# nAt nEla nElb nCore nRyd
  4    7   7   0     0
# Znuc   x            y           z
C    0.00000000  0.00000000  +1.14048351
C    0.00000000  0.00000000  -1.14048351
H    0.00000000  0.00000000  +3.14009043
H    0.00000000  0.00000000  -3.14009043