Molecule SMILES: FC(F)(F)C12CC1CC2
Rotational constants A, B, C (GHz): 2.89027, 1.33283, 1.21101
Dipole moment mu (Debye): 2.238
Isotropic polarizability alpha (Bohr^3): 61.08
HOMO energy (Hartree): -0.277
LUMO energy (Hartree): 0.0826
HOMO-LUMO gap (Hartree): 0.3596
Electronic spatial extent r2 (Bohr^2): 1049.7104
Zero-point vibrational energy (Hartree): 0.121393
Internal energy at 0 K (Hartree): -532.236101
Internal energy at 298.15 K (Hartree): -532.228337
Enthalpy at 298.15 K (Hartree): -532.227393
Free energy at 298.15 K (Hartree): -532.268938
Heat capacity at 298.15 K (cal/mol K): 29.423
Atomization energy at 0 K (kcal/mol): -1567.120896312
Atomization energy at 298.15 K (kcal/mol): -1576.4695253941
Atomization enthalpy at 298.15 K (kcal/mol): -1585.359445397
Atomization free energy at 298.15 K (kcal/mol): -1458.2775777351