Gaussian 09 GINC-KIMIK2021 CBGUSER 000231273 EM64L-G09RevD.01 3-Jan-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 122.9375 0 1 AuxInfo=1/0/N:5,4,6,1,2,3/E:(4,5)/CRV:1.3,3.3/rA:10ClClOCC3C3HHHH/rB:;;s3;s4;s1s2s5;s4;s4;s5;s3;/rC:;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-12279.inp" -scrdir="/scratch/" chk=000231273.chk nprocshared=4 mem=7GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInp 1/7=-1,11=1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000231273 1 2 3 4 5 6 7 8 9 10 35 35 16 12 12 12 1 1 1 1 34.9688527 34.9688527 15.9949146 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 0 0 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 1 2 3 3 4 4 4 5 5 6 6 4 10 5 7 8 6 9 1.7047 1.7094 1.4305 0.9797 1.4997 1.1077 1.1127 1.3316 1.0959 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 4 3 3 3 5 5 7 4 4 6 1 1 2 3 4 4 4 4 4 4 5 5 5 6 6 6 10 5 7 8 7 8 8 6 9 9 2 5 5 110.6119 110.6117 109.6871 102.8584 112.6495 111.2425 109.3456 123.1108 115.124 121.7534 113.0277 123.7017 123.2705 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 10 10 10 3 3 7 7 8 8 4 4 9 9 3 3 3 4 4 4 4 4 4 5 5 5 5 4 4 4 5 5 5 5 5 5 6 6 6 6 5 7 8 6 9 6 9 6 9 1 2 1 2 67.4973 -57.3605 -173.6274 -168.5532 12.6786 -45.3958 135.836 77.7875 -100.9807 -179.3427 0.4965 -0.6542 179.185 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 3.00e-01 1.00e-07 1.00e-06 45 100 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 10 10 10 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 1378 NPrTT= 6464 LenC2= 1286 LenP2D= 4428. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 84 RedAO= T EigKep= 3.27D-03 NBF= 84 NBsUse= 84 1.00D-06 EigRej= -1.00D+00 NBFU= 84 Using GEDIIS/GDIIS optimizer. local minimum Step number 9 out of a maximum of 45 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00194 0.00537 0.01697 0.02985 0.03894 0.06188 0.07591 0.11838 0.14050 0.15709 0.17083 0.20181 0.22699 0.24401 0.25214 0.27820 0.32324 0.32819 0.33099 0.33935 0.34259 0.42073 0.51621 0.62654 RFO step: Lambda=-1.96327626D-07. 1 2 3 0.00154091 0.00000165 0.00000000 0.00000182 0.00000025 0.00000025 R1 R2 R3 R4 R5 R6 R7 R8 R9 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 3.41632 3.42286 2.78586 1.87307 2.85936 2.09163 2.08478 2.55224 2.07334 1.90084 1.93601 1.95094 1.81211 1.94152 1.92229 1.89637 2.20468 2.02202 2.05623 1.98095 2.14084 2.16139 1.09116 -1.08673 -3.12772 -2.23609 0.88047 -0.05289 3.06367 2.05084 -1.11579 3.11811 -0.02910 0.00199 3.13796 0.00021 0.00009 -0.00001 -0.00002 -0.00006 0.00000 0.00000 -0.00011 0.00001 0.00000 0.00005 -0.00004 -0.00002 0.00001 -0.00002 0.00001 -0.00002 0.00002 -0.00001 -0.00008 0.00003 0.00005 -0.00001 -0.00004 -0.00002 0.00000 -0.00002 0.00000 -0.00002 0.00001 -0.00001 -0.00003 0.00003 -0.00002 0.00004 0.00053 0.00037 0.00008 0.00012 -0.00003 0.00001 0.00002 0.00009 0.00005 -0.00028 -0.00006 0.00020 0.00026 -0.00018 0.00001 -0.00021 0.00023 0.00008 -0.00030 0.00002 -0.00009 0.00007 -0.00116 -0.00102 -0.00102 -0.00176 -0.00103 -0.00168 -0.00094 -0.00206 -0.00132 0.00001 0.00108 -0.00075 0.00032 0.00031 -0.00010 -0.00003 -0.00009 -0.00016 0.00004 0.00000 -0.00019 -0.00001 0.00015 0.00033 -0.00044 -0.00040 0.00036 -0.00008 0.00017 -0.00023 0.00016 0.00006 -0.00016 0.00004 0.00011 -0.00188 -0.00228 -0.00205 -0.00048 -0.00129 -0.00053 -0.00135 -0.00014 -0.00095 -0.00066 -0.00015 0.00017 0.00068 0.00085 0.00027 0.00005 0.00003 -0.00020 0.00006 0.00001 -0.00010 0.00005 -0.00013 0.00028 -0.00024 -0.00013 0.00018 -0.00008 -0.00004 0.00000 0.00024 -0.00025 -0.00014 -0.00004 0.00018 -0.00304 -0.00331 -0.00307 -0.00224 -0.00232 -0.00221 -0.00229 -0.00219 -0.00227 -0.00065 0.00093 -0.00057 0.00100 3.41717 3.42314 2.78591 1.87310 2.85917 2.09168 2.08479 2.55214 2.07338 1.90072 1.93629 1.95070 1.81198 1.94171 1.92222 1.89633 2.20468 2.02226 2.05599 1.98081 2.14080 2.16157 1.08812 -1.09003 -3.13079 -2.23833 0.87815 -0.05510 3.06137 2.04865 -1.11806 3.11746 -0.02818 0.00141 3.13896 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000212 0.000051 0.005446 0.001541 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -3.415421e-07 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 1 2 3 3 4 4 4 5 5 6 6 4 10 5 7 8 6 9 1.8078 1.8113 1.4742 0.9912 1.5131 1.1068 1.1032 1.3506 1.0972 -DE/DX = 0.0002|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 4 3 3 3 5 5 7 4 4 6 1 1 2 3 4 4 4 4 4 4 5 5 5 6 6 6 10 5 7 8 7 8 8 6 9 9 2 5 5 108.9104 110.9254 111.7806 103.8262 111.2412 110.1394 108.6539 126.3186 115.8532 117.8134 113.4998 122.6612 123.8383 -DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 10 10 10 3 3 7 7 8 8 4 4 9 3 3 3 4 4 4 4 4 4 5 5 5 4 4 4 5 5 5 5 5 5 6 6 6 5 7 8 6 9 6 9 6 9 1 2 1 62.519 -62.2649 -179.2049 -128.1184 50.447 -3.0302 175.5353 117.5045 -63.93 178.6544 -1.6675 0.114 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 122.9375 AuxInfo=1/0/N:5,4,6,1,2,3/E:(4,5)/CRV:1.3,3.3/rA:10ClClOCC3C3HHHH/rB:;;s3;s4;s1s2s5;s4;s4;s5;s3;/rC:;;;;;;;;;; 0.000000 2.847472 0.000000 5.072543 4.494530 0.000000 4.091736 3.093510 1.430476 0.000000 2.683008 2.681958 2.409539 1.499725 0.000000 1.704732 1.709422 3.663467 2.490835 1.331629 0.000000 4.440780 2.871349 2.083462 1.107683 2.180730 2.780272 0.000000 4.540954 3.301500 1.998176 1.112668 2.167117 2.957802 1.811505 0.000000 2.895434 3.697972 2.505780 2.201316 1.095897 2.123726 3.033870 2.839044 0.000000 5.166163 