4
1
mirror of https://github.com/pfloos/quack synced 2024-07-04 18:36:03 +02:00
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