4
1
mirror of https://github.com/pfloos/quack synced 2024-12-22 20:35:36 +01:00
quack/examples/molecule.HCl

6 lines
157 B
HCL

# nAt nEla nElb nCore nRyd
2 9 9 0 0
# Znuc x y z
H 0. 0. 0.
Cl 0. 0. 3.2