Molecule SMILES: OCC1C2OCOC12
Rotational constants A, B, C (GHz): 3.62841, 1.8498, 1.66589
Dipole moment mu (Debye): 2.3667
Isotropic polarizability alpha (Bohr^3): 59.33
HOMO energy (Hartree): -0.2481
LUMO energy (Hartree): 0.0804
HOMO-LUMO gap (Hartree): 0.3285
Electronic spatial extent r2 (Bohr^2): 826.0655
Zero-point vibrational energy (Hartree): 0.13165
Internal energy at 0 K (Hartree): -420.837383
Internal energy at 298.15 K (Hartree): -420.830389
Enthalpy at 298.15 K (Hartree): -420.829445
Free energy at 298.15 K (Hartree): -420.868905
Heat capacity at 298.15 K (cal/mol K): 26.254
Atomization energy at 0 K (kcal/mol): -1510.7919234181
Atomization energy at 298.15 K (kcal/mol): -1520.6231069211
Atomization enthalpy at 298.15 K (kcal/mol): -1529.5136544331
Atomization free energy at 298.15 K (kcal/mol): -1403.303396772