Molecule SMILES: CCOCC
Rotational constants A, B, C (GHz): 17.9608, 2.23958, 2.09578
Dipole moment mu (Debye): 0.9301
Isotropic polarizability alpha (Bohr^3): 50.62
HOMO energy (Hartree): -0.2483
LUMO energy (Hartree): 0.0931
HOMO-LUMO gap (Hartree): 0.3414
Electronic spatial extent r2 (Bohr^2): 631.0818
Zero-point vibrational energy (Hartree): 0.136152
Internal energy at 0 K (Hartree): -233.547877
Internal energy at 298.15 K (Hartree): -233.541027
Enthalpy at 298.15 K (Hartree): -233.540083
Free energy at 298.15 K (Hartree): -233.578016
Heat capacity at 298.15 K (cal/mol K): 22.881
Atomization energy at 0 K (kcal/mol): -1313.67754132
Atomization energy at 298.15 K (kcal/mol): -1322.709905866
Atomization enthalpy at 298.15 K (kcal/mol): -1331.0093399
Atomization free energy at 298.15 K (kcal/mol): -1219.843610514