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quack/mol/hps.xyz
2020-10-12 14:30:00 +02:00

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\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