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21 lines
1.1 KiB
Plaintext
21 lines
1.1 KiB
Plaintext
19
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Dipeptide,^1A^\prime,MP2,6-31G*
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C 2.11748020 -0.93830732 0.00000000
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C 2.53494648 -2.39340024 0.00000000
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C 0.24336346 0.61144454 0.00000000
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C -1.27658439 0.52128604 0.00000000
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C -3.37950625 1.75670168 0.00000000
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O 2.92167150 -0.00000119 0.00000000
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O -1.87333327 -0.56198592 0.00000000
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N 0.77380477 -0.72462802 0.00000000
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N -1.92766488 1.70970815 0.00000000
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H 0.08848387 -1.47285594 0.00000000
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H 2.14911484 -2.90762062 0.88500898
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H 2.14911484 -2.90762062 -0.88500898
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H 3.62332219 -2.44082160 0.00000000
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H 0.59001204 1.17003784 0.87946621
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H 0.59001204 1.17003784 -0.87946621
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H -1.39757474 2.57026151 0.00000000
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H -3.77978350 1.25800341 0.88555230
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H -3.77978350 1.25800341 -0.88555230
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H -3.69262109 2.80082247 0.00000000 |