# nAt nEla nElb nCore nRyd
 4    17    16   0     0
# Znuc   x            y           z
P 0.00000000 1.81994516 -0.10769248
S 0.00000000 -1.93707861 0.02086846
H 2.03762554 2.75934101 1.32385757
H -2.03762554 2.75934101 1.32385757