mirror of https://github.com/pfloos/quack
9 lines
456 B
Plaintext
9 lines
456 B
Plaintext
7
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Cyclopropene,^1A_1,CC3,aug-cc-pVTZ
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C 0.00000000 0.00000000 -0.88277808
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C 0.00000000 0.64836859 0.47986540
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C 0.00000000 -0.64836859 0.47986540
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H 0.91153656 0.00000000 -1.47048371
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H -0.91153656 0.00000000 -1.47048371
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H 0.00000000 1.57612532 1.01642650
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H 0.00000000 -1.57612532 1.01642650 |