121  121  800    1
  0.1217313E+02  0.1137791E-08  0.1137791E-08  0.1137791E-08  0.5000000E-15
  1.000000000000000E-004
  CAR 
 strcuture opt. SiCO V1 Si33C6O61H21     
    543      8    332