61 
spirobiIF21bO molec optimized by CAM-B3LYPp2p, SG=2
  C         0.00000000     0.00000000     0.00000000
  C         0.18445334    -1.26418535     0.83191400
  C        -0.66023492    -1.79728024     1.79051600
  C        -0.28721934    -2.97656325     2.43091200
  C         0.91396837    -3.60905155     2.11306600
  C         1.76295723    -3.07406016     1.15044300
  C         1.39088579    -1.89693568     0.51121600
  C         2.07149336    -1.11219333    -0.52665500
  C         3.29455063    -1.33556884    -1.16361800
  C         3.69428967    -0.41413930    -2.11520800
  C         4.91230110    -0.35434891    -2.96039800
  C         6.00541035    -1.19760541    -3.05137900
  C         7.01940648    -0.87600902    -3.95798400
  C         6.94231567     0.26242290    -4.75511800
  C         5.83931183     1.11296317    -4.66306000
  C         4.84127840     0.78996767    -3.76601500
  C         3.56685223     1.51536111    -3.46827000
  C         2.89003940     0.69784380    -2.41656400
  C         1.67749859     0.92491926    -1.79085700
  C         1.27516976     0.00000000    -0.83622400
  O         3.17059690     2.54447299    -3.97041700
  H        -1.59626270    -1.30599463     2.03875100
  H        -0.93871776    -3.40798528     3.18433800
  H         1.18824549    -4.52811312     2.62135800
  H         2.69729385    -3.57016559     0.90507100
  H         3.90320897    -2.20070774    -0.91760700
  H         6.08277922    -2.09043884    -2.43832200
  H         7.88352944    -1.52806989    -4.04148300
  H         7.74440795     0.48714832    -5.45074100
  H         5.75554219     2.00629441    -5.27397200
  H         1.07799959     1.79374973    -2.04583600
  C        -0.18445334     1.26418535     0.83191400
  C         0.66023492     1.79728024     1.79051600
  C         0.28721934     2.97656325     2.43091200
  C        -0.91396837     3.60905155     2.11306600
  C        -1.76295723     3.07406016     1.15044300
  C        -1.39088579     1.89693568     0.51121600
  C        -2.07149336     1.11219333    -0.52665500
  C        -3.29455063     1.33556884    -1.16361800
  C        -3.69428967     0.41413930    -2.11520800
  C        -4.91230110     0.35434891    -2.96039800
  C        -6.00541035     1.19760541    -3.05137900
  C        -7.01940648     0.87600902    -3.95798400
  C        -6.94231567    -0.26242290    -4.75511800
  C        -5.83931183    -1.11296317    -4.66306000
  C        -4.84127840    -0.78996767    -3.76601500
  C        -3.56685223    -1.51536111    -3.46827000
  C        -2.89003940    -0.69784380    -2.41656400
  C        -1.67749859    -0.92491926    -1.79085700
  C        -1.27516976    -0.00000000    -0.83622400
  O        -3.17059690    -2.54447299    -3.97041700
  H         1.59626270     1.30599463     2.03875100
  H         0.93871776     3.40798528     3.18433800
  H        -1.18824549     4.52811312     2.62135800
  H        -2.69729385     3.57016559     0.90507100
  H        -3.90320897     2.20070774    -0.91760700
  H        -6.08277922     2.09043884    -2.43832200
  H        -7.88352944     1.52806989    -4.04148300
  H        -7.74440795    -0.48714832    -5.45074100
  H        -5.75554219    -2.00629441    -5.27397200
  H        -1.07799959    -1.79374973    -2.04583600
