NOSYM 0 1 ADF 2019 303 2020-02-21 x86_64_linux_intel / openmpi Jan31-2024 01:05:01 C3PLi EDA SINGLE POINT DFT 229.12159999999994 AuxInfo=1/0/N:5,7,29,27,16,18,1,12,23,4,9,31,15,26,20,10,32,21;34/E:(1,2,3,4,5,6)(7,8,9)(10,11,12,13,14,15)(16,17,18);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,10.3,11.3,12.3,13.3,14.3,15.3;/rA:34CHHC3C3HC3HC3N4HCHHC3C3HC3HC3N4HCHHC3C3HC3HC3N4HLi3/rB:s1;s1;s1;s4;s5;s5;s7;s7;s4s9;s10;s9;s12;s12;s12;s15;s16;s16;s18;s18;s15s20;s21;s20;s23;s23;s23;s26;s27;s27;s29;s1s29;s26s31;s32;s10s21s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; UNrestricted UNrestricted Point Charge Nuclei Frozen Orbital(s) /public/home/zhangzy/Sudip/rana/new/C3PLi_frag_1-neu.t21 ADF 2019.303 Sep24-2023 02:24:07 1 20 /public/home/zhangzy/Sudip/rana/new/C3PLi_frag_2-neu.t21 ADF 2019.303 Sep24-2023 02:09:56 1 20 1366.81 24.40 1397.85 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -12.036 -12.036 -11.991 -9.765 -8.856 -8.855 -8.201 -8.199 -7.215 -3.069 -0.017 0.453 0.820 0.821 1.214 1.214 1.279 1.466 1.533 1.533 -12.443 -12.013 -12.013 -11.965 -9.679 -8.786 -8.785 -8.075 -8.073 -7.160 -0.084 0.053 0.806 0.832 0.833 1.370 1.370 1.433 1.466 1.529 A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A B B B B B B B B B B B B B B B B B B B B -0.02586007513826 0.00033819868383 0.00035094660579 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 29 30 31 32 33 34 C H H C C H C H C N H C H H C C H C H C N H C H H C C H C H C N H Li 0.6712 -0.2930 -0.2197 -0.1908 -0.1130 0.0154 -0.1134 0.0157 -0.1907 0.7556 -0.4062 0.6712 -0.2198 -0.2930 -0.1875 -0.1108 0.0151 -0.1182 0.0177 -0.1891 0.7312 -0.3934 0.6753 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0.317 2.00 0.00 1 2 1 2 -22.933 1.00 28 A 99.52 0.37 27 24 A A -22.564 -23.462 2.00 2.00 1 1 1 1 -22.095 1.00 29 A 99.52 0.33 28 17 A A -21.518 13.662 2.00 0.00 1 2 1 2 -20.147 1.00 30 A 99.59 0.14 29 22 A A -19.668 -24.191 2.00 2.00 1 1 1 1 -20.146 1.00 31 A 99.59 0.14 30 23 A A -19.668 -24.191 2.00 2.00 1 1 1 1 -18.696 1.00 32 A 102.60 -3.42 31 2 A A -18.290 -2.906 2.00 1.00 1 2 1 2 -18.331 1.00 33 A 94.20 5.57 32 34 A A -17.890 -17.659 2.00 2.00 1 1 1 1 -18.331 1.00 34 A 93.98 5.78 33 35 A A -17.889 -17.659 2.00 2.00 1 1 1 1 -18.116 1.00 35 A 94.37 5.72 34 32 A A -17.659 -17.890 2.00 2.00 1 1 1 1 -18.115 1.00 36 A 94.16 5.93 35 33 A A -17.659 -17.889 2.00 2.00 1 1 1 1 -17.699 1.00 37 A 99.97 0.01 36 28 A A -17.178 -21.518 2.00 2.00 1 1 1 1 -16.184 1.00 38 A 99.88 -0.05 37 4 A A -15.726 0.317 2.00 0.00 1 2 1 2 -16.183 1.00 39 A 99.88 -0.05 38 3 A A -15.726 0.317 2.00 0.00 1 2 1 2 -16.023 1.00 40 A 96.99 1.59 39 40 A A -15.452 -14.427 2.00 2.00 1 1 1 1 -14.881 1.00 41 A 95.47 1.90 1.17 1.05 40 39 45 46 A A A A -14.427 -15.452 -13.301 -13.211 2.00 2.00 2.00 2.00 1 1 1 1 1 1 1 1 -14.597 1.00 42 A 87.88 9.12 41 43 A A -14.080 -13.639 2.00 2.00 1 1 1 1 -14.596 1.00 43 A 87.74 9.23 42 44 A A -14.079 -13.639 2.00 2.00 1 1 1 1 -14.108 1.00 44 A 88.21 10.18 44 42 A A -13.639 -14.079 2.00 2.00 1 1 1 1 -14.108 1.00 45 A 88.31 10.06 43 41 A A -13.639 -14.080 2.00 2.00 1 1 1 1 -13.914 1.00 46 A 97.30 1.56 45 40 A A -13.301 -14.427 2.00 2.00 1 1 1 1 -13.618 1.00 47 A 98.13 0.96 46 40 A A -13.211 -14.427 2.00 2.00 1 1 1 1 -13.521 1.00 48 A 96.66 1.24 47 44 A A -12.985 -13.639 2.00 2.00 1 1 1 1 -13.520 1.00 49 A 96.68 1.25 48 43 A A -12.984 -13.639 2.00 2.00 1 1 1 1 -13.327 1.00 50 A 99.17 0.82 49 50 A A -12.884 -12.234 2.00 2.00 1 1 1 1 -12.764 1.00 51 A 99.14 0.81 50 49 A A -12.234 -12.884 2.00 2.00 1 1 1 1 -12.708 1.00 52 A 84.93 11.32 1.31 51 54 48 A A A -12.129 -11.904 -12.984 2.00 2.00 2.00 1 1 1 1 1 1 -12.707 1.00 53 A 84.78 11.43 1.32 52 53 47 A A A -12.127 -11.904 -12.985 2.00 2.00 2.00 1 1 1 1 1 1 -12.464 1.00 54 A 86.39 11.67 1.07 54 51 55 A A A -11.904 -12.129 -11.604 2.00 2.00 2.00 1 1 1 1 1 1 -12.464 1.00 55 A 86.25 11.77 1.11 53 52 56 A A A -11.904 -12.127 -11.604 2.00 2.00 2.00 1 1 1 1 1 1 -12.036 1.00 56 A 97.77 1.19 56 52 A A -11.604 -12.127 2.00 2.00 1 1 1 1 -12.036 1.00 57 A 97.85 1.16 55 51 A A -11.604 -12.129 2.00 2.00 1 1 1 1 -11.991 1.00 58 A 98.95 0.51 57 46 A A -11.506 -13.211 2.00 2.00 1 1 1 1 -9.765 1.00 59 A 96.96 1.07 58 5 A A -8.818 0.317 2.00 0.00 1 2 1 2 -8.856 1.00 60 A 98.81 0.98 60 11 A A -8.107 5.873 2.00 0.00 1 2 1 2 -8.855 1.00 61 A 98.80 0.65 59 8 A A -8.107 5.873 2.00 0.00 1 2 1 2 -8.201 1.00 62 A 98.17 0.56 61 12 A A -7.403 5.873 2.00 0.00 1 2 1 2 -8.199 1.00 63 A 98.20 0.48 62 4 A A -7.403 0.317 2.00 0.00 1 2 1 2 -7.215 1.00 64 A 99.64 0.19 63 17 A A -6.545 13.662 2.00 0.00 1 2 1 2 -3.069 1.00 65 A 76.36 11.10 5.67 2.48 2.38 64 65 5 6 2 A A A A A -0.360 0.828 0.317 0.718 -2.906 0.00 0.00 0.00 0.00 1.00 1 1 2 2 2 1 1 2 2 2 -0.017 0.00 66 A 68.74 65.79 -13.99 -12.30 -7.35 -5.12 3.67 -3.24 -1.56 -1.43 1.39 1.23 6 2 68 64 65 5 69 76 7 88 10 100 A A A A A A A A A A A A 0.718 -2.906 1.117 -0.360 0.828 0.317 1.429 2.278 5.441 3.987 5.873 6.034 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 2 1 1 1 2 1 1 2 1 2 1 2 2 1 1 1 2 1 1 2 1 2 1 0.453 0.00 67 A 35.80 29.53 15.71 8.75 6.73 2.70 68 65 6 64 5 2 A A A A A A 1.117 0.828 0.718 -0.360 0.317 -2.906 0.00 0.00 0.00 0.00 0.00 1.00 1 1 2 1 2 2 1 1 2 1 2 2 0.820 0.00 68 A 79.32 10.27 7.27 1.53 1.46 66 70 3 74 67 A A A A A 0.905 1.536 0.317 2.079 0.905 0.00 0.00 0.00 0.00 0.00 1 1 2 1 1 1 1 2 1 1 0.821 0.00 69 A 79.42 10.23 7.08 1.53 1.46 67 71 4 75 66 A A A A A 0.905 1.536 0.317 2.080 0.905 0.00 0.00 0.00 0.00 0.00 1 1 2 1 1 1 1 2 1 1 1.214 0.00 70 A 41.06 27.89 15.49 8.38 7.09 3.88 -3.32 -2.02 70 74 3 66 77 72 12 8 A A A A A A A A 1.536 2.079 0.317 0.905 2.461 1.776 5.873 5.873 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 2 1.214 0.00 71 A 41.12 27.77 15.12 8.34 7.10 -5.58 3.95 71 75 4 67 78 11 73 A A A A A A A 1.536 2.080 0.317 0.905 2.461 5.873 1.776 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 2 1 1 2 1 1 1 2 1 1 2 1 1.279 0.00 72 A 70.28 12.54 12.32 11.14 -9.92 7.90 -5.15 3.66 -1.97 -1.92 69 65 5 68 88 7 76 84 10 89 A A A A A A A A A A 1.429 0.828 0.317 1.117 3.987 5.441 2.278 3.400 5.873 4.210 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 2 1 1 2 1 1 2 1 1 1 2 1 1 2 1 1 2 1 1.466 0.00 73 A 35.16 22.46 12.95 11.84 11.05 7.37 -4.09 2.75 1.98 1.80 1.77 -1.19 -1.03 5 76 2 6 69 84 88 68 58 89 4 10 155 A A A A A A A A A A A A A 0.317 2.278 -2.906 0.718 1.429 3.400 3.987 1.117 -8.818 4.210 0.317 5.873 13.217 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 2 1 2 2 1 1 1 1 1 1 2 2 1 2 1 2 2 1 1 1 1 1 1 2 2 1 1.533 0.00 74 A 40.14 33.26 19.58 13.87 -8.12 -1.16 75 71 73 67 4 11 A A A A A A 2.080 1.536 1.776 0.905 0.317 5.873 0.00 0.00 0.00 0.00 0.00 0.00 1 1 1 1 2 2 1 1 1 1 2 2 1.533 0.00 75 A 40.66 33.28 18.93 13.96 -8.23 -1.75 74 70 72 66 3 12 A A A A A A 2.079 1.536 1.776 0.905 0.317 5.873 0.00 0.00 0.00 0.00 0.00 0.00 1 1 1 1 2 2 1 1 1 1 2 2 1.568 0.00 76 A 74.23 24.35 -1.29 72 74 3 A A A 1.776 2.079 0.317 0.00 0.00 0.00 1 1 2 1 1 2 1.568 0.00 77 A 73.48 25.00 -1.21 73 75 4 A A A 1.776 2.080 0.317 0.00 0.00 0.00 1 1 2 1 1 2 1.884 0.00 78 A 35.75 27.57 27.14 26.28 -14.55 10.63 -6.27 -6.22 -5.74 -3.87 2.30 1.74 1.47 -1.33 1.28 1.19 76 68 6 2 88 65 110 84 89 100 138 122 101 104 69 158 A A A A A A A A A A A A A A A A 2.278 1.117 0.718 -2.906 3.987 0.828 7.166 3.400 4.210 6.034 10.373 8.488 6.399 6.599 1.429 13.623 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2.151 0.00 79 A 71.12 8.10 6.69 3.29 2.82 2.59 2.49 2.24 1.64 -1.37 77 82 80 70 86 3 74 72 79 12 A A A A A A A A A A 2.461 3.293 2.630 1.536 3.485 0.317 2.079 1.776 2.630 5.873 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 2 2.154 0.00 80 A 71.29 8.01 6.61 3.30 2.85 2.50 2.49 2.23 -1.71 1.62 78 83 79 71 85 4 75 73 11 80 A A A A A A A A A A 2.461 3.294 2.630 1.536 3.484 0.317 2.080 1.776 5.873 2.630 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 2 1 1 2 1 2.468 0.00 81 A 98.71 1.24 81 87 A A 2.771 3.553 0.00 0.00 1 1 1 1 2.537 0.00 82 A 62.89 15.84 11.42 6.62 4.43 -3.72 1.25 80 79 77 82 72 3 86 A A A A A A A 2.630 2.630 2.461 3.293 1.776 0.317 3.485 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2.538 0.00 83 A 62.98 15.86 11.29 6.66 4.42 -3.62 1.22 79 80 78 83 73 4 85 A A A A A A A 2.630 2.630 2.461 3.294 1.776 0.317 3.484 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2.645 0.00 84 A 81.94 -71.12 31.16 25.41 24.49 -19.87 13.05 -11.70 -8.24 7.06 6.81 6.68 5.18 4.65 -4.61 4.21 4.16 2.75 -1.83 -1.72 1.22 1.04 76 88 84 65 68 6 100 89 2 110 117 7 104 95 5 69 64 145 138 155 162 133 A A A A A A A A A A A A A A A A A A A A A A 2.278 3.987 3.400 0.828 1.117 0.718 6.034 4.210 -2.906 7.166 7.973 5.441 6.599 4.931 0.317 1.429 -0.360 11.891 10.373 13.217 14.437 9.856 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 1 1 1 2 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 2.927 0.00 85 A 63.35 21.88 5.30 5.17 -1.45 1.22 1.09 1.03 82 86 80 77 3 79 74 70 A A A A A A A A 3.293 3.485 2.630 2.461 0.317 2.630 2.079 1.536 