# Species Formula 3386 Fe(III)(Ox)3C6O12Fe 3387 Fe(III)(Ox)3 (Geo)C6O12Fe 3388 H3Fe(III)(Ox)3C6H3O12Fe 3389 H3Fe(III)(Ox)3 (Geo)C6H3O12Fe 3390 FeFFFe 3391 Iron(I) fluoride (Geo)FFe 3392 Iron(I) fluorideFFe 3393 Fe(II)(H2O)5.FH10O5FFe 3394 Fe(II)(H2O)5.F (Geo)H10O5FFe 3395 FeF2F2Fe 3396 FeF2 (Geo) F2Fe 3397 Iron(VI) difluoride dioxideO2F2Fe 3398 FeF3F3Fe 3399 Fe(III)F6F6Fe 3400 Fe(III)F6 d5 (Geo)F6Fe 3401 Fe(CO)4(PEt3)C10H15O4PFe 3402 FeSSFe 3403 FeCpS(CO)2 (CEYTFE) (Geo)C9H10O2SFe 3404 FeCpS(CO)2 (CEYTFE)C9H10O2SFe 3405 Dicarbonyl ethylenediamine bis(phenylthiolato) iron (Geo)C16H18N2O2S2Fe 3406 bis(beta-dimethylcysteinyl)-iron (LERJIB) (Geo)C10H18N2O4S2Fe
PULAY SHIFT=20 QUINTET OPEN(6,6) PM7 FeF2 GR=DUMMY <Fe-F> Fe 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 F 1.76900000 +1 0.0000000 +0 0.0000000 +0 1 0 0 F 1.63956397 +1 180.0000000 +1 0.0000000 +0 1 2 0