Molecule SMILES: C1CC(C1)CC2CCC2
Rotational constants A, B, C (GHz): 4.58739, 0.7205, 0.70333
Dipole moment mu (Debye): 0.0536
Isotropic polarizability alpha (Bohr^3): 93.56
HOMO energy (Hartree): -0.2732
LUMO energy (Hartree): 0.0842
HOMO-LUMO gap (Hartree): 0.3574
Electronic spatial extent r2 (Bohr^2): 1757.4342
Zero-point vibrational energy (Hartree): 0.230304
Internal energy at 0 K (Hartree): -352.340096
Internal energy at 298.15 K (Hartree): -352.33077
Enthalpy at 298.15 K (Hartree): -352.329826
Free energy at 298.15 K (Hartree): -352.375233
Heat capacity at 298.15 K (cal/mol K): 35.547
Atomization energy at 0 K (kcal/mol): -2331.0578830201
Atomization energy at 298.15 K (kcal/mol): -2347.4252002671
Atomization enthalpy at 298.15 K (kcal/mol): -2361.652084315
Atomization free energy at 298.15 K (kcal/mol): -2163.994906932