@MOLECULE chloro(hydrido)iron 3 2 0 0 0 SMALL USER_CHARGES @ATOM 1 FE 0.8186 0.0325 -0.0000 Fe 1 UNL111111 0.3299 2 H 1.2676 -1.4878 -0.0000 H 1 UNL111111 -0.0038 3 CL -1.3255 -0.0089 0.0000 Cl 1 UNL111111 -0.3261 @BOND 1 1 2 1 2 1 3 1