Molecule SMILES: C1C2OC3CC4OC1C234
Rotational constants A, B, C (GHz): 2.90067, 2.05927, 1.45675
Dipole moment mu (Debye): 2.3806
Isotropic polarizability alpha (Bohr^3): 84.17
HOMO energy (Hartree): -0.1575
LUMO energy (Hartree): -0.0752
HOMO-LUMO gap (Hartree): 0.0823
Electronic spatial extent r2 (Bohr^2): 892.5613
Zero-point vibrational energy (Hartree): 0.135006
Internal energy at 0 K (Hartree): -421.679014
Internal energy at 298.15 K (Hartree): -421.672181
Enthalpy at 298.15 K (Hartree): -421.671237
Free energy at 298.15 K (Hartree): -421.709861
Heat capacity at 298.15 K (cal/mol K): 28.307
Atomization energy at 0 K (kcal/mol): -1644.2417524121
Atomization energy at 298.15 K (kcal/mol): -1655.0637726261
Atomization enthalpy at 298.15 K (kcal/mol): -1664.546688634
Atomization free energy at 298.15 K (kcal/mol): -1527.458562458