): 81.87
HOMO energy (Hartree): -0.1832
LUMO energy (Hartree): -0.0055
HOMO-LUMO gap (Hartree): 0.1777
Electronic spatial extent r2 (Bohr^2): 1245.9104
Zero-point vibrational energy (Hartree): 0.148178
Internal energy at 0 K (Hartree): -439.073359
Internal energy at 298.15 K (Hartree): -439.064663
Enthalpy at 298.15 K (Hartree): -439.063719
Free energy at 298.15 K (Hartree): -439.106887
Heat capacity at 298.15 K (cal/mol K): 31.96
Atomization energy at 0 K (kcal/mol): -1742.749997759
Atomization energy at 298.15 K (kcal/mol): -1753.2908939411
Atomization enthalpy at 298.15 K (kcal/mol): -1763.366805954
Atomization free energy at 298.15 K (kcal/mol): -1620.655571629