4
1
mirror of https://github.com/pfloos/quack synced 2024-11-07 06:33:55 +01:00
quack/examples/molecule.NCO

7 lines
195 B
Plaintext
Raw Normal View History

2020-10-13 21:10:49 +02:00
# nAt nEla nElb nCore nRyd
3 11 10 0 0
# Znuc x y z
N 0.00000000 0.00000000 -2.39343558
C 0.00000000 0.00000000 -0.07238136
O 0.00000000 0.00000000 2.14968523