34 
IF21a molec optimized by CAM-B3LYPp2p, SG=mm2y
  C         0.69556900    -2.03168159     0.00000000
  C         1.38067000    -0.81944259     0.00000000
  C         0.68989700     0.40470441     0.00000000
  C         1.66612100     1.55667041     0.00000000
  C         3.00546100     0.85503641     0.00000000
  C         4.28081000     1.39468541     0.00000000
  C         5.37859000     0.53596941     0.00000000
  C         5.19654300    -0.84554859     0.00000000
  C         3.91728000    -1.39185959     0.00000000
  C         2.82178900    -0.53605559     0.00000000
  C        -0.69556900    -2.03168159     0.00000000
  C        -1.38067000    -0.81944259     0.00000000
  C        -0.68989700     0.40470441     0.00000000
  C        -1.66612100     1.55667041     0.00000000
  C        -3.00546100     0.85503641     0.00000000
  C        -4.28081000     1.39468541     0.00000000
  C        -5.37859000     0.53596941     0.00000000
  C        -5.19654300    -0.84554859     0.00000000
  C        -3.91728000    -1.39185959     0.00000000
  C        -2.82178900    -0.53605559     0.00000000
  H         1.23910700    -2.97185359     0.00000000
  H         4.42826800     2.47123541     0.00000000
  H         6.38355800     0.94665741     0.00000000
  H         6.06152600    -1.50176859     0.00000000
  H         3.78118300    -2.46942359     0.00000000
  H        -1.23910700    -2.97185359     0.00000000
  H        -4.42826800     2.47123541     0.00000000
  H        -6.38355800     0.94665741     0.00000000
  H        -6.06152600    -1.50176859     0.00000000
  H        -3.78118300    -2.46942359     0.00000000
  H         1.54048500     2.20133741     0.87914200
  H         1.54048500     2.20133741    -0.87914200
  H        -1.54048500     2.20133741     0.87914200
  H        -1.54048500     2.20133741    -0.87914200
