Molecule SMILES: C1CCC(C1)C2CCC2
Rotational constants A, B, C (GHz): 3.9867, 0.90627, 0.78256
Dipole moment mu (Debye): 0.0664
Isotropic polarizability alpha (Bohr^3): 92.61
HOMO energy (Hartree): -0.2813
LUMO energy (Hartree): 0.0829
HOMO-LUMO gap (Hartree): 0.3643
Electronic spatial extent r2 (Bohr^2): 1559.3267
Zero-point vibrational energy (Hartree): 0.231649
Internal energy at 0 K (Hartree): -352.367455
Internal energy at 298.15 K (Hartree): -352.358323
Enthalpy at 298.15 K (Hartree): -352.357378
Free energy at 298.15 K (Hartree): -352.402745
Heat capacity at 298.15 K (cal/mol K): 34.765
Atomization energy at 0 K (kcal/mol): -2348.2259017511
Atomization energy at 298.15 K (kcal/mol): -2364.7149557441
Atomization enthalpy at 298.15 K (kcal/mol): -2378.941212283
Atomization free energy at 298.15 K (kcal/mol): -2181.25893454