Molecule SMILES: OC1C2OCOC12
Rotational constants A, B, C (GHz): 4.70836, 2.79817, 2.62896
Dipole moment mu (Debye): 2.0945
Isotropic polarizability alpha (Bohr^3): 48.74
HOMO energy (Hartree): -0.2358
LUMO energy (Hartree): 0.0721
HOMO-LUMO gap (Hartree): 0.3079
Electronic spatial extent r2 (Bohr^2): 572.5891
Zero-point vibrational energy (Hartree): 0.102463
Internal energy at 0 K (Hartree): -381.546975
Internal energy at 298.15 K (Hartree): -381.541197
Enthalpy at 298.15 K (Hartree): -381.540253
Free energy at 298.15 K (Hartree): -381.576442
Heat capacity at 298.15 K (cal/mol K): 21.706
Atomization energy at 0 K (kcal/mol): -1232.748960608
Atomization energy at 298.15 K (kcal/mol): -1240.676909314
Atomization enthalpy at 298.15 K (kcal/mol): -1247.78909632
Atomization free energy at 298.15 K (kcal/mol): -1146.468983144