Molecule SMILES: C1COCCOCOC1
Rotational constants A, B, C (GHz): 2.0009, 1.88461, 1.10726
Dipole moment mu (Debye): 0.9704
Isotropic polarizability alpha (Bohr^3): 75.58
HOMO energy (Hartree): -0.2471
LUMO energy (Hartree): 0.0934
HOMO-LUMO gap (Hartree): 0.3405
Electronic spatial extent r2 (Bohr^2): 1139.7176
Zero-point vibrational energy (Hartree): 0.184568
Internal energy at 0 K (Hartree): -461.34586
Internal energy at 298.15 K (Hartree): -461.337521
Enthalpy at 298.15 K (Hartree): -461.336576
Free energy at 298.15 K (Hartree): -461.378506
Heat capacity at 298.15 K (cal/mol K): 32.367
Atomization energy at 0 K (kcal/mol): -1925.3325264351
Atomization energy at 298.15 K (kcal/mol): -1938.7631015621
Atomization enthalpy at 298.15 K (kcal/mol): -1950.617374081
Atomization free energy at 298.15 K (kcal/mol): -1782.6802779561