Molecule SMILES: O=C1CC(N1)C1CCC1
Rotational constants A, B, C (GHz): 5.09011, 0.83734, 0.76325
Dipole moment mu (Debye): 3.9627
Isotropic polarizability alpha (Bohr^3): 80.59
HOMO energy (Hartree): -0.2456
LUMO energy (Hartree): 0.0396
HOMO-LUMO gap (Hartree): 0.2853
Electronic spatial extent r2 (Bohr^2): 1497.9363
Zero-point vibrational energy (Hartree): 0.171826
Internal energy at 0 K (Hartree): -403.16385
Internal energy at 298.15 K (Hartree): -403.155258
Enthalpy at 298.15 K (Hartree): -403.154314
Free energy at 298.15 K (Hartree): -403.198009
Heat capacity at 298.15 K (cal/mol K): 32.235
Atomization energy at 0 K (kcal/mol): -1935.867147527
Atomization energy at 298.15 K (kcal/mol): -1948.251037642
Atomization enthalpy at 298.15 K (kcal/mol): -1959.512941665
Atomization free energy at 298.15 K (kcal/mol): -1801.053741476