Molecule SMILES: C1CC2OCOC12
Rotational constants A, B, C (GHz): 4.63787, 3.11652, 2.36537
Dipole moment mu (Debye): 1.3699
Isotropic polarizability alpha (Bohr^3): 55.45
HOMO energy (Hartree): -0.2539
LUMO energy (Hartree): 0.0748
HOMO-LUMO gap (Hartree): 0.3287
Electronic spatial extent r2 (Bohr^2): 602.7683
Zero-point vibrational energy (Hartree): 0.127117
Internal energy at 0 K (Hartree): -345.640969
Internal energy at 298.15 K (Hartree): -345.635252
Enthalpy at 298.15 K (Hartree): -345.634308
Free energy at 298.15 K (Hartree): -345.670726
Heat capacity at 298.15 K (cal/mol K): 21.671
Atomization energy at 0 K (kcal/mol): -1428.064274403
Atomization energy at 298.15 K (kcal/mol): -1437.808234155
Atomization enthalpy at 298.15 K (kcal/mol): -1446.106413171
Atomization free energy at 298.15 K (kcal/mol): -1328.851336449