# nAt nEla nElb nCore nRyd
 5    8     7   0     0
# Znuc   x            y           z
C 0.00000000 1.16769663 -0.04303146
C 0.00000000 -1.29945364 0.15810072
H 0.00000000 2.38429609 1.59801822
H 0.00000000 2.08759130 -1.87998309
H 0.00000000 -2.90307925 -1.08814513