PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

fehr   3317 FeH (Geo)

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    #  Species Formula
  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, atomFe
  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
  3326 Fe(III)(CN)6(3-) (JIHPAR) (Geo)C6N6Fe
  3327 Fe(III)(CN)6(3-)C6N6Fe


REF: No reference available, but data are consistent with other data.
  
 QUARTET SHIFT=15 OPEN(7,6) PM7
FeH
 GR=DUMMY <Fe-H>
 Fe     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  H     1.62900000 +1    0.0000000 +0    0.0000000 +0     1     0     0