mirror of
https://github.com/pfloos/quack
synced 2024-06-01 10:55:28 +02:00
20 lines
1.1 KiB
Plaintext
20 lines
1.1 KiB
Plaintext
18
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Naphthalene,^1A_g,CC3/cc-pVTZ
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C 0.00000000 0.70909494 0.00000000
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C 0.00000000 -0.70909494 0.00000000
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C 1.23710973 1.39618950 0.00000000
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C -1.23710973 1.39618950 0.00000000
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C 1.23710973 -1.39618950 0.00000000
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C -1.23710973 -1.39618950 0.00000000
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C 2.42344619 0.70691221 0.00000000
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C -2.42344619 0.70691221 0.00000000
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C 2.42344619 -0.70691221 0.00000000
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C -2.42344619 -0.70691221 0.00000000
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H 1.23239147 2.47628164 0.00000000
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H -1.23239147 2.47628164 0.00000000
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H 1.23239147 -2.47628164 0.00000000
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H -1.23239147 -2.47628164 0.00000000
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H 3.35966148 1.24119417 0.00000000
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H -3.35966148 1.24119417 0.00000000
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H 3.35966148 -1.24119417 0.00000000
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H -3.35966148 -1.24119417 0.00000000 |