mirror of https://github.com/pfloos/quack
16 lines
668 B
Plaintext
16 lines
668 B
Plaintext
5
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Ketene,^1A_1,CC3,aug-cc-pVTZ
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C 0.00000000 0.00000000 -1.29547953
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C 0.00000000 0.00000000 0.01851350
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O 0.00000000 0.00000000 1.18357846
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H 0.00000000 0.93893013 -1.81881376
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H 0.00000000 -0.93893013 -1.81881376
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5
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Ketene,^1A^\prime,CC3,aug-cc-pVTZ
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C 1.08114240 0.00000000 -0.49243496
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C 0.00212157 0.00000000 0.44202910
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O -1.18382434 0.00000000 0.24863171
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H 0.86575253 0.00000000 -1.55412662
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H 2.09666784 0.00000000 -0.14102122
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