Molecule SMILES: C[NH2+]C(C)(CO)C([O-])=O
Rotational constants A, B, C (GHz): 1.92875, 1.52198, 1.06195
Dipole moment mu (Debye): 4.7676
Isotropic polarizability alpha (Bohr^3): 70.96
HOMO energy (Hartree): -0.2469
LUMO energy (Hartree): 0.0076
HOMO-LUMO gap (Hartree): 0.2545
Electronic spatial extent r2 (Bohr^2): 1209.1714
Zero-point vibrational energy (Hartree): 0.170175
Internal energy at 0 K (Hartree): -477.449496
Internal energy at 298.15 K (Hartree): -477.439643
Enthalpy at 298.15 K (Hartree): -477.438699
Free energy at 298.15 K (Hartree): -477.48393
Heat capacity at 298.15 K (cal/mol K): 36.534
Atomization energy at 0 K (kcal/mol): -1841.7608778151
Atomization energy at 298.15 K (kcal/mol): -1853.352224063
Atomization enthalpy at 298.15 K (kcal/mol): -1864.6141280861
Atomization free energy at 298.15 K (kcal/mol): -1706.607989395