# nAt nEla nElb nCore nRyd
 3    8     7   0     0
# Znuc   x            y           z
H 0.00000000 -2.55038496 1.39798104
C 0.00000000 -1.17300976 -0.19046167
O 0.00000000 1.04073447 0.05480615