Molecule SMILES: C1OC11C2OC2C2OC12
Rotational constants A, B, C (GHz): 3.02748, 1.77463, 1.40297
Dipole moment mu (Debye): 1.5069
Isotropic polarizability alpha (Bohr^3): 63.6
HOMO energy (Hartree): -0.2631
LUMO energy (Hartree): 0.0384
HOMO-LUMO gap (Hartree): 0.3015
Electronic spatial extent r2 (Bohr^2): 910.6225
Zero-point vibrational energy (Hartree): 0.112427
Internal energy at 0 K (Hartree): -457.689296
Internal energy at 298.15 K (Hartree): -457.682702
Enthalpy at 298.15 K (Hartree): -457.681757
Free energy at 298.15 K (Hartree): -457.720238
Heat capacity at 298.15 K (cal/mol K): 26.232
Atomization energy at 0 K (kcal/mol): -1514.3605671011
Atomization energy at 298.15 K (kcal/mol): -1523.554828969
Atomization enthalpy at 298.15 K (kcal/mol): -1531.851125458
Atomization free energy at 298.15 K (kcal/mol): -1410.751928602