Molecule SMILES: C1OC23C1OC1C2OC31
Rotational constants A, B, C (GHz): 3.21703, 2.00965, 1.50008
Dipole moment mu (Debye): 1.7563
Isotropic polarizability alpha (Bohr^3): 63.8
HOMO energy (Hartree): -0.2415
LUMO energy (Hartree): 0.0347
HOMO-LUMO gap (Hartree): 0.2762
Electronic spatial extent r2 (Bohr^2): 847.5467
Zero-point vibrational energy (Hartree): 0.113033
Internal energy at 0 K (Hartree): -457.619578
Internal energy at 298.15 K (Hartree): -457.613607
Enthalpy at 298.15 K (Hartree): -457.612662
Free energy at 298.15 K (Hartree): -457.649685
Heat capacity at 298.15 K (cal/mol K): 24.973
Atomization energy at 0 K (kcal/mol): -1470.6118946391
Atomization energy at 298.15 K (kcal/mol): -1480.197094614
Atomization enthalpy at 298.15 K (kcal/mol): -1488.4933911031
Atomization free energy at 298.15 K (kcal/mol): -1366.479286125