34 
IF21a molec optimized by CAM-B3LYPa3p, SG=mm2y
  C         0.69273500    -2.02535929     0.00000000
  C         1.37580100    -0.81730429     0.00000000
  C         0.68766700     0.40203571     0.00000000
  C         1.66084100     1.55020071     0.00000000
  C         2.99597800     0.85127671     0.00000000
  C         4.26632200     1.39007771     0.00000000
  C         5.36043700     0.53579671     0.00000000
  C         5.18008900    -0.84062929     0.00000000
  C         3.90647900    -1.38596229     0.00000000
  C         2.81351300    -0.53454029     0.00000000
  C        -0.69273500    -2.02535929     0.00000000
  C        -1.37580100    -0.81730429     0.00000000
  C        -0.68766700     0.40203571     0.00000000
  C        -1.66084100     1.55020071     0.00000000
  C        -2.99597800     0.85127671     0.00000000
  C        -4.26632200     1.39007771     0.00000000
  C        -5.36043700     0.53579671     0.00000000
  C        -5.18008900    -0.84062929     0.00000000
  C        -3.90647900    -1.38596229     0.00000000
  C        -2.81351300    -0.53454029     0.00000000
  H         1.23408200    -2.96268529     0.00000000
  H         4.41350000     2.46321471     0.00000000
  H         6.36202400     0.94518671     0.00000000
  H         6.04340700    -1.49307729     0.00000000
  H         3.77333400    -2.46028029     0.00000000
  H        -1.23408200    -2.96268529     0.00000000
  H        -4.41350000     2.46321471     0.00000000
  H        -6.36202400     0.94518671     0.00000000
  H        -6.04340700    -1.49307729     0.00000000
  H        -3.77333400    -2.46028029     0.00000000
  H         1.53657500     2.19102471     0.87726400
  H         1.53657500     2.19102471    -0.87726400
  H        -1.53657500     2.19102471     0.87726400
  H        -1.53657500     2.19102471    -0.87726400
