Accuracy

fe(c5h5)2 d5d   3320 Fe(C5H5)2 D5d

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    #  Species Formula
  3310 Mn(II)2Cl6O4(=) (IPRAMN01) (Geo)H8O4Cl6Mn2
  3311 Iron(+) 6D(g) 4s(1)3d(6)Fe
  3312 Iron, cationFe
  3313 Iron, 3F(g) 3d(7)4s(1)Fe
  3314 Iron, atomFe
  3315 FeH(+) (Geo)HFe
  3316 FeH (Geo)HFe
  3317 Fe-CH3CH3Fe
  3318 Fe(III)Cp2(+) (FERRIC) (Geo)C10H10Fe
  3319 Fe(III)Cp2(+) (FERRIC)C10H10Fe
  3320 Fe(C5H5)2 D5d C10H10Fe
  3321 Fe(C5H5)2 D5d (Geo)C10H10Fe
  3322 Toluene-(2,2'-bipyridine)-iron(0) (Geo)C17H16N2Fe
  3323 Fe(II)(NH3)6H18N6Fe
  3324 Fe(II)(NH3)6 (Geo)H18N6Fe
  3325 Fe(III)(CN)6(3-) (JIHPAR) (Geo)C6N6Fe
  3326 Fe(III)(CN)6(3-)C6N6Fe
  3327 [Fe(II)(CN)6](4-) 1T1(g)C6N6Fe
  3328 [Fe(II)(CN)6](4-) 1T2(g)C6N6Fe
  3329 [Fe(II)(CN)6](4-)C6N6Fe
  3330 [Fe(II)(CN)6](4-) (Geo)C6N6Fe


ΔHf: 57.8 kcal/mol,     REF: G.Pilcher and H. A. Skinner, The Chemistry of the Metal-Carbon Bond, F. R. Hartley and S. Patai, Eds., Wiley, New York, pp. 43-90 (1982).
  
 PM7
Fe(C5H5)2 D5d
 HR=PS1982 H=57.8 HWT=3
 Fe     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.16960733 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.44520138 +1   70.5868990 +1    0.0000000 +0     2     1     0
  C     1.44518788 +1  108.0205695 +1   60.8375103 +1     3     2     1
  C     1.44547444 +1  107.9824981 +1    0.1170145 +1     4     3     2
  C     1.44525849 +1  108.0088679 +1   -0.0911314 +1     5     4     3
  H     1.07485202 +1  130.4043126 +1 -120.9436240 +1     2     1     3
  H     1.07492095 +1  125.7502635 +1  172.8533826 +1     3     2     4
  H     1.07481672 +1  125.7986463 +1  172.5402665 +1     4     3     5
  H     1.07485383 +1  125.7722730 +1  172.7091990 +1     5     4     6
  H     1.07486798 +1  125.7769393 +1  172.7052577 +1     6     5     4
  C     2.16902369 +1  110.9355839 +1  121.7061450 +1     1     2     3
  C     1.44525461 +1   70.5848354 +1  121.6683704 +1    12     1     2
  C     1.44523278 +1  108.0038946 +1   60.8710910 +1    13    12     1
  C     1.44534492 +1  108.0013209 +1    0.0787690 +1    14    13    12
  C     1.44546964 +1   70.5635480 +1  118.1505191 +1    12     1    13
  H     1.07486726 +1  130.4148037 +1  120.9168204 +1    12     1    16
  H     1.07488780 +1  125.7697057 +1  172.7842570 +1    13    12    14
  H     1.07483276 +1  125.7728334 +1  172.5993112 +1    14    13    15
  H     1.07485344 +1  125.7754419 +1  172.6081459 +1    15    14    13
  H     1.07485490 +1  125.7490685 +1  126.4042108 +1    16    12     1