pentanenitrile
    15
   0.7260000   2.8960000   5.1050000   0.1480000   0.9340000   0.5520000
   0.5470000   1.6540000   4.3410000   0.2520000   0.6530000   2.0420000
   0.4020000   1.9430000   2.8480000   0.8680000   3.8760000   5.7100000
   1.0290000   1.4760000   0.1930000   0.0750000  -0.0040000  -0.0070000
  -0.7400000   1.5340000   0.3270000  -0.3420000   1.1270000   4.7060000
   1.4050000   0.9940000   4.5110000  -0.6430000   0.1110000   2.3700000
   1.1120000  -0.0020000   2.2250000  -0.4710000   2.5870000   2.6770000
   1.2780000   2.5000000   2.4910000