10
1
mirror of https://github.com/pfloos/quack synced 2024-11-04 21:23:55 +01:00
QuAcK/examples/molecule.H2O
2020-01-17 13:45:02 +01:00

7 lines
217 B
Plaintext

# nAt nEla nElb nCore nRyd
3 5 5 0 0
# Znuc x y z
O. 0. 0. 0.
H -1.430428706 0. -1.107156965
H 1.430428706 0. -1.107156965