Molecule SMILES: CC(C)(C(F)(F)F)O
Rotational constants A, B, C (GHz): 2.59223, 1.82915, 1.80455
Dipole moment mu (Debye): 3.0964
Isotropic polarizability alpha (Bohr^3): 50.01
HOMO energy (Hartree): -0.2853
LUMO energy (Hartree): 0.0583
HOMO-LUMO gap (Hartree): 0.3436
Electronic spatial extent r2 (Bohr^2): 833.7344
Zero-point vibrational energy (Hartree): 0.11221
Internal energy at 0 K (Hartree): -531.318565
Internal energy at 298.15 K (Hartree): -531.309702
Enthalpy at 298.15 K (Hartree): -531.308758
Free energy at 298.15 K (Hartree): -531.351696
Heat capacity at 298.15 K (cal/mol K): 31.994
Atomization energy at 0 K (kcal/mol): -1386.0399966731
Atomization energy at 298.15 K (kcal/mol): -1393.8091856021
Atomization enthalpy at 298.15 K (kcal/mol): -1402.1067371091
Atomization free energy at 298.15 K (kcal/mol): -1286.252260475