Accuracy

fe(co)4(c2h4)   3359 Fe(CO)4(C2H4)

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    #  Species Formula
  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
  3367 Fe(CO)5 (FOJBOV) (Geo)C5O5Fe
  3368 Fe(CO)5 (FOJBOV)C5O5Fe
  3369 FeCp(CO)2(NO3) (CNOFEA) (Geo)C7H5NO5Fe


ΔHf: -129.2 kcal/mol,     REF: G.Pilcher and H. A. Skinner, The Chemistry of the Metal-Carbon Bond, F. R. Hartley and S. Patai, Eds., Wiley, New York, pp. 43-90 (1982).
Dipole: 1.5 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
  
 PULAY SHIFT=80 PM7
Fe(CO)4(C2H4)
 HR=PS1982 DR=MCC1974 D=1.5 H=-129.2
 Fe     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.98456928 +1    0.0000000 +0    0.0000000 +0     1     0     0
 XX     1.00000000 +0   90.0000000 +0    0.0000000 +0     1     2     0
  C     1.63882463 +1   79.9331220 +1  179.7888548 +1     3     1     2
  C     1.82345066 +1   86.9610729 +1   89.2203254 +1     1     2     3
  C     1.76365024 +1  111.5203336 +1 -179.6122380 +1     1     2     3
  C     1.82343788 +1   86.9560135 +1  -88.2771577 +1     1     2     3
  O     1.15488943 +1  148.5574783 +1  179.9444095 +1     4     3     1
  O     1.14495228 +1  179.6990384 +1  156.1511198 +1     5     1     2
  O     1.15475995 +1  177.6756694 +1 -179.7357689 +1     6     1     2
  O     1.14495808 +1  179.6635798 +1 -155.9803015 +1     7     1     2
  C     1.50535151 +1   67.7459241 +1   -0.4754645 +1     2     1     3
  H     1.08364734 +1  121.2164577 +1 -111.0366063 +1     2     1     3
  H     1.08373745 +1  121.2185617 +1  110.1667054 +1     2     1     3
  H     1.08362306 +1  118.3221829 +1  114.5504783 +1    12     2     1
  H     1.08360469 +1  118.3051333 +1 -114.5438616 +1    12     2     1