# Species Formula 3385 Fe(III)(Ox)3C6O12Fe 3386 Fe(III)(Ox)3 (Geo)C6O12Fe 3387 H3Fe(III)(Ox)3C6H3O12Fe 3388 H3Fe(III)(Ox)3 (Geo)C6H3O12Fe 3389 FeFFFe 3390 Iron(I) fluoride (Geo)FFe 3391 Iron(I) fluorideFFe 3392 Fe(II)(H2O)5.FH10O5FFe 3393 Fe(II)(H2O)5.F (Geo)H10O5FFe 3394 FeF2F2Fe 3395 FeF2 (Geo) F2Fe 3396 Iron(VI) difluoride dioxideO2F2Fe 3397 FeF3F3Fe 3398 Fe(III)F6F6Fe 3399 Fe(III)F6 d5 (Geo)F6Fe 3400 Fe(CO)4(PEt3)C10H15O4PFe 3401 FeSSFe 3402 FeCpS(CO)2 (CEYTFE) (Geo)C9H10O2SFe 3403 FeCpS(CO)2 (CEYTFE)C9H10O2SFe 3404 Dicarbonyl ethylenediamine bis(phenylthiolato) iron (Geo)C16H18N2O2S2Fe 3405 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