Molecule SMILES: CC1CC(C1)C(C)(C)C
Rotational constants A, B, C (GHz): 3.03641, 0.9621, 0.91232
Dipole moment mu (Debye): 0.0322
Isotropic polarizability alpha (Bohr^3): 95.7
HOMO energy (Hartree): -0.2774
LUMO energy (Hartree): 0.0736
HOMO-LUMO gap (Hartree): 0.351
Electronic spatial extent r2 (Bohr^2): 1512.8143
Zero-point vibrational energy (Hartree): 0.25048
Internal energy at 0 K (Hartree): -353.562674
Internal energy at 298.15 K (Hartree): -353.551878
Enthalpy at 298.15 K (Hartree): -353.550933
Free energy at 298.15 K (Hartree): -353.597669
Heat capacity at 298.15 K (cal/mol K): 42.111
Atomization energy at 0 K (kcal/mol): -2470.3849613081
Atomization energy at 298.15 K (kcal/mol): -2487.6069458131
Atomization enthalpy at 298.15 K (kcal/mol): -2503.019194362
Atomization free energy at 298.15 K (kcal/mol): -2289.8619171701