Molecule SMILES: CC1CCC(C)(C)C1C
Rotational constants A, B, C (GHz): 2.10717, 1.46147, 1.14668
Dipole moment mu (Debye): 0.1247
Isotropic polarizability alpha (Bohr^3): 94.43
HOMO energy (Hartree): -0.284
LUMO energy (Hartree): 0.0706
HOMO-LUMO gap (Hartree): 0.3546
Electronic spatial extent r2 (Bohr^2): 1284.7404
Zero-point vibrational energy (Hartree): 0.252216
Internal energy at 0 K (Hartree): -353.586729
Internal energy at 298.15 K (Hartree): -353.576399
Enthalpy at 298.15 K (Hartree): -353.575455
Free energy at 298.15 K (Hartree): -353.620846
Heat capacity at 298.15 K (cal/mol K): 41.213
Atomization energy at 0 K (kcal/mol): -2485.479690303
Atomization energy at 298.15 K (kcal/mol): -2502.9940940021
Atomization enthalpy at 298.15 K (kcal/mol): -2518.40697006
Atomization free energy at 298.15 K (kcal/mol): -2304.405693263