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QUESTDB_website/data/structures/QUEST4/hccl.xyz
2020-11-24 18:21:58 +00:00

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\ce{HCCl},^1A^\prime,CC3,aug-cc-pVTZ
H -0.99521495 0.00000000 -0.07579894
Cl 1.20948440 0.00000000 -0.22892822
C -0.21426945 0.00000000 0.69937099