# nAt nEla nElb nCore nRyd
  6  15   15   0     0
# Znuc   x            y           z
C 1.21360282 0.75840215 0.00000000
C -1.21360282 -0.75840215 0.00000000
O 3.25581408 -0.26453186 0.00000000
O -3.25581408 0.26453186 0.00000000
H 0.96135276 2.81883243 0.00000000
H -0.96135276 -2.81883243 0.00000000