Accuracy

Fe(CO)4(2-)   3356 Fe(CO)4(2-)

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    #  Species Formula
  3346 FeO2 5B2O2Fe
  3347 Fe(OH)2H2O2Fe
  3348 Methyl iron(III) dihydroxide (Geo)CH5O2Fe
  3349 FeCp(CO)2(CN) (ACODUR) (Geo)C8H5NO2Fe
  3350 FeCp(CO)2(CN) (ACODUR)C8H5NO2Fe
  3351 FeCp(CO)2(MECN)(+) (CPACFE) (Geo)C9H8NO2Fe
  3352 FeCp(CO)2(MECN)(+) (CPACFE)C9H8NO2Fe
  3353 Cyclobutadiene iron tricarbonyl (Geo)C7H4O3Fe
  3354 Fe(CO)3(C4H6)C7H6O3Fe
  3355 Fe(CO)4(2-) (FUZHUD) (Geo)C4O4Fe
  3356 Fe(CO)4(2-) C4O4Fe
  3357 Fe(CO)4H2C4H2O4Fe
  3358 Fe(CO)4H2 (Geo)C4H2O4Fe
  3359 Fe(CO)4(C2H4)C6H4O4Fe
  3360 Fe(CO)4(C2H4) (Geo)C6H4O4Fe
  3361 Fe(CO)4(Acetonitrile)C6H3NO4Fe
  3362 Fe(CO)2(NO)2C2N2O4Fe
  3363 Fe(CO)2(NO)2 (Geo)C2N2O4Fe
  3364 bis(Pyridine)-tetra-aqua-iron(ii) (NEJBOT01) (Geo)C10H18N2O4Fe
  3365 FeN3O2C16H11N5O4Fe
  3366 FeN3O2 (Geo)C16H11N5O4Fe


ΔHf: -115.1 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 CHARGE=-2 PULAY PM7
Fe(CO)4(2-)
 H=-115.1 HR=PW91D
 Fe     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.66968213 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.19846099 +1  176.4467992 +1  180.0000000 +0     2     1     0
  C     1.66920029 +1  144.7001595 +1  166.9982296 +1     1     2     3
  C     1.67025444 +1   95.3737190 +1  106.4744473 +1     1     2     4
  C     1.66970904 +1   95.0832449 +1  146.3954594 +1     1     2     5
  O     1.19834882 +1  165.9365292 +1 -175.0458114 +1     4     2     1
  O     1.19843959 +1  136.4433123 +1  174.6262479 +1     5     2     1
  O     1.19840325 +1  136.2423842 +1 -175.0593107 +1     6     2     1