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https://github.com/pfloos/quack
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10 lines
525 B
Plaintext
10 lines
525 B
Plaintext
8
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Methylenecyclopropene,^1A_1,CC3,aug-cc-pVTZ
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C 0.00000000 0.00000000 0.28317798
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C 0.00000000 0.00000000 1.61261370
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C 0.00000000 0.66169883 -0.99787773
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C 0.00000000 -0.66169883 -0.99787773
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H 0.00000000 1.57106116 -1.56779476
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H 0.00000000 -1.57106116 -1.56779476
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H 0.00000000 0.92783298 2.16226244
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H 0.00000000 -0.92783298 2.16226244 |