Molecule SMILES: C1CCCOCOCC1
Rotational constants A, B, C (GHz): 1.88845, 1.76726, 1.04148
Dipole moment mu (Debye): 2.0734
Isotropic polarizability alpha (Bohr^3): 81.07
HOMO energy (Hartree): -0.2468
LUMO energy (Hartree): 0.0785
HOMO-LUMO gap (Hartree): 0.3253
Electronic spatial extent r2 (Bohr^2): 1221.2672
Zero-point vibrational energy (Hartree): 0.20871
Internal energy at 0 K (Hartree): -425.415268
Internal energy at 298.15 K (Hartree): -425.406638
Enthalpy at 298.15 K (Hartree): -425.405694
Free energy at 298.15 K (Hartree): -425.448138
Heat capacity at 298.15 K (cal/mol K): 34.056
Atomization energy at 0 K (kcal/mol): -2105.2199039561
Atomization energy at 298.15 K (kcal/mol): -2120.245606961
Atomization enthalpy at 298.15 K (kcal/mol): -2133.286498999
Atomization free energy at 298.15 K (kcal/mol): -1949.593279393