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

fe(co)4h2r   3359 Fe(CO)4H2 (Geo)

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    #  Species Formula
  3349 Methyl iron(III) dihydroxide (Geo)CH5O2Fe
  3350 FeCp(CO)2(CN) (ACODUR) (Geo)C8H5NO2Fe
  3351 FeCp(CO)2(CN) (ACODUR)C8H5NO2Fe
  3352 FeCp(CO)2(MECN)(+) (CPACFE) (Geo)C9H8NO2Fe
  3353 FeCp(CO)2(MECN)(+) (CPACFE)C9H8NO2Fe
  3354 Cyclobutadiene iron tricarbonyl (Geo)C7H4O3Fe
  3355 Fe(CO)3(C4H6)C7H6O3Fe
  3356 Fe(CO)4(2-) (FUZHUD) (Geo)C4O4Fe
  3357 Fe(CO)4(2-)C4O4Fe
  3358 Fe(CO)4H2C4H2O4Fe
  3359 Fe(CO)4H2 (Geo) C4H2O4Fe
  3360 Fe(CO)4(C2H4)C6H4O4Fe
  3361 Fe(CO)4(C2H4) (Geo)C6H4O4Fe
  3362 Fe(CO)4(Acetonitrile)C6H3NO4Fe
  3363 Fe(CO)2(NO)2C2N2O4Fe
  3364 Fe(CO)2(NO)2 (Geo)C2N2O4Fe
  3365 bis(Pyridine)-tetra-aqua-iron(ii) (NEJBOT01) (Geo)C10H18N2O4Fe
  3366 FeN3O2C16H11N5O4Fe
  3367 FeN3O2 (Geo)C16H11N5O4Fe
  3368 Fe(CO)5 (FOJBOV) (Geo)C5O5Fe
  3369 Fe(CO)5 (FOJBOV)C5O5Fe


REF: M. Simoes and J. L. Beauchamp, Chem. Rev. 90, 629 (1990).
  
 SYMMETRY PULAY PM7
Fe(CO)4H2
 <Fe-H> <> <> <Fe-C> GR=SB1990
 Fe     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 XX     1.00000000 +0    0.0000000 +0    0.0000000 +0     1     0     0
 XX     1.00000000 +0   90.0000000 +0    0.0000000 +0     2     1     0
  H     1.55600000 +1   90.0000000 +0   90.0000000 +0     1     2     3
  H     1.55600000 +0   90.0543197 +1  -90.0000000 +0     1     2     3
  C     1.77614312 +1   89.8885033 +1   -2.5991946 +1     1     4     2
  C     1.77649562 +1   90.2632670 +1   87.4012926 +1     1     4     2
  C     1.77710109 +1   90.0043761 +1  177.4222697 +1     1     4     2
  C     1.77666084 +1   89.9550284 +1  -92.5834315 +1     1     4     2
  O     2.92815186 +1   90.0990753 +1   -2.6152173 +1     1     4     2
  O     2.92863571 +1   90.3473076 +1   87.3904216 +1     1     4     2
  O     2.92926969 +1   90.0352923 +1  177.4347925 +1     1     4     2
  O     2.92875391 +1   89.9801963 +1  -92.5911295 +1     1     4     2