# nAt nEla nElb nCore nRyd
 4   5     4   0     0
# Znuc   x            y           z
C 0.00000000 0.00000000 0.00000000
H 0.00000000 0.00000000 2.03379507
H 0.00000000 1.76131924 -1.01689753
H 0.00000000 -1.76131924 -1.01689753