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2.927 0.00 86 A 63.12 22.15 5.29 5.15 1.42 -1.40 1.22 1.09 1.01 83 85 79 78 11 4 80 75 71 A A A A A A A A A 3.294 3.484 2.630 2.461 5.873 0.317 2.630 2.080 1.536 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 1 1 2 2 1 1 1 1 1 1 1 2 2 1 1 1 3.194 0.00 87 A 89.84 8.18 1.10 87 90 81 A A A 3.553 4.264 2.771 0.00 0.00 0.00 1 1 1 1 1 1 3.235 0.00 88 A 70.22 18.98 3.82 3.04 2.60 85 83 4 79 92 A A A A A 3.484 3.294 0.317 2.630 4.358 0.00 0.00 0.00 0.00 0.00 1 1 2 1 1 1 1 2 1 1 3.236 0.00 89 A 70.39 18.71 3.89 3.04 2.62 86 82 3 80 91 A A A A A 3.485 3.293 0.317 2.630 4.357 0.00 0.00 0.00 0.00 0.00 1 1 2 1 1 1 1 2 1 1 3.447 0.00 90 A 77.90 7.90 4.12 -4.03 -3.91 3.56 2.63 2.51 2.20 1.83 1.60 -1.49 1.45 84 68 64 6 88 65 76 95 69 5 117 89 100 A A A A A A A A A A A A A 3.400 1.117 -0.360 0.718 3.987 0.828 2.278 4.931 1.429 0.317 7.973 4.210 6.034 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 3.955 0.00 91 A 91.60 7.70 90 87 A A 4.264 3.553 0.00 0.00 1 1 1 1 3.957 0.00 92 A 53.10 32.61 10.95 -5.13 3.55 2.84 -1.96 1.60 89 88 95 2 84 76 5 64 A A A A A A A A 4.210 3.987 4.931 -2.906 3.400 2.278 0.317 -0.360 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 1 1 1 2 1 1 2 1 1 1 1 2 1 1 2 1 4.074 0.00 93 A 84.44 5.12 2.48 1.24 1.11 91 94 86 3 82 A A A A A 4.357 4.709 3.485 0.317 3.293 0.00 0.00 0.00 0.00 0.00 1 1 1 2 1 1 1 1 2 1 4.075 0.00 94 A 84.58 5.12 2.45 1.11 1.05 92 93 85 83 4 A A A A A 4.358 4.709 3.484 3.294 0.317 0.00 0.00 0.00 0.00 0.00 1 1 1 1 2 1 1 1 1 2 4.584 0.00 95 A 52.49 36.60 12.35 4.52 -1.89 -1.80 1.77 -1.67 1.43 -1.41 -1.14 93 4 92 94 102 11 5 112 67 107 113 A A A A A A A A A A A 4.709 0.317 4.358 4.709 6.441 5.873 0.317 7.350 0.905 6.921 7.547 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 2 1 1 1 2 2 1 1 1 1 1 2 1 1 1 2 2 1 1 1 1 4.584 0.00 96 A 52.49 37.33 12.41 4.52 -1.88 -1.66 -1.43 1.43 -1.14 -1.08 94 3 91 93 103 111 106 66 114 12 A A A A A A A A A A 4.709 0.317 4.357 4.709 6.441 7.350 6.921 0.905 7.548 5.873 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 4.999 0.00 97 A 53.73 30.80 15.82 -7.55 7.45 -6.86 -5.85 5.03 4.36 3.09 -2.83 -2.65 1.91 1.37 -1.14 -1.07 95 7 89 5 2 110 122 84 155 101 100 10 6 125 9 64 A A A A A A A A A A A A A A A A 4.931 5.441 4.210 0.317 -2.906 7.166 8.488 3.400 13.217 6.399 6.034 5.873 0.718 8.994 5.873 -0.360 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 2 1 2 2 1 1 1 1 1 1 2 2 1 2 1 1 2 1 2 2 1 1 1 1 1 1 2 2 1 2 1 5.129 0.00 98 A 96.65 26.72 11.87 -7.26 -6.58 -5.98 -5.57 -4.18 3.58 2.85 -2.84 -2.72 2.66 2.61 -2.23 -2.18 -1.78 -1.48 -1.36 1.29 -1.22 -1.19 1.09 -1.05 -1.04 -1.00 3 94 97 111 8 12 103 114 91 93 136 106 66 5 152 140 131 142 167 61 13 176 21 147 11 10 A A A A A A A A A A A A A A A A A A A A A A A A A A 0.317 4.709 5.731 7.350 5.873 5.873 6.441 7.548 4.357 4.709 10.064 6.921 0.905 0.317 12.937 10.617 9.594 11.156 14.905 -7.403 8.720 16.307 -28.789 11.965 5.873 5.873 