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

iron trichloride, dimer   3440 Iron trichloride, dimer

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    #  Species Formula
  3430 Trichloro-(1,4,7-trithiacyclononane)-iron(iii) (Geo)C6H12S3Cl3Fe
  3431 Fe(III)Cl4(-) (Geo)Cl4Fe
  3432 Fe(II)Cl4(2-) (GOXLUA) (Geo)Cl4Fe
  3433 Fe(II)Cl4(2-) (GOXLUA)Cl4Fe
  3434 Fe(III)Cl6Cl6Fe
  3435 Fe(III)Cl6 (DALLIL) (Geo)C3H15N6Cl6Fe
  3436 Fe2Fe2
  3437 Fe2(CO)9C9O9Fe2
  3438 Fe2(CO)9 (Geo)C9O9Fe2
  3439 Iron dichloride, dimerCl4Fe2
  3440 Iron trichloride, dimer Cl6Fe2
  3441 Cobalt, cationCo
  3442 Cobalt, atomCo
  3443 Bicyclopentadienyl cobaltC10H10Co
  3444 Co(II)Cp2 (DCYPCO) (Geo)C10H10Co
  3445 Co(II)Cp2 (DCYPCO)C10H10Co
  3446 Co(V)(CN)4 (Geo)C4N4Co
  3447 Co(II)(en)3 (Geo)C6H24N6Co
  3448 Co(III)N6(3+) (COTENC01) (Geo)C6H24N6Co
  3449 Co(III)N6(3+) (COTENC01)C6H24N6Co
  3450 Co(II)N6(2+) (QICSOK) (Geo)C6H24N6Co


ΔHf: -156.4 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 UHF PULAY FIELD=(0.01,0.02,0.03) PM7
Iron trichloride, dimer
 H=-156.4 HR=NIST
 XX     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Fe     1.80063797 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     1.60514721 +1   80.4060420 +1    0.0000000 +0     1     2     0
 Fe     1.39517365 +1  179.8372618 +1 -149.6196291 +1     1     2     3
 Cl     1.61334198 +1  143.7116223 +1   66.8747646 +1     1     3     2
 Cl     2.05912285 +1  129.4906243 +1  115.8305699 +1     2     1     3
 Cl     2.10592387 +1   72.9359595 +1 -100.9367622 +1     2     1     3
 Cl     2.05024778 +1  114.1325205 +1   77.0527001 +1     4     1     3
 Cl     2.10874693 +1  102.7918283 +1  -76.1877481 +1     4     1     3