Molecule SMILES: C1CC(C1)C2CCC2
Rotational constants A, B, C (GHz): 5.24622, 1.16193, 1.01348
Dipole moment mu (Debye): 0.0001
Isotropic polarizability alpha (Bohr^3): 82.51
HOMO energy (Hartree): -0.2697
LUMO energy (Hartree): 0.0892
HOMO-LUMO gap (Hartree): 0.3589
Electronic spatial extent r2 (Bohr^2): 1226.6488
Zero-point vibrational energy (Hartree): 0.202138
Internal energy at 0 K (Hartree): -313.05164
Internal energy at 298.15 K (Hartree): -313.043657
Enthalpy at 298.15 K (Hartree): -313.042712
Free energy at 298.15 K (Hartree): -313.08442
Heat capacity at 298.15 K (cal/mol K): 30.681
Atomization energy at 0 K (kcal/mol): -2054.2398177781
Atomization energy at 298.15 K (kcal/mol): -2068.7835938711
Atomization enthalpy at 298.15 K (kcal/mol): -2081.231489904
Atomization free energy at 298.15 K (kcal/mol): -1908.1958831541