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 2 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 2 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 5.130 0.00 99 A 94.07 26.60 -13.12 12.16 -7.20 -5.49 4.50 -4.12 3.51 2.83 -2.80 2.64 -2.60 -2.18 -2.18 -1.77 -1.75 -1.47 -1.35 1.28 -1.17 1.09 -1.02 4 93 11 96 112 102 5 113 92 94 137 67 107 153 141 132 14 143 168 62 177 20 146 A A A A A A A A A A A A A A A A A A A A A A A 0.317 4.709 5.873 5.729 7.350 6.441 0.317 7.547 4.358 4.709 10.065 0.905 6.921 12.940 10.617 9.594 8.720 11.156 14.908 -7.403 16.308 -28.789 11.963 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 -24.627 1.00 23 A 98.96 0.40 22 12 A A -24.191 5.873 2.00 0.00 1 2 1 2 -24.626 1.00 24 A 99.01 0.43 23 9 A A -24.191 5.873 2.00 0.00 1 2 1 2 -23.951 1.00 25 A 97.51 2.47 -1.11 24 2 5 A A A -23.462 -2.906 0.317 2.00 1.00 0.00 1 2 2 1 2 2 -23.647 1.00 26 A 98.85 0.39 25 4 A A -23.144 0.317 2.00 0.00 1 2 1 2 -23.646 1.00 27 A 98.83 0.41 26 3 A A -23.144 0.317 2.00 0.00 1 2 1 2 -22.910 1.00 28 A 99.38 0.46 27 24 A A -22.564 -23.462 2.00 2.00 1 1 1 1 -22.056 1.00 29 A 99.50 0.33 28 17 A A -21.518 13.662 2.00 0.00 1 2 1 2 -20.130 1.00 30 A 99.56 0.13 29 22 A A -19.668 -24.191 2.00 2.00 1 1 1 1 -20.129 1.00 31 A 99.56 0.13 30 23 A A -19.668 -24.191 2.00 2.00 1 1 1 1 -18.585 1.00 32 A 102.80 -3.70 31 2 A A -18.290 -2.906 2.00 1.00 1 2 1 2 -18.291 1.00 33 A 86.85 12.79 33 35 A A -17.889 -17.659 2.00 2.00 1 1 1 1 -18.291 1.00 34 A 87.11 12.53 32 34 A A -17.890 -17.659 2.00 2.00 1 1 1 1 -18.065 1.00 35 A 87.36 12.71 34 32 A A -17.659 -17.890 2.00 2.00 1 1 1 1 -18.064 1.00 36 A 87.10 12.97 35 33 A A -17.659 -17.889 2.00 2.00 1 1 1 1 -17.683 1.00 37 A 99.96 0.03 36 28 A A -17.178 -21.518 2.00 2.00 1 1 1 1 -16.133 1.00 38 A 99.87 0.05 37 56 A A -15.726 -11.604 2.00 2.00 1 1 1 1 -16.132 1.00 39 A 99.87 0.05 38 55 A A -15.726 -11.604 2.00 2.00 1 1 1 1 -15.981 1.00 40 A 97.31 1.45 39 40 A A -15.452 -14.427 2.00 2.00 1 1 1 1 -14.841 1.00 41 A 95.77 1.75 1.26 40 39 45 A A A -14.427 -15.452 -13.301 2.00 2.00 2.00 1 1 1 1 1 1 -14.544 1.00 42 A 88.70 8.73 41 43 A A -14.080 -13.639 2.00 2.00 1 1 1 1 -14.543 1.00 43 A 88.55 8.84 42 44 A A -14.079 -13.639 2.00 2.00 1 1 1 1 -14.090 1.00 44 A 88.31 9.72 44 42 A A -13.639 -14.079 2.00 2.00 1 1 1 1 -14.089 1.00 45 A 88.42 9.60 43 41 A A -13.639 -14.080 2.00 2.00 1 1 1 1 -13.861 1.00 46 A 97.56 1.60 45 40 A A -13.301 -14.427 2.00 2.00 1 1 1 1 -13.580 1.00 47 A 98.36 0.57 46 57 A A -13.211 -11.506 2.00 2.00 1 1 1 1 -13.480 1.00 48 A 97.23 1.39 47 44 A A -12.985 -13.639 2.00 2.00 1 1 1 1 -13.479 1.00 49 A 97.24 1.40 48 43 A A -12.984 -13.639 2.00 2.00 1 1 1 1 -13.287 1.00 50 A 98.82 1.17 49 50 A A -12.884 -12.234 2.00 2.00 1 1 1 1 -12.749 1.00 51 A 98.79 1.17 50 49 A A -12.234 -12.884 2.00 2.00 1 1 1 1 -12.670 1.00 52 A 88.02 8.89 51 54 A A -12.129 -11.904 2.00 2.00 1 1 1 1 -12.669 1.00 53 A 87.86 9.01 52 53 A A -12.127 -11.904 2.00 2.00 1 1 1 1 -12.443 1.00 54 A 88.75 9.19 1.16 53 52 56 A A A -11.904 -12.127 -11.604 2.00 2.00 2.00 1 1 1 1 1 1 -12.443 1.00 55 A 88.90 9.09 1.12 54 51 55 A A A -11.904 -12.129 -11.604 2.00 2.00 2.00 1 1 1 1 1 1 -12.013 1.00 56 A 97.80 1.06 56 52 A A -11.604 -12.127 2.00 2.00 1 1 1 1 -12.013 1.00 57 A 97.87 1.03 55 51 A A -11.604 -12.129 2.00 2.00 1 1 1 1 -11.965 1.00 58 A 99.13 0.55 57 46 A A -11.506 -13.211 2.00 2.00 1 1 1 1 -9.679 1.00 59 A 97.05 1.48 58 5 A A -8.818 0.317 2.00 0.00 1 2 1 2 -8.786 1.00 60 A 98.79 1.00 60 11 A A -8.107 5.873 2.00 0.00 1 2 1 2 -8.785 1.00 61 A 98.78 0.67 59 8 A A -8.107 5.873 2.00 0.00 1 2 1 2 -8.075 1.00 62 A 98.11 0.59 61 12 A A -7.403 5.873 2.00 0.00 1 2 1 2 -8.073 1.00 63 A 98.13 0.51 62 4 A A -7.403 0.317 2.00 0.00 1 2 1 2 -7.160 1.00 64 A 99.64 0.20 63 17 A A -6.545 13.662 2.00 0.00 1 2 1 2 -0.084 0.00 65 A 53.58 27.60 10.34 4.07 1.26 6 64 2 68 7 A A A A A 0.718 -0.360 -2.906 1.117 5.441 0.00 0.00 1.00 0.00 0.00 2 1 2 1 2 2 1 2 1 2 0.053 0.00 66 A 52.36 38.48 23.36 -12.84 4.10 -3.77 -2.60 -2.60 -1.58 1.03 2 6 64 68 69 76 65 88 7 100 A A A A A A A A A A -2.906 0.718 -0.360 1.117 1.429 2.278 0.828 3.987 5.441 6.034 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 2 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 2 1 0.806 0.00 67 A 45.23 24.39 15.89 12.17 9.96 -2.70 -2.60 -1.97 -1.88 65 64 68 5 69 88 2 76 6 A A A A A A A A A 0.828 -0.360 1.117 0.317 1.429 3.987 -2.906 2.278 0.718 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1 1 1 2 1 1 2 1 2 1 1 1 2 1 1 2 1 2 0.832 0.00 68 A 71.26 15.76 11.42 1.81 66 70 3 67 A A A A 0.905 1.536 0.317 0.905 0.00 0.00 0.00 0.00 1 1 2 1 1 1 2 1 0.833 0.00 69 A 71.34 15.73 11.07 1.81 67 71 4 66 A A A A 0.905 1.536 0.317 0.905 0.00 0.00 0.00 0.00 1 1 2 1 1 1 2 1 1.370 0.00 70 A 56.26 27.98 -6.75 6.71 5.89 4.01 1.71 71 67 11 4 78 73 66 A A A A A A A 1.536 0.905 5.873 0.317 2.461 1.776 0.905 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 2 2 1 1 1 1 1 2 2 1 1 1 1.370 0.00 71 A 56.27 28.03 6.92 5.86 -4.08 3.99 -2.21 1.71 70 66 3 77 12 72 8 67 A A A A A A A A 1.536 0.905 0.317 2.461 5.873 1.776 5.873 0.905 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 2 1 2 1 2 1 1 1 2 1 2 1 2 1 1.433 0.00 72 A 34.38 31.24 14.79 14.02 -10.86 9.76 6.78 5.52 -2.44 -2.22 1.41 -1.19 68 69 5 2 88 7 64 65 89 10 76 6 A A A A A A A A A A A A 1.117 1.429 0.317 -2.906 3.987 5.441 -0.360 0.828 4.210 5.873 2.278 0.718 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 2 2 1 2 1 1 1 2 1 2 1 1 2 2 1 2 1 1 1 2 1 2 1.466 0.00 73 A 35.44 23.72 17.95 12.42 10.51 4.28 -3.44 -2.36 2.23 -1.84 1.45 1.18 1.15 69 5 76 84 6 89 7 64 88 2 58 4 110 A A A A A A A A A A A A A 1.429 0.317 2.278 3.400 0.718 4.210 5.441 -0.360 3.987 -2.906 -8.818 0.317 7.166 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.00 0.00 0.00 1 2 1 1 2 1 2 1 1 2 1 2 1 1 2 1 1 2 1 2 1 1 2 1 2 1 1.529 0.00 74 A 89.44 9.20 -7.41 3.33 1.94 1.45 1.26 73 71 4 75 67 78 79 A A A A A A A 1.776 1.536 0.317 2.080 0.905 2.461 2.630 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1.529 