Molecule SMILES: C[NH2+]C1(CC1)C([O-])=O
Rotational constants A, B, C (GHz): 2.64794, 2.03011, 1.38827
Dipole moment mu (Debye): 5.2213
Isotropic polarizability alpha (Bohr^3): 64.21
HOMO energy (Hartree): -0.2436
LUMO energy (Hartree): 0.0206
HOMO-LUMO gap (Hartree): 0.2642
Electronic spatial extent r2 (Bohr^2): 930.479
Zero-point vibrational energy (Hartree): 0.142231
Internal energy at 0 K (Hartree): -401.016356
Internal energy at 298.15 K (Hartree): -401.008199
Enthalpy at 298.15 K (Hartree): -401.007254
Free energy at 298.15 K (Hartree): -401.049076
Heat capacity at 298.15 K (cal/mol K): 30.113
Atomization energy at 0 K (kcal/mol): -1610.82815318
Atomization energy at 298.15 K (kcal/mol): -1620.8180964601
Atomization enthalpy at 298.15 K (kcal/mol): -1630.301012468
Atomization free energy at 298.15 K (kcal/mol): -1497.3538181831