Molecule SMILES: OC1C2CC1C2
Rotational constants A, B, C (GHz): 7.03621, 3.45239, 3.19279
Dipole moment mu (Debye): 1.4563
Isotropic polarizability alpha (Bohr^3): 53.19
HOMO energy (Hartree): -0.2526
LUMO energy (Hartree): 0.0751
HOMO-LUMO gap (Hartree): 0.3278
Electronic spatial extent r2 (Bohr^2): 484.8841
Zero-point vibrational energy (Hartree): 0.121175
Internal energy at 0 K (Hartree): -270.375081
Internal energy at 298.15 K (Hartree): -270.369961
Enthalpy at 298.15 K (Hartree): -270.369017
Free energy at 298.15 K (Hartree): -270.403214
Heat capacity at 298.15 K (cal/mol K): 20.256
Atomization energy at 0 K (kcal/mol): -1301.741065122
Atomization energy at 298.15 K (kcal/mol): -1310.971095003
Atomization enthalpy at 298.15 K (kcal/mol): -1318.676905523
Atomization free energy at 298.15 K (kcal/mol): -1210.892194629