112_trichloroethane
     8
  -0.3100000  -0.9810000   0.3740000   0.3110000  -2.0960000  -0.4640000
  -2.0930000  -1.0020000   0.3820000  -0.1400000  -1.9650000  -2.1820000
  -0.1100000  -3.7100000   0.1610000   0.0180000  -1.0560000   1.4160000
  -0.0000000   0.0000000   0.0000000   1.4010000  -2.0170000  -0.4190000