Molecule SMILES: C1CCOCCOC1
Rotational constants A, B, C (GHz): 2.47791, 2.25733, 1.37741
Dipole moment mu (Debye): 1.0802
Isotropic polarizability alpha (Bohr^3): 70.62
HOMO energy (Hartree): -0.2371
LUMO energy (Hartree): 0.0793
HOMO-LUMO gap (Hartree): 0.3164
Electronic spatial extent r2 (Bohr^2): 949.2051
Zero-point vibrational energy (Hartree): 0.179278
Internal energy at 0 K (Hartree): -386.121208
Internal energy at 298.15 K (Hartree): -386.113508
Enthalpy at 298.15 K (Hartree): -386.112564
Free energy at 298.15 K (Hartree): -386.153178
Heat capacity at 298.15 K (cal/mol K): 29.591
Atomization energy at 0 K (kcal/mol): -1824.8852782781
Atomization energy at 298.15 K (kcal/mol): -1837.828278912
Atomization enthalpy at 298.15 K (kcal/mol): -1849.090810444
Atomization free energy at 298.15 K (kcal/mol): -1691.191975792