Molecule SMILES: C1OC2C3OC22C1OC32
Rotational constants A, B, C (GHz): 2.43074, 1.80011, 1.61971
Dipole moment mu (Debye): 1.5471
Isotropic polarizability alpha (Bohr^3): 66.65
HOMO energy (Hartree): -0.2348
LUMO energy (Hartree): -0.0301
HOMO-LUMO gap (Hartree): 0.2047
Electronic spatial extent r2 (Bohr^2): 900.3277
Zero-point vibrational energy (Hartree): 0.113268
Internal energy at 0 K (Hartree): -457.74945
Internal energy at 298.15 K (Hartree): -457.742388
Enthalpy at 298.15 K (Hartree): -457.741444
Free energy at 298.15 K (Hartree): -457.781106
Heat capacity at 298.15 K (cal/mol K): 26.942
Atomization energy at 0 K (kcal/mol): -1552.1077434871
Atomization energy at 298.15 K (kcal/mol): -1561.0083311431
Atomization enthalpy at 298.15 K (kcal/mol): -1569.3052551411
Atomization free energy at 298.15 K (kcal/mol): -1448.9471464141