Molecule SMILES: O=C1CN2CCC12
Rotational constants A, B, C (GHz): 5.30661, 2.59558, 2.0623
Dipole moment mu (Debye): 2.0233
Isotropic polarizability alpha (Bohr^3): 57.07
HOMO energy (Hartree): -0.2343
LUMO energy (Hartree): -0.0308
HOMO-LUMO gap (Hartree): 0.2035
Electronic spatial extent r2 (Bohr^2): 640.4692
Zero-point vibrational energy (Hartree): 0.114101
Internal energy at 0 K (Hartree): -324.542706
Internal energy at 298.15 K (Hartree): -324.536795
Enthalpy at 298.15 K (Hartree): -324.535851
Free energy at 298.15 K (Hartree): -324.572674
Heat capacity at 298.15 K (cal/mol K): 22.067
Atomization energy at 0 K (kcal/mol): -1354.475038955
Atomization energy at 298.15 K (kcal/mol): -1363.208709217
Atomization enthalpy at 298.15 K (kcal/mol): -1370.913892228
Atomization free energy at 298.15 K (kcal/mol): -1262.027903039