Molecule SMILES: CC1OC1C1OC1(C)C
Rotational constants A, B, C (GHz): 3.29834, 0.93656, 0.85715
Dipole moment mu (Debye): 0.212
Isotropic polarizability alpha (Bohr^3): 80.57
HOMO energy (Hartree): -0.2581
LUMO energy (Hartree): 0.0742
HOMO-LUMO gap (Hartree): 0.3324
Electronic spatial extent r2 (Bohr^2): 1469.0269
Zero-point vibrational energy (Hartree): 0.17887
Internal energy at 0 K (Hartree): -424.199053
Internal energy at 298.15 K (Hartree): -424.188852
Enthalpy at 298.15 K (Hartree): -424.187907
Free energy at 298.15 K (Hartree): -424.234948
Heat capacity at 298.15 K (cal/mol K): 37.042
Atomization energy at 0 K (kcal/mol): -1969.885665435
Atomization energy at 298.15 K (kcal/mol): -1982.148446313
Atomization enthalpy at 298.15 K (kcal/mol): -1994.002718832
Atomization free energy at 298.15 K (kcal/mol): -1829.528217369