Molecule SMILES: CC1OCCC2OC12
Rotational constants A, B, C (GHz): 3.15675, 2.24426, 1.51642
Dipole moment mu (Debye): 2.2407
Isotropic polarizability alpha (Bohr^3): 67.44
HOMO energy (Hartree): -0.2539
LUMO energy (Hartree): 0.084
HOMO-LUMO gap (Hartree): 0.3379
Electronic spatial extent r2 (Bohr^2): 869.7949
Zero-point vibrational energy (Hartree): 0.154867
Internal energy at 0 K (Hartree): -384.931668
Internal energy at 298.15 K (Hartree): -384.924485
Enthalpy at 298.15 K (Hartree): -384.923541
Free energy at 298.15 K (Hartree): -384.962863
Heat capacity at 298.15 K (cal/mol K): 27.884
Atomization energy at 0 K (kcal/mol): -1706.2898423321
Atomization energy at 298.15 K (kcal/mol): -1717.780159631
Atomization enthalpy at 298.15 K (kcal/mol): -1727.856699153
Atomization free energy at 298.15 K (kcal/mol): -1585.481182143