Molecule SMILES: C1C2OCC3C4OC23C14
Rotational constants A, B, C (GHz): 2.84881, 1.77976, 1.14787
Dipole moment mu (Debye): 1.1408
Isotropic polarizability alpha (Bohr^3): 77.58
HOMO energy (Hartree): -0.2145
LUMO energy (Hartree): 0.0084
HOMO-LUMO gap (Hartree): 0.223
Electronic spatial extent r2 (Bohr^2): 1036.1995
Zero-point vibrational energy (Hartree): 0.137632
Internal energy at 0 K (Hartree): -421.795943
Internal energy at 298.15 K (Hartree): -421.788774
Enthalpy at 298.15 K (Hartree): -421.78783
Free energy at 298.15 K (Hartree): -421.827529
Heat capacity at 298.15 K (cal/mol K): 28.139
Atomization energy at 0 K (kcal/mol): -1717.6157522731
Atomization energy at 298.15 K (kcal/mol): -1728.226929463
Atomization enthalpy at 298.15 K (kcal/mol): -1737.709845471
Atomization free energy at 298.15 K (kcal/mol): -1601.2962914701