Molecule SMILES: CN(C)C(=O)C(F)(F)F
Rotational constants A, B, C (GHz): 2.5602, 1.33547, 1.05291
Dipole moment mu (Debye): 3.9033
Isotropic polarizability alpha (Bohr^3): 56.59
HOMO energy (Hartree): -0.2593
LUMO energy (Hartree): -0.0046
HOMO-LUMO gap (Hartree): 0.2547
Electronic spatial extent r2 (Bohr^2): 1126.564
Zero-point vibrational energy (Hartree): 0.107388
Internal energy at 0 K (Hartree): -585.470666
Internal energy at 298.15 K (Hartree): -585.461091
Enthalpy at 298.15 K (Hartree): -585.460147
Free energy at 298.15 K (Hartree): -585.506262
Heat capacity at 298.15 K (cal/mol K): 32.433
Atomization energy at 0 K (kcal/mol): -1429.0325207901
Atomization energy at 298.15 K (kcal/mol): -1436.354923311
Atomization enthalpy at 298.15 K (kcal/mol): -1444.651847309
Atomization free energy at 298.15 K (kcal/mol): -1328.041849839