0.00 75 A 89.48 9.13 -7.57 3.34 1.96 1.47 -1.40 1.25 72 70 3 74 66 77 12 80 A A A A A A A A 1.776 1.536 0.317 2.079 0.905 2.461 5.873 2.630 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1.650 0.00 76 A 87.76 4.93 2.95 2.15 1.20 74 72 77 3 80 A A A A A 2.079 1.776 2.461 0.317 2.630 0.00 0.00 0.00 0.00 0.00 1 1 1 2 1 1 1 1 2 1 1.650 0.00 77 A 87.82 4.91 2.94 2.09 1.20 75 73 78 4 79 A A A A A 2.080 1.776 2.461 0.317 2.630 0.00 0.00 0.00 0.00 0.00 1 1 1 2 1 1 1 1 2 1 1.900 0.00 78 A 32.76 27.14 24.04 18.57 -15.44 11.29 11.10 -6.66 -6.26 5.34 -5.18 -3.81 2.23 1.68 1.46 -1.30 1.19 -1.00 76 2 6 68 88 64 65 84 110 69 89 100 138 122 101 104 158 10 A A A A A A A A A A A A A A A A A A 2.278 -2.906 0.718 1.117 3.987 -0.360 0.828 3.400 7.166 1.429 4.210 6.034 10.373 8.488 6.399 6.599 13.623 5.873 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2.180 0.00 79 A 78.13 6.12 5.88 3.99 2.38 1.84 1.49 -1.34 77 74 82 70 72 3 86 12 A A A A A A A A 2.461 2.079 3.293 1.536 1.776 0.317 3.485 5.873 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 2.182 0.00 80 A 78.28 6.07 5.81 3.99 2.38 1.77 -1.73 1.51 78 75 83 71 73 4 11 85 A A A A A A A A 2.461 2.080 3.294 1.536 1.776 0.317 5.873 3.484 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 1 2.462 0.00 81 A 99.18 0.75 81 87 A A 2.771 3.553 0.00 0.00 1 1 1 1 2.537 0.00 82 A 64.81 15.95 13.45 4.59 -4.36 2.94 1.17 80 79 82 77 3 72 86 A A A A A A A 2.630 2.630 3.293 2.461 0.317 1.776 3.485 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2.538 0.00 83 A 64.86 15.96 13.50 4.47 -4.25 2.93 1.14 79 80 83 78 4 73 85 A A A A A A A 2.630 2.630 3.294 2.461 0.317 1.776 3.484 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2.619 0.00 84 A 84.11 -75.36 34.23 26.35 24.79 -19.06 12.90 -12.76 7.19 6.56 6.51 5.08 -4.97 4.71 -4.60 3.89 2.80 -1.75 -1.73 1.22 1.12 76 88 84 65 68 6 100 89 7 117 110 104 5 95 2 69 145 138 155 162 133 A A A A A A A A A A A A A A A A A A A A A 2.278 3.987 3.400 0.828 1.117 0.718 6.034 4.210 5.441 7.973 7.166 6.599 0.317 4.931 -2.906 1.429 11.891 10.373 13.217 14.437 9.856 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 2.978 0.00 85 A 54.21 32.53 5.16 3.87 1.24 1.18 82 86 80 77 79 70 A A A A A A 3.293 3.485 2.630 2.461 2.630 1.536 0.00 0.00 0.00 0.00 0.00 0.00 1 1 1 1 1 1 1 1 1 1 1 1 2.978 0.00 86 A 53.90 32.86 5.16 3.86 1.24 1.19 1.16 83 85 79 78 80 11 71 A A A A A A A 3.294 3.484 2.630 2.461 2.630 5.873 1.536 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 1 1 1 2 1 1 1 1 1 1 2 1 3.199 0.00 87 A 93.01 5.67 87 90 A A 3.553 4.264 0.00 0.00 1 1 1 1 3.278 0.00 88 A 60.62 23.16 5.97 4.48 2.90 1.45 1.29 -1.06 85 83 79 4 92 80 67 11 A A A A A A A A 3.484 3.294 2.630 0.317 4.358 2.630 0.905 5.873 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 3.279 0.00 89 A 60.87 22.87 5.97 4.55 2.92 1.45 1.29 86 82 80 3 91 79 66 A A A A A A A 3.485 3.293 2.630 0.317 4.357 2.630 0.905 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 1 2 1 1 