Molecule SMILES: O=C1OCC2C3OC1C23
Rotational constants A, B, C (GHz): 3.14889, 1.83068, 1.42882
Dipole moment mu (Debye): 4.916
Isotropic polarizability alpha (Bohr^3): 63.49
HOMO energy (Hartree): -0.2584
LUMO energy (Hartree): -0.01
HOMO-LUMO gap (Hartree): 0.2484
Electronic spatial extent r2 (Bohr^2): 889.0406
Zero-point vibrational energy (Hartree): 0.114713
Internal energy at 0 K (Hartree): -457.748511
Internal energy at 298.15 K (Hartree): -457.742098
Enthalpy at 298.15 K (Hartree): -457.741154
Free energy at 298.15 K (Hartree): -457.779373
Heat capacity at 298.15 K (cal/mol K): 25.336
Atomization energy at 0 K (kcal/mol): -1551.5185125361
Atomization energy at 298.15 K (kcal/mol): -1560.8263535331
Atomization enthalpy at 298.15 K (kcal/mol): -1569.123277531
Atomization free energy at 298.15 K (kcal/mol): -1447.8596733171