Molecule SMILES: C1OC1C12OC1C1OC21
Rotational constants A, B, C (GHz): 4.76864, 1.19061, 1.14472
Dipole moment mu (Debye): 2.5235
Isotropic polarizability alpha (Bohr^3): 64.4
HOMO energy (Hartree): -0.252
LUMO energy (Hartree): 0.0264
HOMO-LUMO gap (Hartree): 0.2785
Electronic spatial extent r2 (Bohr^2): 1062.5011
Zero-point vibrational energy (Hartree): 0.110603
Internal energy at 0 K (Hartree): -457.628954
Internal energy at 298.15 K (Hartree): -457.62181
Enthalpy at 298.15 K (Hartree): -457.620866
Free energy at 298.15 K (Hartree): -457.661017
Heat capacity at 298.15 K (cal/mol K): 27.309
Atomization energy at 0 K (kcal/mol): -1476.4954190231
Atomization energy at 298.15 K (kcal/mol): -1485.344550941
Atomization enthalpy at 298.15 K (kcal/mol): -1493.641474939
Atomization free energy at 298.15 K (kcal/mol): -1373.5902181131