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3372 Fe(CO)2(NO)2

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  #           Species Formula
  3362 Cyclobutadiene iron tricarbonyl (Geo)C7H4O3Fe
  3363 Fe(CO)3(C4H6)C7H6O3Fe
  3364 Fe(CO)4(2-) (FUZHUD) (Geo)C4O4Fe
  3365 Fe(CO)4(2-)C4O4Fe
  3366 Fe(CO)4H2C4H2O4Fe
  3367 Fe(CO)4H2 (Geo)C4H2O4Fe
  3368 Fe(CO)4(C2H4)C6H4O4Fe
  3369 Fe(CO)4(C2H4) (Geo)C6H4O4Fe
  3370 Fe(II)(Acac)2 (Geo)C10H14O4Fe
  3371 Fe(CO)4(Acetonitrile)C6H3NO4Fe
  3372 Fe(CO)2(NO)2 C2N2O4Fe
  3373 Fe(CO)2(NO)2 (Geo)C2N2O4Fe
  3374 FeN3O2C16H11N5O4Fe
  3375 FeN3O2 (Geo)C16H11N5O4Fe
  3376 Fe(CO)5 (FOJBOV) (Geo)C5O5Fe
  3377 Fe(CO)5 (FOJBOV)C5O5Fe
  3378 FeCp(CO)2(NO3) (CNOFEA) (Geo)C7H5NO5Fe
  3379 FeCp(CO)2(NO3) (CNOFEA)C7H5NO5Fe
  3380 Fe(II)(H2O)4(OH)2H10O6Fe
  3381 Fe(II)(H2O)4(OH)2 (Geo)H10O6Fe
  3382 Fe(II)(H2O)5.OHH11O6Fe



DHf: -75.0 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.

  

Fe(CO)2(NO)2
 H=-75.0 HR=PW91D
  C         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
 Fe         1.75251422 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  C         1.77305566 +1   90.5633897 +1    0.0000000 +0    2    1    0       0.0000
  N         1.59568999 +1   90.8823095 +1 -101.5091338 +1    2    1    3       0.0000
  N         1.59590451 +1   90.8729029 +1 -156.6593353 +1    2    1    4       0.0000
  O         1.16341186 +1  140.2288477 +1 -179.9440125 +1    3    1    2       0.0000
  O         1.16836316 +1  138.4787477 +1 -179.9841861 +1    1    3    2       0.0000
  O         1.21326717 +1  134.2521259 +1  177.1056737 +1    5    1    2       0.0000
  O         1.21325003 +1  134.2325530 +1 -177.0273158 +1    4    1    2       0.0000