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61.8031 62.2029 62.5110 62.5801 62.6246 65.0065 65.0687 65.0808 65.2720 65.3987 65.4822 66.0703 66.4751 66.4990 66.5735 66.7050 66.7956 67.5293 68.7851 68.8833 71.8046 73.6593 73.7729 74.3911 74.5380 74.7396 76.3067 76.5387 76.7226 77.1545 77.6909 77.7438 78.4943 78.6594 78.9135 79.2082 79.2193 87.1631 104.5989 104.6210 105.4941 105.5767 106.4823 108.5157 108.9920 109.2772 109.3183 113.0472 113.6025 113.7596 114.9490 115.0504 115.4428 116.8831 116.9662 117.6288 118.1967 118.7160 118.7536 118.7803 118.9093 119.0337 119.1570 119.5578 119.6443 119.6653 119.6921 120.0437 121.3768 122.5746 123.0977 124.0408 124.2537 124.4766 124.5414 124.5714 127.4650 127.5973 127.7073 127.7220 127.9046 127.9382 129.1293 129.3311 130.4357 130.5345 130.8434 130.9333 131.2966 131.5972 131.7585 131.9665 132.5615 132.7146 133.0947 133.6937 134.9587 135.1091 135.1365 135.4381 135.7744 135.9132 136.4231 136.5030 136.9370 137.2783 138.0154 138.1035 141.1849 141.4005 142.5859 142.6177 143.3448 143.4198 144.0134 144.2807 149.5387 151.4624 152.9077 153.2229 156.1544 157.6255 157.9501 163.3176 163.4898 166.0866 168.7714 169.5274 188.5144 190.2620 190.6472 212.8354 214.1760 214.4491 215.0476 216.0441 216.1552 218.6970 218.7628 218.8306 218.9910 219.8954 221.2768 228.6993 239.4431 239.5892 239.6249 239.6875 239.8526 920.3556 925.4973 925.5236 926.0214 926.0598 926.3546 927.6182 936.4700 936.7816 937.0971 937.3050 937.6565 948.9164 949.1161 950.3902 960.0060 960.4037 960.9693 988.5811 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 O V V V V V V O O O O O O O O O O O O O O O O O O -1.1360 1.7064 1.7133 1.7064 1.7133 1.7099 1.7099 -0.9422 -0.9410 -0.9422 -0.9410 -0.9480 -0.9456 -0.9480 -0.9456 -0.9360 -0.9390 -0.9360 -0.9390 -0.9728 -0.9674 -0.9728 -0.9674 -0.9697 -0.9697 1.9022 2.0342 2.0314 2.0342 2.0314 2.0329 2.0329 1.9385 1.9391 1.9385 1.9391 1.9373 1.9380 1.9373 1.9380 1.9400 1.9393 1.9400 1.9393 1.9439 1.9443 1.9439 1.9443 1.9442 1.9442 5.2059 6.2151 6.2146 6.2151 6.2146 6.2150 6.2150 4.9802 4.9791 4.9802 4.9791 4.9873 4.9846 4.9873 4.9846 4.9730 4.9764 4.9730 4.9764 5.0102 5.0044 5.0102 5.0044 5.0069 5.0069 0.0279 3.0443 3.0407 3.0443 3.0407 3.0422 3.0422 0.0235 0.0228 0.0235 0.0228 0.0235 0.0230 0.0235 0.0230 0.0230 0.0233 0.0230 0.0233 0.0186 0.0187 0.0186 0.0187 0.0186 0.0186 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 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 16 17 18 19 20 21 22 23 24 25 O V V V V V V O O O O O O O O O O O O O O O O O O -1.115466 2.033999 2.038384 2.033999 2.038384 2.036689 2.036689 -1.053208 -1.053775 -1.053208 -1.053775 -1.057244 -1.054285 -1.057244 -1.054285 -1.049569 -1.053194 -1.049569 -1.053194 -1.079414 -1.074368 -1.079414 -1.074368 -1.076281 -1.076281 -0.395933 1.642491 1.643246 1.642491 1.643246 1.643094 1.643094 -0.941237 -0.946418 -0.941237 -0.946418 -0.943327 -0.942477 -0.943327 -0.942477 -0.942939 -0.945158 -0.942939 -0.945158 -1.025228 -1.021225 -1.025228 -1.021225 -1.022854 -1.022854 -0.581668 1.711901 1.708081 1.711901 1.708081 1.710983 1.710983 -0.980513 -0.983133 -0.980513 -0.983133 -0.987132 -0.983123 -0.987132 -0.983123 -0.976097 -0.981333 -0.976097 -0.981333 -0.987873 -0.978250 -0.987873 -0.978250 -0.982676 -0.982676 0.00000000 0.00000000 0.00000000 0.00000000 0.79381251 -0.49351201 1.17155949 -1.19608438 0.98392543 0.40227187 -143.5727 197.5035 33.6179 -213.1265 -99.3507 -224.9285 Sep08-2020 16:06:22 Nodes: 1 Procs: 1 Sep08-2020 16:06:23 Nodes: 1 Procs: 1 0 Sep08-2020 16:06:24 Nodes: 1 Procs: 1 Sep08-2020 16:06:24 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Sep08-2020 16:06:25 Nodes: 1 Procs: 28 *** (NO TITLE) *** -8 -8.24163523 -8.25078650 -8.26225416 -8.26374702 -8.26513306 -8.26538050 -8.26560813 -8.26566648 -8.26574176 -8.26580631 -8.26585301 -8.26589681 -8.26597188 GEOMETRY CONVERGED