Molecule SMILES: COC1OCC2OCC12
Rotational constants A, B, C (GHz): 2.83234, 1.48992, 1.1984
Dipole moment mu (Debye): 1.5816
Isotropic polarizability alpha (Bohr^3): 70.7
HOMO energy (Hartree): -0.2484
LUMO energy (Hartree): 0.0761
HOMO-LUMO gap (Hartree): 0.3246
Electronic spatial extent r2 (Bohr^2): 1089.5002
Zero-point vibrational energy (Hartree): 0.160249
Internal energy at 0 K (Hartree): -460.137497
Internal energy at 298.15 K (Hartree): -460.129314
Enthalpy at 298.15 K (Hartree): -460.12837
Free energy at 298.15 K (Hartree): -460.170903
Heat capacity at 298.15 K (cal/mol K): 30.128
Atomization energy at 0 K (kcal/mol): -1794.9254885821
Atomization energy at 298.15 K (kcal/mol): -1806.6768496251
Atomization enthalpy at 298.15 K (kcal/mol): -1817.3457576431
Atomization free energy at 298.15 K (kcal/mol): -1666.121108715