Molecule SMILES: C[NH2+]CC([O-])=O
Rotational constants A, B, C (GHz): 7.07591, 2.3079, 2.07473
Dipole moment mu (Debye): 5.2128
Isotropic polarizability alpha (Bohr^3): 46.17
HOMO energy (Hartree): -0.2494
LUMO energy (Hartree): 0.0196
HOMO-LUMO gap (Hartree): 0.2691
Electronic spatial extent r2 (Bohr^2): 624.3195
Zero-point vibrational energy (Hartree): 0.108531
Internal energy at 0 K (Hartree): -323.654114
Internal energy at 298.15 K (Hartree): -323.64761
Enthalpy at 298.15 K (Hartree): -323.646666
Free energy at 298.15 K (Hartree): -323.684532
Heat capacity at 298.15 K (cal/mol K): 22.427
Atomization energy at 0 K (kcal/mol): -1191.556759812
Atomization energy at 298.15 K (kcal/mol): -1199.028509475
Atomization enthalpy at 298.15 K (kcal/mol): -1206.14132399
Atomization free energy at 298.15 K (kcal/mol): -1108.263097679