Molecule SMILES: CC1CCC(C)C1C
Rotational constants A, B, C (GHz): 3.10054, 1.62305, 1.27881
Dipole moment mu (Debye): 0.1582
Isotropic polarizability alpha (Bohr^3): 84.16
HOMO energy (Hartree): -0.2902
LUMO energy (Hartree): 0.0734
HOMO-LUMO gap (Hartree): 0.3636
Electronic spatial extent r2 (Bohr^2): 1095.6343
Zero-point vibrational energy (Hartree): 0.224126
Internal energy at 0 K (Hartree): -314.299616
Internal energy at 298.15 K (Hartree): -314.290378
Enthalpy at 298.15 K (Hartree): -314.289434
Free energy at 298.15 K (Hartree): -314.332844
Heat capacity at 298.15 K (cal/mol K): 35.518
Atomization energy at 0 K (kcal/mol): -2209.504369648
Atomization energy at 298.15 K (kcal/mol): -2225.037727434
Atomization enthalpy at 298.15 K (kcal/mol): -2238.672242986
Atomization free energy at 298.15 K (kcal/mol): -2050.3705972841