mirror of
https://github.com/pfloos/quack
synced 2024-08-08 05:20:29 +02:00
12 lines
375 B
Plaintext
12 lines
375 B
Plaintext
|
# nAt nEla nElb nCore nRyd
|
||
|
|
8 12 11 0 0
|
||
|
|
# Znuc x y z
|
||
|
|
C 0.00000000 0.00000000 0.83050732
|
||
|
|
C 0.00000000 2.30981224 -0.38722841
|
||
|
|
C 0.00000000 -2.30981224 -0.38722841
|
||
|
|
H 0.00000000 0.00000000 2.87547067
|
||
|
|
H 0.00000000 4.06036949 0.65560561
|
||
|
|
H 0.00000000 -4.06036949 0.65560561
|
||
|
|
H 0.00000000 2.41059890 -2.42703281
|
||
|
|
H 0.00000000 -2.41059890 -2.42703281
|