Molecule SMILES: CCC(F)(F)F
Rotational constants A, B, C (GHz): 5.21686, 2.75151, 2.72562
Dipole moment mu (Debye): 2.0586
Isotropic polarizability alpha (Bohr^3): 35.84
HOMO energy (Hartree): -0.3543
LUMO energy (Hartree): 0.0922
HOMO-LUMO gap (Hartree): 0.4465
Electronic spatial extent r2 (Bohr^2): 529.7582
Zero-point vibrational energy (Hartree): 0.080927
Internal energy at 0 K (Hartree): -416.814878
Internal energy at 298.15 K (Hartree): -416.80872
Enthalpy at 298.15 K (Hartree): -416.807775
Free energy at 298.15 K (Hartree): -416.84483
Heat capacity at 298.15 K (cal/mol K): 21.285
Atomization energy at 0 K (kcal/mol): -1014.6864455631
Atomization energy at 298.15 K (kcal/mol): -1020.598207852
Atomization enthalpy at 298.15 K (kcal/mol): -1026.5244028481
Atomization free energy at 298.15 K (kcal/mol): -944.785080508