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https://github.com/pfloos/quack
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5 lines
176 B
Plaintext
5 lines
176 B
Plaintext
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3
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Carbon trimer,^1\Sigma_g^+,CC3,aug-cc-pVTZ
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C 0.00000000 0.00000000 0.00000000
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C 0.00000000 0.00000000 1.29831307
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C 0.00000000 0.00000000 -1.29831307
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