Molecule SMILES: OC1CCC1C1CC1
Rotational constants A, B, C (GHz): 3.83317, 1.41983, 1.18155
Dipole moment mu (Debye): 1.3189
Isotropic polarizability alpha (Bohr^3): 75.53
HOMO energy (Hartree): -0.2504
LUMO energy (Hartree): 0.0745
HOMO-LUMO gap (Hartree): 0.3249
Electronic spatial extent r2 (Bohr^2): 1081.0432
Zero-point vibrational energy (Hartree): 0.177286
Internal energy at 0 K (Hartree): -348.975476
Internal energy at 298.15 K (Hartree): -348.967248
Enthalpy at 298.15 K (Hartree): -348.966304
Free energy at 298.15 K (Hartree): -349.008342
Heat capacity at 298.15 K (cal/mol K): 31.274
Atomization energy at 0 K (kcal/mol): -1870.1129894531
Atomization energy at 298.15 K (kcal/mol): -1882.7252928441
Atomization enthalpy at 298.15 K (kcal/mol): -1893.987824376
Atomization free energy at 298.15 K (kcal/mol): -1737.237958703