20 
BTA molec-a optimized by CAM-B3LYPp2p, SG=222
  C         1.38082600     0.00000000     0.00000000
  C         0.69993800     1.21330600    -0.01413400
  C        -0.69993800     1.21330600     0.01413400
  C        -1.38082600     0.00000000     0.00000000
  C        -0.69993800    -1.21330600    -0.01413400
  C         0.69993800    -1.21330600     0.01413400
  H         2.46929500     0.00000000     0.00000000
  N         1.35705200     2.46381800     0.00599400
  N        -1.35705200     2.46381800    -0.00599400
  H        -2.46929500     0.00000000     0.00000000
  N        -1.35705200    -2.46381800     0.00599400
  N         1.35705200    -2.46381800    -0.00599400
  H         2.35087000     2.38361500    -0.17408400
  H         0.94189900     3.10752600    -0.66233300
  H        -0.94189900     3.10752600     0.66233300
  H        -2.35087000     2.38361500     0.17408400
  H        -2.35087000    -2.38361500    -0.17408400
  H        -0.94189900    -3.10752600    -0.66233300
  H         0.94189900    -3.10752600     0.66233300
  H         2.35087000    -2.38361500     0.17408400
