Molecule SMILES: CCOCCOC(C)C
Rotational constants A, B, C (GHz): 5.5153, 0.48495, 0.46089
Dipole moment mu (Debye): 0.1667
Isotropic polarizability alpha (Bohr^3): 88.45
HOMO energy (Hartree): -0.2469
LUMO energy (Hartree): 0.0842
HOMO-LUMO gap (Hartree): 0.331
Electronic spatial extent r2 (Bohr^2): 2497.2455
Zero-point vibrational energy (Hartree): 0.225152
Internal energy at 0 K (Hartree): -426.621639
Internal energy at 298.15 K (Hartree): -426.609592
Enthalpy at 298.15 K (Hartree): -426.608648
Free energy at 298.15 K (Hartree): -426.660765
Heat capacity at 298.15 K (cal/mol K): 41.517
Atomization energy at 0 K (kcal/mol): -2234.3769438811
Atomization energy at 298.15 K (kcal/mol): -2249.035554121
Atomization enthalpy at 298.15 K (kcal/mol): -2263.262438169
Atomization free energy at 298.15 K (kcal/mol): -2069.30505385