Molecule SMILES: CC1CC(C1)C(F)(F)F
Rotational constants A, B, C (GHz): 3.45159, 0.9953, 0.94545
Dipole moment mu (Debye): 2.1801
Isotropic polarizability alpha (Bohr^3): 64.69
HOMO energy (Hartree): -0.308
LUMO energy (Hartree): 0.0832
HOMO-LUMO gap (Hartree): 0.3912
Electronic spatial extent r2 (Bohr^2): 1284.3946
Zero-point vibrational energy (Hartree): 0.143912
Internal energy at 0 K (Hartree): -533.462403
Internal energy at 298.15 K (Hartree): -533.453667
Enthalpy at 298.15 K (Hartree): -533.452723
Free energy at 298.15 K (Hartree): -533.496439
Heat capacity at 298.15 K (cal/mol K): 32.417
Atomization energy at 0 K (kcal/mol): -1708.7848181161
Atomization energy at 298.15 K (kcal/mol): -1719.3006139381
Atomization enthalpy at 298.15 K (kcal/mol): -1729.3765259511
Atomization free energy at 298.15 K (kcal/mol): -1587.3229210581