Molecule SMILES: OC1C2OC2C2OCC12
Rotational constants A, B, C (GHz): 2.59184, 1.94934, 1.44445
Dipole moment mu (Debye): 2.2297
Isotropic polarizability alpha (Bohr^3): 65.62
HOMO energy (Hartree): -0.2489
LUMO energy (Hartree): 0.0541
HOMO-LUMO gap (Hartree): 0.3029
Electronic spatial extent r2 (Bohr^2): 919.7488
Zero-point vibrational energy (Hartree): 0.137673
Internal energy at 0 K (Hartree): -458.919553
Internal energy at 298.15 K (Hartree): -458.912541
Enthalpy at 298.15 K (Hartree): -458.911597
Free energy at 298.15 K (Hartree): -458.951061
Heat capacity at 298.15 K (cal/mol K): 27.78
Atomization energy at 0 K (kcal/mol): -1658.5062870001
Atomization energy at 298.15 K (kcal/mol): -1669.215355594
Atomization enthalpy at 298.15 K (kcal/mol): -1678.698271602
Atomization free energy at 298.15 K (kcal/mol): -1541.881856823