10
1
mirror of https://github.com/pfloos/quack synced 2024-12-22 20:34:46 +01:00
QuAcK/mol/hps.xyz
2020-10-12 14:30:00 +02:00

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