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79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -5.440 -5.402 -5.386 -5.314 -5.283 -5.243 -5.181 -4.958 -4.919 -4.756 -1.659 -1.634 -1.252 -1.196 -1.083 -0.837 -0.746 -0.452 -0.358 -0.255 A A A A A A A A A A A A A A A A A A A A 0.00000000036157 0.00014101941576 0.00010185340348 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 H H O Mo O O O O O O O O O O O O O Mo O Mo O Mo O O H H H H 0.3368 0.2931 -0.9349 2.1524 -0.9614 -0.8986 -0.8859 -0.8395 -0.8943 -0.9716 -0.8056 -0.9177 -0.8640 -0.8657 -0.8525 -0.9088 -0.8210 1.9958 -0.9478 2.0046 -0.8870 1.9875 -0.9209 -0.9358 0.2813 0.3512 0.3478 0.3624 0.5369 0.5613 1.9521 2.0460 1.9503 1.9607 1.8764 1.9542 1.9548 1.9506 1.8300 1.9598 1.8736 1.9549 1.9509 1.9571 1.8261 1.9894 1.9499 2.0360 1.9595 1.9859 1.9512 1.9585 0.5877 0.5052 0.5167 0.5023 0.1263 0.1455 4.9586 6.1232 4.9847 4.9101 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(NO TITLE) *** -6 -8.04134819 -8.04123253 -8.04091444 -8.04137397 -8.03952902 -8.04086413 -8.04076023 -8.04184065 -8.04138926 -8.04144086 -8.04120459 -8.04138373 -8.04135183 -8.04141139 GEOMETRY CONVERGED