Molecule SMILES: C1OC2C3C4OC(C34)C12
Rotational constants A, B, C (GHz): 3.34164, 1.91494, 1.71497
Dipole moment mu (Debye): 2.7603
Isotropic polarizability alpha (Bohr^3): 69.28
HOMO energy (Hartree): -0.2287
LUMO energy (Hartree): 0.0706
HOMO-LUMO gap (Hartree): 0.2992
Electronic spatial extent r2 (Bohr^2): 841.2693
Zero-point vibrational energy (Hartree): 0.138704
Internal energy at 0 K (Hartree): -421.760382
Internal energy at 298.15 K (Hartree): -421.754413
Enthalpy at 298.15 K (Hartree): -421.753469
Free energy at 298.15 K (Hartree): -421.790518
Heat capacity at 298.15 K (cal/mol K): 25.245
Atomization energy at 0 K (kcal/mol): -1695.300904724
Atomization energy at 298.15 K (kcal/mol): -1706.6650927141
Atomization enthalpy at 298.15 K (kcal/mol): -1716.148008722
Atomization free energy at 298.15 K (kcal/mol): -1578.0715558711