mirror of
https://github.com/pfloos/quack
synced 2024-06-21 20:52:21 +02:00
8 lines
230 B
Plaintext
8 lines
230 B
Plaintext
|
# nAt nEla nElb nCore nRyd
|
||
|
|
4 8 8 0 0
|
||
|
|
# Znuc x y z
|
||
|
|
C 0.00000000 0.00000000 -1.13947666
|
||
|
|
O 0.00000000 0.00000000 1.14402883
|
||
|
|
H 0.00000000 1.76627623 -2.23398653
|
||
|
|
H 0.00000000 -1.76627623 -2.23398653
|