Molecule SMILES: CC(C1CC1)C(C)(C)C
Rotational constants A, B, C (GHz): 2.32651, 1.16223, 0.97481
Dipole moment mu (Debye): 0.0814
Isotropic polarizability alpha (Bohr^3): 95.37
HOMO energy (Hartree): -0.2684
LUMO energy (Hartree): 0.0794
HOMO-LUMO gap (Hartree): 0.3478
Electronic spatial extent r2 (Bohr^2): 1423.7845
Zero-point vibrational energy (Hartree): 0.249974
Internal energy at 0 K (Hartree): -353.554865
Internal energy at 298.15 K (Hartree): -353.543731
Enthalpy at 298.15 K (Hartree): -353.542787
Free energy at 298.15 K (Hartree): -353.590709
Heat capacity at 298.15 K (cal/mol K): 43.077
Atomization energy at 0 K (kcal/mol): -2465.4847435271
Atomization energy at 298.15 K (kcal/mol): -2482.4946299901
Atomization enthalpy at 298.15 K (kcal/mol): -2497.907506048
Atomization free energy at 298.15 K (kcal/mol): -2285.4944545301