Molecule SMILES: C1COCCOC1
Rotational constants A, B, C (GHz): 3.55986, 3.03433, 1.84726
Dipole moment mu (Debye): 0.9774
Isotropic polarizability alpha (Bohr^3): 60.26
HOMO energy (Hartree): -0.2436
LUMO energy (Hartree): 0.0839
HOMO-LUMO gap (Hartree): 0.3276
Electronic spatial extent r2 (Bohr^2): 712.4139
Zero-point vibrational energy (Hartree): 0.150141
Internal energy at 0 K (Hartree): -346.842403
Internal energy at 298.15 K (Hartree): -346.835695
Enthalpy at 298.15 K (Hartree): -346.834751
Free energy at 298.15 K (Hartree): -346.87358
Heat capacity at 298.15 K (cal/mol K): 24.847
Atomization energy at 0 K (kcal/mol): -1554.123302395
Atomization energy at 298.15 K (kcal/mol): -1565.022506216
Atomization enthalpy at 298.15 K (kcal/mol): -1574.506677242
Atomization free energy at 298.15 K (kcal/mol): -1442.430465449