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23 lines
1.4 KiB
Text
23 lines
1.4 KiB
Text
HEADER Potassium Ion Hexaquo
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COMPND Potassium Ion aqueous
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AUTHOR Erich Vorpagel edited this file to work with NWChem
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ATOM 1 K K 1 -0.006 -0.001 0.011 1.00 0.00
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ATOM 2 OW wat 2 0.149 -0.451 -2.468 1.00 0.00
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ATOM 3 2HW wat 2 0.524 -1.275 -2.851 1.00 0.00
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ATOM 4 3HW wat 2 0.445 0.228 -3.115 1.00 0.00
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ATOM 5 OW wat 3 -0.531 2.418 -0.413 1.00 0.00
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ATOM 6 2HW wat 3 -1.062 2.774 -1.160 1.00 0.00
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ATOM 7 3HW wat 3 0.038 3.184 -0.178 1.00 0.00
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ATOM 8 OW wat 4 2.473 0.422 0.030 1.00 0.00
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ATOM 9 2HW wat 4 3.149 -0.282 -0.092 1.00 0.00
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ATOM 10 3HW wat 4 2.921 1.207 -0.354 1.00 0.00
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ATOM 11 OW wat 5 -0.287 0.513 2.440 1.00 0.00
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ATOM 12 2HW wat 5 0.112 0.027 3.195 1.00 0.00
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ATOM 13 3HW wat 5 -0.465 1.398 2.830 1.00 0.00
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ATOM 14 OW wat 6 -2.458 -0.526 0.018 1.00 0.00
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ATOM 15 2HW wat 6 -2.855 -1.397 -0.205 1.00 0.00
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ATOM 16 3HW wat 6 -3.168 0.099 -0.242 1.00 0.00
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ATOM 17 OW wat 7 0.469 -2.374 0.679 1.00 0.00
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ATOM 18 2HW wat 7 -0.089 -2.895 1.297 1.00 0.00
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ATOM 19 3HW wat 7 0.902 -3.077 0.145 1.00 0.00
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END
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