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

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\ce{HCP},^1\Sigma^+,CC3,aug-cc-pVTZ
H 0.00000000 0.00000000 -2.13306279
C 0.00000000 0.00000000 -1.06730620
P 0.00000000 0.00000000 0.48367655