# nAt nEla nElb nCore nRyd
 4   8     8   0     0
# Znuc   x            y           z
C 0.00000000 0.00000000 -1.13947666
O 0.00000000 0.00000000 1.14402883
H 0.00000000 1.76627623 -2.23398653
H 0.00000000 -1.76627623 -2.23398653