mirror of
https://github.com/pfloos/quack
synced 2024-12-23 04:43:42 +01:00
16 lines
876 B
Plaintext
16 lines
876 B
Plaintext
14
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Aza-naphthalene,^1A_g,CC3/cc-pVTZ
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C 0.00000000 0.70770032 0.00000000
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C 0.00000000 -0.70770032 0.00000000
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C 2.25666080 0.70974464 0.00000000
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C -2.25666080 0.70974464 0.00000000
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C 2.25666080 -0.70974464 0.00000000
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C -2.25666080 -0.70974464 0.00000000
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N 1.15520116 1.42251481 0.00000000
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N -1.15520116 1.42251481 0.00000000
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N 1.15520116 -1.42251481 0.00000000
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N -1.15520116 -1.42251481 0.00000000
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H 3.19442032 1.24604053 0.00000000
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H -3.19442032 1.24604053 0.00000000
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H 3.19442032 -1.24604053 0.00000000
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H -3.19442032 -1.24604053 0.00000000 |