retrievium

C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@H]([C@](O2)(CO)O)O)O)O)O)O)O

Smile Properties
Property	Value
Temperature	298.15
Wave Function / DFT	RHF
SMILES	C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@H]([C@](O2)(CO)O)O)O)O)O)O)O
Molar mass	342.11621
Pressure	1
Basis set	6-31G(d)
HOMO-LUMO gap	16.31282
Number of basis functions	389
Zero Point Vibrational Energy	0.403805
InChI	InChI=1/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8-,9-,10-,11+,12-/m1/s1
Number of occupied orbitals	91
Energy at 0K	-1290.242834
Input SMILES	OC[C@H]1O[C@H](OC[C@H]2O[C@]([C@@H]([C@@H]2O)O)(O)CO)[C@@H]([C@@H]([C@@H]1O)O)O
Number of orbitals	389
Number of virtual orbitals	298
Standard InChI	InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8-,9-,10-,11+,12-/m1/s1
Total Energy	-1290.220814
Entropy	2.464934D-04
Number of imaginary frequencies	0
Enthalpy	-1290.21987
Standard InChI Key	InChIKey=PVXPPJIGRGXGCY-GFKYMIRASA-N
Final Isomeric SMILES	OC[C@H]1O[C@H](OC[C@H]2O[C@](O)(CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O
SMILES	OC[C@H]1O[C@H](OC[C@H]2O[C@]([C@@H]([C@@H]2O)O)(O)CO)[C@@H]([C@@H]([C@@H]1O)O)O
Gibbs energy	-1290.293362
Thermal correction to Energy	0.425825
Thermal correction to Enthalpy	0.426769
Thermal correction to Gibbs energy	0.353277