mirror of
https://github.com/pfloos/quack
synced 2024-11-19 04:22:39 +01:00
5 lines
217 B
Plaintext
5 lines
217 B
Plaintext
|
3
|
||
|
|
\ce{HPS},^1A^\prime,CC3,aug-cc-pVTZ
|
||
|
|
H -1.35616985 0.00000000 1.25042461
|
||
|
|
P 0.04823017 0.00000000 0.96611112
|
||
|
|
S 0.04205367 0.00000000 -0.98309574
|