# Species Formula 3337 FeO(+)OFe 3338 FeOOFe 3339 FeO (Geo)OFe 3340 FeOHHOFe 3341 FeOH (Geo)HOFe 3342 FeC9 (BUDFEC01) (Geo)C9H12OFe 3343 FeC9 (BUDFEC01)C9H12OFe 3344 FeCO(1,3-C4H6)2C9H12OFe 3345 FeCO(1,3-C4H6)2 (Geo)C9H12OFe 3346 FeO2 3B1O2Fe 3347 FeO2 5B2 O2Fe 3348 Fe(OH)2H2O2Fe 3349 Methyl iron(III) dihydroxide (Geo)CH5O2Fe 3350 FeCp(CO)2(CN) (ACODUR) (Geo)C8H5NO2Fe 3351 FeCp(CO)2(CN) (ACODUR)C8H5NO2Fe 3352 FeCp(CO)2(MECN)(+) (CPACFE) (Geo)C9H8NO2Fe 3353 FeCp(CO)2(MECN)(+) (CPACFE)C9H8NO2Fe 3354 Cyclobutadiene iron tricarbonyl (Geo)C7H4O3Fe 3355 Fe(CO)3(C4H6)C7H6O3Fe 3356 Fe(CO)4(2-) (FUZHUD) (Geo)C4O4Fe 3357 Fe(CO)4(2-)C4O4Fe
PULAY SHIFT=20 QUINTET OPEN(6,6) PM7 FeO2 5B2 DR=GKRJ99 D=3.4 Fe 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 O 1.63423366 +1 0.0000000 +0 0.0000000 +0 1 0 0 O 1.63424351 +1 143.4641509 +1 0.0000000 +0 1 2 0