32 
NDI molec-b optimized by B3LYPp2p, SG=2/m
  N        -3.53711987    -0.00562219     0.00000000
  C        -2.88967089    -1.24957929     0.00000000
  C        -2.89754155     1.24590089     0.00000000
  C        -1.40330986    -1.23575422     0.00000000
  C        -1.40941736     1.23005247     0.00000000
  C        -0.69895049    -2.42903185     0.00000000
  C        -0.71046668    -0.00137021     0.00000000
  C        -0.70895134     2.42604085     0.00000000
  C         0.70895134    -2.42604085     0.00000000
  C         0.71046668     0.00137021     0.00000000
  C         0.69895049     2.42903185     0.00000000
  C         1.40941736    -1.23005247     0.00000000
  C         1.40330986     1.23575422     0.00000000
  C         2.89754155    -1.24590089     0.00000000
  C         2.88967089     1.24957929     0.00000000
  N         3.53711987     0.00562219     0.00000000
  O        -3.53953649    -2.28441277     0.00000000
  O        -3.53491877     2.28822199     0.00000000
  O         3.53491877    -2.28822199     0.00000000
  O         3.53953649     2.28441277     0.00000000
  H        -1.25423650    -3.36095840     0.00000000
  H        -1.26766820     3.35578918     0.00000000
  H         1.26766820    -3.35578918     0.00000000
  H         1.25423650     3.36095840     0.00000000
  C        -5.00517759    -0.04178220     0.00000000
  H        -5.36072452    -0.57297802    -0.88596000
  H        -5.36072452    -0.57297802     0.88596000
  H        -5.36200049     0.98537259     0.00000000
  C         5.00517759     0.04178220     0.00000000
  H         5.36072452     0.57297802    -0.88596000
  H         5.36072452     0.57297802     0.88596000
  H         5.36200049    -0.98537259     0.00000000
