Molecule SMILES: [O-]C(=O)CN1CCC1=[NH2+]
Rotational constants A, B, C (GHz): 2.82253, 1.57375, 1.32423
Dipole moment mu (Debye): 2.6084
Isotropic polarizability alpha (Bohr^3): 67.55
HOMO energy (Hartree): -0.2403
LUMO energy (Hartree): 0.0124
HOMO-LUMO gap (Hartree): 0.2527
Electronic spatial extent r2 (Bohr^2): 1001.9575
Zero-point vibrational energy (Hartree): 0.137329
Internal energy at 0 K (Hartree): -455.168287
Internal energy at 298.15 K (Hartree): -455.160569
Enthalpy at 298.15 K (Hartree): -455.159624
Free energy at 298.15 K (Hartree): -455.200578
Heat capacity at 298.15 K (cal/mol K): 29.837
Atomization energy at 0 K (kcal/mol): -1653.7140007671
Atomization energy at 298.15 K (kcal/mol): -1663.979420498
Atomization enthalpy at 298.15 K (kcal/mol): -1673.461708997
Atomization free energy at 298.15 K (kcal/mol): -1537.220719971