Molecule SMILES: C1OC11C2OC1C1OC21
Rotational constants A, B, C (GHz): 3.1083, 1.90653, 1.54258
Dipole moment mu (Debye): 1.7013
Isotropic polarizability alpha (Bohr^3): 63.19
HOMO energy (Hartree): -0.253
LUMO energy (Hartree): 0.0579
HOMO-LUMO gap (Hartree): 0.3109
Electronic spatial extent r2 (Bohr^2): 860.4201
Zero-point vibrational energy (Hartree): 0.11272
Internal energy at 0 K (Hartree): -457.657289
Internal energy at 298.15 K (Hartree): -457.651011
Enthalpy at 298.15 K (Hartree): -457.650067
Free energy at 298.15 K (Hartree): -457.687724
Heat capacity at 298.15 K (cal/mol K): 25.724
Atomization energy at 0 K (kcal/mol): -1494.2758865381
Atomization energy at 298.15 K (kcal/mol): -1503.66844125
Atomization enthalpy at 298.15 K (kcal/mol): -1511.965365248
Atomization free energy at 298.15 K (kcal/mol): -1390.349100976