Molecule SMILES: CC(C1CN1)C(F)(F)F
Rotational constants A, B, C (GHz): 2.56327, 1.22799, 1.01374
Dipole moment mu (Debye): 1.431
Isotropic polarizability alpha (Bohr^3): 60.91
HOMO energy (Hartree): -0.2542
LUMO energy (Hartree): 0.0655
HOMO-LUMO gap (Hartree): 0.3198
Electronic spatial extent r2 (Bohr^2): 1179.9292
Zero-point vibrational energy (Hartree): 0.132088
Internal energy at 0 K (Hartree): -549.496516
Internal energy at 298.15 K (Hartree): -549.487567
Enthalpy at 298.15 K (Hartree): -549.486622
Free energy at 298.15 K (Hartree): -549.530893
Heat capacity at 298.15 K (cal/mol K): 32.495
Atomization energy at 0 K (kcal/mol): -1581.5868612891
Atomization energy at 298.15 K (kcal/mol): -1591.0798174411
Atomization enthalpy at 298.15 K (kcal/mol): -1600.5621059401
Atomization free energy at 298.15 K (kcal/mol): -1466.716318767