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https://github.com/pfloos/quack
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5 lines
213 B
Plaintext
5 lines
213 B
Plaintext
3
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\ce{CCl2},^1A_1,CC3,aug-cc-pVTZ
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C 0.00000000 0.00000000 -0.85155553
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Cl 0.00000000 1.40422788 0.14606856
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Cl 0.00000000 -1.40422788 0.14606856 |