Molecule SMILES: C1OC1C1OCC2OC12
Rotational constants A, B, C (GHz): 3.91542, 1.20059, 1.02039
Dipole moment mu (Debye): 2.2004
Isotropic polarizability alpha (Bohr^3): 68.21
HOMO energy (Hartree): -0.2611
LUMO energy (Hartree): 0.0788
HOMO-LUMO gap (Hartree): 0.3399
Electronic spatial extent r2 (Bohr^2): 1157.0439
Zero-point vibrational energy (Hartree): 0.136006
Internal energy at 0 K (Hartree): -458.913385
Internal energy at 298.15 K (Hartree): -458.905832
Enthalpy at 298.15 K (Hartree): -458.904888
Free energy at 298.15 K (Hartree): -458.946121
Heat capacity at 298.15 K (cal/mol K): 28.223
Atomization energy at 0 K (kcal/mol): -1654.6358114881
Atomization energy at 298.15 K (kcal/mol): -1665.005397713
Atomization enthalpy at 298.15 K (kcal/mol): -1674.4883137211
Atomization free energy at 298.15 K (kcal/mol): -1538.781962363