mirror of
https://github.com/pfloos/quack
synced 2024-06-19 19:52:17 +02:00
10 lines
302 B
Plaintext
10 lines
302 B
Plaintext
# nAt nEla nElb nCore nRyd
|
|
6 15 15 0 0
|
|
# Znuc x y z
|
|
C 1.21360282 0.75840215 0.00000000
|
|
C -1.21360282 -0.75840215 0.00000000
|
|
O 3.25581408 -0.26453186 0.00000000
|
|
O -3.25581408 0.26453186 0.00000000
|
|
H 0.96135276 2.81883243 0.00000000
|
|
H -0.96135276 -2.81883243 0.00000000
|