4
1
mirror of https://github.com/pfloos/quack synced 2024-12-23 04:43:53 +01:00
quack/examples/molecule.CH+
2020-06-04 13:08:31 +02:00

6 lines
165 B
Plaintext

# nAt nEla nElb nCore nRyd
2 3 3 0 0
# Znuc x y z
C 0. 0. 0.
H 0. 0. 2.13709127