7 
propyne molec optimized by B3LYPp2p, SG=3mzy, CO=[13,ca=[1],pa=[4],sa=[7],det=1]
  C         0.00000000     0.00000000     0.00000000
  C        -1.20716100     0.00000000     0.00000000
  H        -2.27322100     0.00000000     0.00000000
  C         1.46027600     0.00000000     0.00000000
  H         1.85690900    -0.88534406    -0.51115363
  H         1.85690900     0.88534406    -0.51115363
  H         1.85690900     0.00000000     1.02230726
