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68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 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 -6.649 -6.509 -6.343 -6.300 -6.255 -6.151 -6.127 -5.960 -5.848 -5.683 -1.673 -1.511 -1.197 -1.007 -0.730 -0.675 -0.406 -0.302 0.113 0.293 A A A A A A A A A A A A A A A A A A A A 0.00000000017500 0.00012050699623 0.00012385168837 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 W O W W O O O O O O O O O O H 2.3247 -0.8382 2.3054 2.2504 -0.8703 -0.8587 -0.9437 -0.8904 -1.0004 -0.8554 -1.1610 -0.8716 -1.0064 -0.8941 0.3098 2.1275 1.8740 2.1163 2.1347 1.9521 1.9536 1.9413 1.9506 1.9349 1.9545 1.9190 1.9518 1.9352 1.9481 0.5169 6.1344 4.9343 6.1416 6.1524 4.8866 4.8727 4.9722 4.9084 5.0329 4.8689 5.2053 4.8884 5.0399 4.9162 0.1733 3.3867 0.0299 3.4097 3.4355 0.0317 0.0324 0.0302 0.0314 0.0326 0.0320 0.0367 0.0315 0.0313 0.0298 0.0000 14.0268 0.0000 14.0270 14.0270 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 W O W W O O O O O O O O O O H 2.421235 -0.683419 2.391671 2.390457 -0.928504 -0.913734 -0.889633 -0.945321 -0.999786 -0.909679 -1.059381 -0.931781 -1.012821 -0.962030 0.032726 1.918710 -0.817612 1.890010 1.901965 -0.829143 -0.801451 -0.848657 -0.842400 -0.845989 -0.798988 -0.633296 -0.828487 -0.864727 -0.872623 0.272688 2.146985 -0.753810 2.068482 2.110313 -0.844732 -0.845015 -0.870109 -0.864275 -0.884592 -0.849442 -1.000245 -0.843601 -0.906074 -0.900565 0.236682 -166.30908467 -161.22152718 -43.57964941 235.69106540 -739.98455718 -2068.70488983 -564.43667370 -542.36864069 -545.66199478 1282.35319787 -96.3801 121.2115 -24.7524 -118.2882 -15.1430 -133.3523 Oct21-2020 11:13:24 Nodes: 1 Procs: 1 Oct21-2020 11:13:24 Nodes: 1 Procs: 1 0 Oct21-2020 11:13:25 Nodes: 1 Procs: 1 Oct21-2020 11:13:25 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Oct21-2020 11:13:25 Nodes: 1 Procs: 1 Oct21-2020 11:13:26 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Oct21-2020 11:13:28 Nodes: 1 Procs: 28 *** (NO TITLE) *** -3 -4.89704793 -4.89828403 -4.89903076 -4.89941094 -4.89970371 -4.90007163 -4.90028461 -4.90046248 -4.90050245 -4.90051033 -4.90051598 -4.90052368 -4.90052878 -4.90053880 -4.90054793 -4.90056771 -4.90057211 -4.90059667 -4.90061033 -4.90060731 GEOMETRY CONVERGED