# Species Formula 3305 Mn2(Ac)4 (Geo)C8H12O8Mn2 3306 Mn2(CO)9C9O9Mn2 3307 Mn2(CO)10C10O10Mn2 3308 Mn2(CO)10 (Geo)C10O10Mn2 3309 Mn2(CO)10C2 (JIPVOT) (Geo)C12O10Mn2 3310 Mn2(CO)8(CF2)2 (DOFPET) (Geo)C10O8F4Mn2 3311 Mn(II)2Cl6O4(=) (IPRAMN01) (Geo)H8O4Cl6Mn2 3312 Iron(+) 6D(g) 4s(1)3d(6)Fe 3313 Iron, cationFe 3314 Iron, 3F(g) 3d(7)4s(1)Fe 3315 Iron, atom Fe 3316 FeH(+) (Geo)HFe 3317 FeH (Geo)HFe 3318 Fe-CH3CH3Fe 3319 Fe(III)Cp2(+) (FERRIC) (Geo)C10H10Fe 3320 Fe(III)Cp2(+) (FERRIC)C10H10Fe 3321 Fe(C5H5)2 D5dC10H10Fe 3322 Fe(C5H5)2 D5d (Geo)C10H10Fe 3323 Toluene-(2,2'-bipyridine)-iron(0) (Geo)C17H16N2Fe 3324 Fe(II)(NH3)6H18N6Fe 3325 Fe(II)(NH3)6 (Geo)H18N6Fe
OPEN(6,5) MECI PM7 Iron, atom H=99.3 HR=CRC Fe 0.00000000 +0 0.00000000 +0 0.00000000 +0