Molecule SMILES: O=C1OC2C3OC1OC23
Rotational constants A, B, C (GHz): 3.2774, 1.91583, 1.68651
Dipole moment mu (Debye): 4.2675
Isotropic polarizability alpha (Bohr^3): 56.1
HOMO energy (Hartree): -0.2501
LUMO energy (Hartree): -0.0075
HOMO-LUMO gap (Hartree): 0.2426
Electronic spatial extent r2 (Bohr^2): 797.9164
Zero-point vibrational energy (Hartree): 0.091269
Internal energy at 0 K (Hartree): -493.699866
Internal energy at 298.15 K (Hartree): -493.694115
Enthalpy at 298.15 K (Hartree): -493.69317
Free energy at 298.15 K (Hartree): -493.729998
Heat capacity at 298.15 K (cal/mol K): 23.103
Atomization energy at 0 K (kcal/mol): -1384.6601043821
Atomization energy at 298.15 K (kcal/mol): -1392.60562334
Atomization enthalpy at 298.15 K (kcal/mol): -1399.715927819
Atomization free energy at 298.15 K (kcal/mol): -1293.6581216931