nitromethane
     7
  -0.5250000  -0.7550000   0.5870000  -1.8330000  -0.9730000  -0.0160000
  -2.3090000  -0.0740000  -0.7440000  -2.4130000  -2.0590000   0.2080000
  -0.6730000  -0.2750000   1.5560000   0.0550000  -0.1140000  -0.0780000
  -0.0390000  -1.7250000   0.7080000