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https://github.com/pfloos/quack
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8 lines
302 B
Plaintext
8 lines
302 B
Plaintext
6
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Ethylene,^1A_g,CC3,aug-cc-pVTZ
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C 0.00000000 0.66690396 0.00000000
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C 0.00000000 -0.66690396 0.00000000
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H 0.00000000 1.22952195 0.92229064
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H 0.00000000 -1.22952195 0.92229064
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H 0.00000000 1.22952195 -0.92229064
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H 0.00000000 -1.22952195 -0.92229064 |