QUESTDB_website/static/data/structures/QUEST4/hps.xyz

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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
Add geometries for QUEST#4 2020-08-31 17:22:15 +02:00			`3`
Add molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`\ce{HPS},^1A^\prime,CC3,aug-cc-pVTZ`
Add geometries for QUEST#4 2020-08-31 17:22:15 +02:00			`H -1.35616985 0.00000000 1.25042461`
			`P 0.04823017 0.00000000 0.96611112`
			`S 0.04205367 0.00000000 -0.98309574`