Molecule SMILES: C[NH2+]C(C)(C)C([O-])=O
Rotational constants A, B, C (GHz): 2.92606, 1.62797, 1.37016
Dipole moment mu (Debye): 4.8998
Isotropic polarizability alpha (Bohr^3): 67.25
HOMO energy (Hartree): -0.2448
LUMO energy (Hartree): 0.0226
HOMO-LUMO gap (Hartree): 0.2674
Electronic spatial extent r2 (Bohr^2): 998.4762
Zero-point vibrational energy (Hartree): 0.164343
Internal energy at 0 K (Hartree): -402.23442
Internal energy at 298.15 K (Hartree): -402.225231
Enthalpy at 298.15 K (Hartree): -402.224286
Free energy at 298.15 K (Hartree): -402.267817
Heat capacity at 298.15 K (cal/mol K): 33.833
Atomization energy at 0 K (kcal/mol): -1747.3226558421
Atomization energy at 298.15 K (kcal/mol): -1758.4421153221
Atomization enthalpy at 298.15 K (kcal/mol): -1769.11102334
Atomization free energy at 298.15 K (kcal/mol): -1620.9021826661