32 
IF21bO molec optimized by CAM-B3LYPp2p, SG=mm2y
  C         0.00000000    -0.67890828     0.00000000
  C         1.18552300     0.04697272     0.00000000
  C         1.17786100     1.45132672     0.00000000
  C         2.58955800     1.94342272     0.00000000
  C         3.43301300     0.70741472     0.00000000
  C         4.80798900     0.58905872     0.00000000
  C         5.35731400    -0.69436228     0.00000000
  C         4.53015300    -1.81392128     0.00000000
  C         3.13836800    -1.68737128     0.00000000
  C         2.59459800    -0.41504428     0.00000000
  C         0.00000000     2.18066572     0.00000000
  C        -1.18552300     0.04697272     0.00000000
  C        -1.17786100     1.45132672     0.00000000
  C        -2.58955800     1.94342272     0.00000000
  C        -3.43301300     0.70741472     0.00000000
  C        -4.80798900     0.58905872     0.00000000
  C        -5.35731400    -0.69436228     0.00000000
  C        -4.53015300    -1.81392128     0.00000000
  C        -3.13836800    -1.68737128     0.00000000
  C        -2.59459800    -0.41504428     0.00000000
  H         0.00000000    -1.76470628     0.00000000
  H         5.43260800     1.47670572     0.00000000
  H         6.43488600    -0.82270728     0.00000000
  H         4.97362100    -2.80483028     0.00000000
  H         2.50869100    -2.57188328     0.00000000
  H         0.00000000     3.26617672     0.00000000
  H        -5.43260800     1.47670572     0.00000000
  H        -6.43488600    -0.82270728     0.00000000
  H        -4.97362100    -2.80483028     0.00000000
  H        -2.50869100    -2.57188328     0.00000000
  O         2.96785900     3.09360472     0.00000000
  O        -2.96785900     3.09360472     0.00000000
