Molecule SMILES: O=C1C2OC2C2OCC12
Rotational constants A, B, C (GHz): 2.76509, 1.90852, 1.38468
Dipole moment mu (Debye): 2.2336
Isotropic polarizability alpha (Bohr^3): 63.84
HOMO energy (Hartree): -0.2498
LUMO energy (Hartree): -0.0459
HOMO-LUMO gap (Hartree): 0.2038
Electronic spatial extent r2 (Bohr^2): 906.3912
Zero-point vibrational energy (Hartree): 0.113688
Internal energy at 0 K (Hartree): -457.735187
Internal energy at 298.15 K (Hartree): -457.728536
Enthalpy at 298.15 K (Hartree): -457.727592
Free energy at 298.15 K (Hartree): -457.766413
Heat capacity at 298.15 K (cal/mol K): 25.733
Atomization energy at 0 K (kcal/mol): -1543.1575826201
Atomization energy at 298.15 K (kcal/mol): -1552.3160764751
Atomization enthalpy at 298.15 K (kcal/mol): -1560.6130004731
Atomization free energy at 298.15 K (kcal/mol): -1439.727156677