Molecule SMILES: C[NH2+][C-](C=O)C(=O)C=O
Rotational constants A, B, C (GHz): 2.01773, 1.4702, 0.91446
Dipole moment mu (Debye): 8.4062
Isotropic polarizability alpha (Bohr^3): 75.08
HOMO energy (Hartree): -0.2123
LUMO energy (Hartree): -0.0852
HOMO-LUMO gap (Hartree): 0.1271
Electronic spatial extent r2 (Bohr^2): 1234.3429
Zero-point vibrational energy (Hartree): 0.122104
Internal energy at 0 K (Hartree): -475.005966
Internal energy at 298.15 K (Hartree): -474.996597
Enthalpy at 298.15 K (Hartree): -474.995652
Free energy at 298.15 K (Hartree): -475.040588
Heat capacity at 298.15 K (cal/mol K): 32.406
Atomization energy at 0 K (kcal/mol): -1564.1270508731
Atomization energy at 298.15 K (kcal/mol): -1572.467900501
Atomization enthalpy at 298.15 K (kcal/mol): -1581.3571929951
Atomization free energy at 298.15 K (kcal/mol): -1455.834057689