Molecule SMILES: CC1OCOCC2OC12
Rotational constants A, B, C (GHz): 2.538, 1.6863, 1.15272
Dipole moment mu (Debye): 3.1357
Isotropic polarizability alpha (Bohr^3): 71.85
HOMO energy (Hartree): -0.2633
LUMO energy (Hartree): 0.0802
HOMO-LUMO gap (Hartree): 0.3435
Electronic spatial extent r2 (Bohr^2): 1089.4337
Zero-point vibrational energy (Hartree): 0.159814
Internal energy at 0 K (Hartree): -460.138837
Internal energy at 298.15 K (Hartree): -460.130768
Enthalpy at 298.15 K (Hartree): -460.129824
Free energy at 298.15 K (Hartree): -460.171481
Heat capacity at 298.15 K (cal/mol K): 30.861
Atomization energy at 0 K (kcal/mol): -1795.7663506421
Atomization energy at 298.15 K (kcal/mol): -1807.589247711
Atomization enthalpy at 298.15 K (kcal/mol): -1818.258155729
Atomization free energy at 298.15 K (kcal/mol): -1666.483808917