1 1 1 1 2 1 1 1 3.404 0.00 90 A 82.51 8.33 -3.63 3.43 -3.30 2.59 2.34 2.17 -1.84 1.60 1.15 -1.06 84 68 88 65 6 76 69 95 89 5 117 110 A A A A A A A A A A A A 3.400 1.117 3.987 0.828 0.718 2.278 1.429 4.931 4.210 0.317 7.973 7.166 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 3.951 0.00 91 A 94.08 5.27 90 87 A A 4.264 3.553 0.00 0.00 1 1 1 1 3.999 0.00 92 A 48.11 33.80 15.36 -4.41 3.72 -1.90 1.31 89 88 95 2 76 5 84 A A A A A A A 4.210 3.987 4.931 -2.906 2.278 0.317 3.400 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1 1 1 2 1 2 1 1 1 1 2 1 2 1 4.064 0.00 93 A 84.25 5.47 2.36 1.47 91 94 86 82 A A A A 4.357 4.709 3.485 3.293 0.00 0.00 0.00 0.00 1 1 1 1 1 1 1 1 4.065 0.00 94 A 84.39 5.47 2.33 1.47 92 93 85 83 A A A A 4.358 4.709 3.484 3.294 0.00 0.00 0.00 0.00 1 1 1 1 1 1 1 1 4.575 0.00 95 A 50.38 39.61 13.13 5.04 -2.11 -1.93 -1.86 1.86 -1.67 1.38 -1.28 93 4 92 94 102 112 11 5 107 67 113 A A A A A A A A A A A 4.709 0.317 4.358 4.709 6.441 7.350 5.873 0.317 6.921 0.905 7.547 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 2 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 2 2 1 1 1 4.575 0.00 96 A 50.37 40.35 13.19 5.03 -2.11 -1.92 -1.69 1.39 -1.29 -1.16 1.06 94 3 91 93 103 111 106 66 114 12 5 A A A A A A A A A A A 4.709 0.317 4.357 4.709 6.441 7.350 6.921 0.905 7.548 5.873 0.317 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 2 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 2 2 5.075 0.00 97 A 41.36 37.64 17.01 10.23 -7.91 -6.98 -6.69 5.98 4.71 -2.96 2.88 2.30 -1.74 1.39 -1.27 -1.05 95 7 89 2 110 122 5 84 155 10 6 101 100 125 9 88 A A A A A A A A A A A A A A A A 4.931 5.441 4.210 -2.906 7.166 8.488 0.317 3.400 13.217 5.873 0.718 6.399 6.034 8.994 5.873 3.987 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 2 1 2 1 1 2 1 1 2 2 1 1 1 2 1 1 2 1 2 1 1 2 1 1 2 2 1 1 1 2 1 5.129 0.00 98 A 95.31 26.91 12.66 -7.16 -6.52 -6.02 -5.62 -4.14 3.60 -2.92 2.87 -2.81 2.57 2.44 -2.23 -2.21 -1.74 -1.45 -1.34 1.29 -1.21 -1.17 1.12 -1.05 -1.02 -1.00 3 94 97 111 8 12 103 114 91 106 93 136 5 66 140 152 131 142 167 61 13 176 21 11 147 10 A A A A A A A A A A A A A A A A A A A A A A A A A A 0.317 4.709 5.731 7.350 5.873 5.873 6.441 7.548 4.357 6.921 4.709 10.064 0.317 0.905 10.617 12.937 9.594 11.156 14.905 -7.403 8.720 16.307 -28.789 5.873 11.965 5.873 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 2 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 2 2 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 2 5.130 0.00 99 A 92.84 26.78 -13.03 12.93 -7.10 -5.55 4.40 -4.07 3.54 2.86 -2.81 -2.77 2.43 -2.23 -2.16 -1.74 -1.73 -1.44 -1.32 1.29 -1.16 1.12 4 93 11 96 112 102 5 113 92 94 107 137 67 141 153 14 132 143 168 62 177 20 A A A A A A A A A A A A A A A A A A A A A A 0.317 4.709 5.873 5.729 7.350 6.441 0.317 7.547 4.358 4.709 6.921 10.065 0.905 10.617 12.940 8.720 9.594 11.156 14.908 -7.403 16.308 -28.789 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 Jan31-2024 01:05:01 Nodes: 1 Procs: 20 0 1