Molecule SMILES: CC1CCC(C)(C)C1
Rotational constants A, B, C (GHz): 3.33017, 1.3906, 1.30468
Dipole moment mu (Debye): 0.095
Isotropic polarizability alpha (Bohr^3): 84.67
HOMO energy (Hartree): -0.2963
LUMO energy (Hartree): 0.0786
HOMO-LUMO gap (Hartree): 0.3749
Electronic spatial extent r2 (Bohr^2): 1131.5538
Zero-point vibrational energy (Hartree): 0.223655
Internal energy at 0 K (Hartree): -314.303423
Internal energy at 298.15 K (Hartree): -314.294262
Enthalpy at 298.15 K (Hartree): -314.293318
Free energy at 298.15 K (Hartree): -314.337109
Heat capacity at 298.15 K (cal/mol K): 35.724
Atomization energy at 0 K (kcal/mol): -2211.893296411
Atomization energy at 298.15 K (kcal/mol): -2227.4749723901
Atomization enthalpy at 298.15 K (kcal/mol): -2241.109487942
Atomization free energy at 298.15 K (kcal/mol): -2053.046923169