Molecule SMILES: CCOCCOC
Rotational constants A, B, C (GHz): 13.92568, 0.83027, 0.80335
Dipole moment mu (Debye): 0.136
Isotropic polarizability alpha (Bohr^3): 66.22
HOMO energy (Hartree): -0.2497
LUMO energy (Hartree): 0.0864
HOMO-LUMO gap (Hartree): 0.3361
Electronic spatial extent r2 (Bohr^2): 1453.3778
Zero-point vibrational energy (Hartree): 0.169159
Internal energy at 0 K (Hartree): -348.035847
Internal energy at 298.15 K (Hartree): -348.026493
Enthalpy at 298.15 K (Hartree): -348.025549
Free energy at 298.15 K (Hartree): -348.070595
Heat capacity at 298.15 K (cal/mol K): 30.882
Atomization energy at 0 K (kcal/mol): -1675.168533477
Atomization energy at 298.15 K (kcal/mol): -1686.184453972
Atomization enthalpy at 298.15 K (kcal/mol): -1696.854617008
Atomization free energy at 298.15 K (kcal/mol): -1552.345569398