Molecule SMILES: CC1OCOCC1O
Rotational constants A, B, C (GHz): 3.00832, 2.09675, 1.52154
Dipole moment mu (Debye): 1.8564
Isotropic polarizability alpha (Bohr^3): 63.44
HOMO energy (Hartree): -0.2496
LUMO energy (Hartree): 0.0829
HOMO-LUMO gap (Hartree): 0.3325
Electronic spatial extent r2 (Bohr^2): 879.9329
Zero-point vibrational energy (Hartree): 0.154675
Internal energy at 0 K (Hartree): -422.081012
Internal energy at 298.15 K (Hartree): -422.073352
Enthalpy at 298.15 K (Hartree): -422.072408
Free energy at 298.15 K (Hartree): -422.112552
Heat capacity at 298.15 K (cal/mol K): 29.392
Atomization energy at 0 K (kcal/mol): -1663.3286936651
Atomization energy at 298.15 K (kcal/mol): -1674.519061662
Atomization enthalpy at 298.15 K (kcal/mol): -1684.595601184
Atomization free energy at 298.15 K (kcal/mol): -1542.480500409