37 
porphineFe molec optimized by CAM-B3LYPp2p, SG=4/mmm
  N         0.00000000     1.96758400     0.00000000
  C         1.08867100     2.80719300     0.00000000
  C         0.67531100     4.18210600     0.00000000
  C        -0.67531100     4.18210600     0.00000000
  C        -1.08867100     2.80719300     0.00000000
  H         1.35549800     5.02306700     0.00000000
  H        -1.35549800     5.02306700     0.00000000
  C        -2.40408100     2.40408100     0.00000000
  H        -3.17068800     3.17068800     0.00000000
  N        -1.96758400     0.00000000     0.00000000
  C        -2.80719300     1.08867100     0.00000000
  C        -4.18210600     0.67531100     0.00000000
  C        -4.18210600    -0.67531100     0.00000000
  C        -2.80719300    -1.08867100     0.00000000
  H        -5.02306700     1.35549800     0.00000000
  H        -5.02306700    -1.35549800     0.00000000
  C        -2.40408100    -2.40408100     0.00000000
  H        -3.17068800    -3.17068800     0.00000000
  N        -0.00000000    -1.96758400     0.00000000
  C        -1.08867100    -2.80719300     0.00000000
  C        -0.67531100    -4.18210600     0.00000000
  C         0.67531100    -4.18210600     0.00000000
  C         1.08867100    -2.80719300     0.00000000
  H        -1.35549800    -5.02306700     0.00000000
  H         1.35549800    -5.02306700     0.00000000
  C         2.40408100    -2.40408100     0.00000000
  H         3.17068800    -3.17068800     0.00000000
  N         1.96758400     0.00000000     0.00000000
  C         2.80719300    -1.08867100     0.00000000
  C         4.18210600    -0.67531100     0.00000000
  C         4.18210600     0.67531100     0.00000000
  C         2.80719300     1.08867100     0.00000000
  H         5.02306700    -1.35549800     0.00000000
  H         5.02306700     1.35549800     0.00000000
  C         2.40408100     2.40408100     0.00000000
  H         3.17068800     3.17068800     0.00000000
  Fe        0.00000000     0.00000000     0.00000000
