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16 lines
599 B
Plaintext
16 lines
599 B
Plaintext
14
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Hexatriene,^1A_g,CCSD(T),aug-cc-pVTZ
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C -0.0001310 0.6729979 0.0000000
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C 0.0001310 -0.6729979 0.0000000
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C 1.2017199 1.4805689 0.0000000
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C -1.2017199 -1.4805689 0.0000000
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C 1.2017199 2.8212388 0.0000000
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C -1.2017199 -2.8212388 0.0000000
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H -0.9492399 1.2000629 0.0000000
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H 0.9492399 -1.2000629 0.0000000
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H 2.1457369 0.9483699 0.0000000
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H -2.1457369 -0.9483699 0.0000000
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H 0.2740430 3.3784027 0.0000000
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H -0.2740430 -3.3784027 0.0000000
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H 2.1225609 3.3850807 0.0000000
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H -2.1225609 -3.3850807 0.0000000 |