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

fef2   3395 FeF2

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    #  Species Formula
  3385 Aqua-(ethylenediaminetriacetatoacetic_acid-N,N',O,O',O'')-iron(iii) (EDTAFE10) (Geo)C10H15N2O9Fe
  3386 Fe(III)(Ox)3C6O12Fe
  3387 Fe(III)(Ox)3 (Geo)C6O12Fe
  3388 H3Fe(III)(Ox)3C6H3O12Fe
  3389 H3Fe(III)(Ox)3 (Geo)C6H3O12Fe
  3390 FeFFFe
  3391 Iron(I) fluoride (Geo)FFe
  3392 Iron(I) fluorideFFe
  3393 Fe(II)(H2O)5.FH10O5FFe
  3394 Fe(II)(H2O)5.F (Geo)H10O5FFe
  3395 FeF2 F2Fe
  3396 FeF2 (Geo)F2Fe
  3397 Iron(VI) difluoride dioxideO2F2Fe
  3398 FeF3F3Fe
  3399 Fe(III)F6F6Fe
  3400 Fe(III)F6 d5 (Geo)F6Fe
  3401 Fe(CO)4(PEt3)C10H15O4PFe
  3402 FeSSFe
  3403 FeCpS(CO)2 (CEYTFE) (Geo)C9H10O2SFe
  3404 FeCpS(CO)2 (CEYTFE)C9H10O2SFe
  3405 Dicarbonyl ethylenediamine bis(phenylthiolato) iron (Geo)C16H18N2O2S2Fe


ΔHf: -84.0 kcal/mol,     REF: S. G. Lias, J. E. Bartmess, J. F. Liebman, J. L. Holmes, R. D. Levin, and W. G. Mallard, "Gas Phase Ion and Neutral Thermochemistry", J. Phys. Chem., i Ref. Data, Suppl. 1, 17 (1988).
  
 QUINTET UHF PM7
FeF2
 HR=LBLHLM88 H=-84.0
 Fe     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.65870709 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.65870681 +1  180.0000000 +1    0.0000000 +0     1     2     0