Molecule SMILES: O=C1C2OC1C1OCC21
Rotational constants A, B, C (GHz): 2.78779, 1.88995, 1.61344
Dipole moment mu (Debye): 2.9584
Isotropic polarizability alpha (Bohr^3): 63.24
HOMO energy (Hartree): -0.2548
LUMO energy (Hartree): -0.0217
HOMO-LUMO gap (Hartree): 0.2331
Electronic spatial extent r2 (Bohr^2): 860.9522
Zero-point vibrational energy (Hartree): 0.113846
Internal energy at 0 K (Hartree): -457.715209
Internal energy at 298.15 K (Hartree): -457.70877
Enthalpy at 298.15 K (Hartree): -457.707826
Free energy at 298.15 K (Hartree): -457.74613
Heat capacity at 298.15 K (cal/mol K): 25.352
Atomization energy at 0 K (kcal/mol): -1530.6212078181
Atomization energy at 298.15 K (kcal/mol): -1539.9127335811
Atomization enthalpy at 298.15 K (kcal/mol): -1548.2096575791
Atomization free energy at 298.15 K (kcal/mol): -1426.99939163