Molecule SMILES: OC(C1CC1)C(F)(F)F
Rotational constants A, B, C (GHz): 2.63509, 1.21779, 1.01719
Dipole moment mu (Debye): 2.0144
Isotropic polarizability alpha (Bohr^3): 57.56
HOMO energy (Hartree): -0.2844
LUMO energy (Hartree): 0.0709
HOMO-LUMO gap (Hartree): 0.3554
Electronic spatial extent r2 (Bohr^2): 1168.5627
Zero-point vibrational energy (Hartree): 0.11955
Internal energy at 0 K (Hartree): -569.379145
Internal energy at 298.15 K (Hartree): -569.370214
Enthalpy at 298.15 K (Hartree): -569.36927
Free energy at 298.15 K (Hartree): -569.413648
Heat capacity at 298.15 K (cal/mol K): 32.309
Atomization energy at 0 K (kcal/mol): -1520.2064409451
Atomization energy at 298.15 K (kcal/mol): -1528.8221395151
Atomization enthalpy at 298.15 K (kcal/mol): -1537.7120595181
Atomization free energy at 298.15 K (kcal/mol): -1412.1525286901