27 
OPDBDTNi molec optimized by CAM-B3LYPa3p, SG=mm2x
  C        -5.03944952     0.71722700     0.00000000
  C        -5.03944952    -0.71722700     0.00000000
  C        -3.88835052     1.42413200     0.00000000
  C        -3.88835052    -1.42413200     0.00000000
  C        -2.64236752     0.72596600     0.00000000
  C        -2.64236752    -0.72596600     0.00000000
  N        -1.43973352     1.23601000     0.00000000
  N        -1.43973352    -1.23601000     0.00000000
  H        -5.98954652     1.23410900     0.00000000
  H        -5.98954652    -1.23410900     0.00000000
  H        -3.88919752     2.50635200     0.00000000
  H        -3.88919752    -2.50635200     0.00000000
  H        -1.37490352     2.24686400     0.00000000
  H        -1.37490352    -2.24686400     0.00000000
  C         5.34288148    -0.69834300     0.00000000
  C         5.34288148     0.69834300     0.00000000
  C         4.15501848    -1.38981100     0.00000000
  C         4.15501848     1.38981100     0.00000000
  C         2.93896248    -0.69914300     0.00000000
  C         2.93896248     0.69914300     0.00000000
  S         1.41950948    -1.53400300     0.00000000
  S         1.41950948     1.53400300     0.00000000
  H         6.28024148    -1.23864400     0.00000000
  H         6.28024148     1.23864400     0.00000000
  H         4.14733248    -2.47206200     0.00000000
  H         4.14733248     2.47206200     0.00000000
  Ni       -0.04079452     0.00000000     0.00000000
