21 
ferrocene molec optimized by B3LYPp2p, SG=-5m
  Fe        0.00000000     0.00000000     0.00000000
  C         1.21424201     0.00000000     1.65580700
  C        -0.37522142    -1.15481278    -1.65580700
  C        -0.98234242     0.71371355     1.65580700
  C         0.98234242     0.71371355    -1.65580700
  C         0.37522142    -1.15481278     1.65580700
  C        -1.21424201     0.00000000    -1.65580700
  C         0.37522142     1.15481278     1.65580700
  C         0.98234242    -0.71371355    -1.65580700
  C        -0.98234242    -0.71371355     1.65580700
  C        -0.37522142     1.15481278    -1.65580700
  H         2.29654817     0.00000000     1.64137200
  H        -0.70967241    -2.18414711    -1.64137200
  H        -1.85794650     1.34987715     1.64137200
  H         1.85794650     1.34987715    -1.64137200
  H         0.70967241    -2.18414711     1.64137200
  H        -2.29654817     0.00000000    -1.64137200
  H         0.70967241     2.18414711     1.64137200
  H         1.85794650    -1.34987715    -1.64137200
  H        -1.85794650    -1.34987715     1.64137200
  H        -0.70967241     2.18414711    -1.64137200
