10
1
mirror of https://github.com/pfloos/quack synced 2024-07-04 10:26:03 +02:00
QuAcK/examples/molecule.H2

6 lines
161 B
Plaintext

# nAt nEla nElb nCore nRyd
2 1 1 0 0
# Znuc x y z
H 0. 0. -0.7
H 0. 0. +0.7