10
1
mirror of https://github.com/pfloos/quack synced 2024-11-05 13:43:51 +01:00
QuAcK/examples/molecule.HNO++

7 lines
218 B
Plaintext

# nAt nEla nElb nCore nRyd
3 7 7 0 0
# Znuc x y z
H 1.18163475 0.00000000 -1.17386890
N -0.44776863 0.00000000 -0.03589263
O 0.21099695 0.00000000 2.15462460