Molecule SMILES: CCCCOCCOC
Rotational constants A, B, C (GHz): 10.069, 0.38314, 0.37514
Dipole moment mu (Debye): 0.2053
Isotropic polarizability alpha (Bohr^3): 88.77
HOMO energy (Hartree): -0.2492
LUMO energy (Hartree): 0.0871
HOMO-LUMO gap (Hartree): 0.3363
Electronic spatial extent r2 (Bohr^2): 2980.7486
Zero-point vibrational energy (Hartree): 0.225964
Internal energy at 0 K (Hartree): -426.61255
Internal energy at 298.15 K (Hartree): -426.600474
Enthalpy at 298.15 K (Hartree): -426.59953
Free energy at 298.15 K (Hartree): -426.651848
Heat capacity at 298.15 K (cal/mol K): 40.615
Atomization energy at 0 K (kcal/mol): -2228.6735145801
Atomization energy at 298.15 K (kcal/mol): -2243.3139270591
Atomization enthalpy at 298.15 K (kcal/mol): -2257.5408111071
Atomization free energy at 298.15 K (kcal/mol): -2063.709556097