Individual Molecules (Home)

3366 Fe(CO)4H2

# Species Formula

3356 Fe(OH)2 H2O2Fe

3357 Methyl iron(III) dihydroxide (Geo) CH5O2Fe

3358 FeCp(CO)2(CN) (ACODUR) (Geo) C8H5NO2Fe

3359 FeCp(CO)2(CN) (ACODUR) C8H5NO2Fe

3360 FeCp(CO)2(MECN)(+) (CPACFE) (Geo) C9H8NO2Fe

3361 FeCp(CO)2(MECN)(+) (CPACFE) C9H8NO2Fe

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)4H2 C4H2O4Fe

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 FeN3O2 C16H11N5O4Fe

3375 FeN3O2 (Geo) C16H11N5O4Fe

3376 Fe(CO)5 (FOJBOV) (Geo) C5O5Fe

DH_f: -131.0 kcal/mol, REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).

  
 SYMMETRY PULAY UHF
Fe(CO)4H2
 HR=JANAF86 H=-131.0
 Fe         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
  C         1.81212276 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  C         1.81212276 +0   90.0000000 +0    0.0000000 +0    1    2    0       0.0000
  C         1.81212276 +0  180.0000000 +0    0.0000000 +0    1    2    3       0.0000
  C         1.81212276 +0   90.0000000 +0  180.0000000 +0    1    2    3       0.0000
  O         1.17875934 +1  180.0000000 +0    0.0000000 +0    2    1    3       0.0000
  O         1.17875934 +0  180.0000000 +0    0.0000000 +0    3    1    2       0.0000
  O         1.17875934 +0  180.0000000 +0    0.0000000 +0    4    1    3       0.0000
  O         1.17875934 +0  180.0000000 +0    0.0000000 +0    5    1    2       0.0000
  H         0.96983966 +1   90.0000000 +0   90.0000000 +0    1    2    3       0.0000
  H         0.96983966 +0   90.0000000 +0  -90.0000000 +0    1    2    3       0.0000