acetonitrile
     6
  -0.2060000   1.4710000   1.5040000   0.4480000   0.2840000   0.9570000
  -0.7250000   2.4140000   1.9390000  -0.2830000  -0.5070000   0.7620000
   1.1930000  -0.1070000   1.6570000   0.9550000   0.5180000   0.0160000