4.788587 0.979745 1.998229 2.670466 3.878933 2.348022 2.843836 2.629927 0.000000 3.5039684 1.3095007 0.9645612 -9.92816 -9.21519 -9.21017 -7.04069 -7.03581 -7.02695 -7.02633 -7.02173 -7.02132 -0.95299 -0.88072 -0.79162 -0.72006 -0.61875 -0.51980 -0.48365 -0.45143 -0.43779 -0.41001 -0.37446 -0.36474 -0.31541 -0.29978 -0.29088 -0.27963 -0.23828 -0.22446 -0.04817 -0.01489 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0.01239 0.01733 -0.13779 -0.05368 0.06478 0.01038 -0.01306 -0.03913 -0.00082 0.00273 -0.02509 -0.11857 -0.08838 0.02844 -0.18015 -0.03405 0.06494 -0.11789 -0.08184 0.10730 -0.06430 -0.02459 -0.02651 -0.05265 0.02857 0.02718 0.03617 -0.02006 0.04849 -0.14722 0.22832 0.25466 0.51193 0.25896 0.15149 -0.27683 1.37664 0.02878 0.00050 -0.00605 0.00071 -0.00596 0.01814 0.01268 0.04224 -0.02927 0.03426 0.00671 -0.00771 0.00136 0.00778 -0.00557 -0.00016 0.00020 -0.00010 0.00182 0.00126 0.00061 -0.00471 0.00567 0.00103 0.00032 0.00010 -0.00047 -0.00005 -0.00052 0.00841 -0.01287 -0.00047 -0.00339 -0.00104 -0.05446 0.05241 -0.01098 0.00094 -0.00614 0.02269 0.16917 -0.03531 0.00637 -0.06723 0.00834 -0.03662 0.00731 0.06869 -0.09370 -0.43840 -0.21584 0.39439 0.13260 -0.42931 -0.54433 0.24145 1.18794 -0.46686 -1.56844 -1.88644 -0.86344 -1.79052 -0.02028 1.10955 -2.47435 -0.21639 -0.10019 -0.36197 -0.26427 -0.35331 0.14894 1.23446 0.93519 -1.14037 -0.71026 -0.04062 0.60839 -0.98700 -1.49596 -0.93331 -0.08729 -1.52269 0.52781 -4.11402 -0.07606 -0.01199 0.03817 -0.00827 -0.01349 -0.12035 0.09670 -0.09723 0.51366 -0.09676 -0.02206 0.02648 -0.01009 -0.01796 0.10926 0.00000 0.00000 0.00018 -0.00021 0.00010 -0.00007 -0.00011 -0.00010 -0.00003 0.00002 -0.00003 0.00002 0.00006 0.00000 0.13363 -0.01007 0.00477 -0.06215 -0.12855 -0.05792 -0.15712 -0.05196 0.07125 0.09373 -0.01692 0.02314 -0.01221 -0.01839 0.12985 -0.06530 0.01355 -0.02656 -0.01606 0.01661 0.01059 0.14537 0.08243 -0.01308 0.06091 0.04984 -0.00489 -0.01536 0.04670 -0.00410 -0.03944 -0.09086 -0.01014 -0.06884 0.02700 -0.04330 -0.06585 0.20610 -0.06530 -0.16241 -0.30604 0.09518 -0.03266 -0.10883 -0.10520 0.15626 -0.26663 0.32546 -0.00105 1.09901 -0.57167 0.12328 0.04757 -0.25534 -0.04640 0.50374 0.00853 -0.00620 -0.00227 -0.00374 0.00483 -0.00010 0.01225 0.00169 0.00835 -0.00561 -0.00113 -0.01789 0.00222 0.00026 0.00003 0.00003 0.00072 0.00069 0.00088 -0.00018 0.00088 0.00100 0.00014 -0.00012 -0.00005 -0.00050 -0.00015 -0.00012 0.00935 -0.00775 -0.00096 -0.02466 -0.04847 -0.04369 -0.10277 -0.03427 0.05056 0.08192 -0.02611 0.03616 -0.01150 -0.01783 0.09342 -0.05887 0.03547 -0.03550 -0.14031 0.07201 0.00074 1.06364 0.89961 -0.70225 0.54678 0.16897 -0.47379 0.12210 0.32025 0.16238 0.27745 -0.17174 -0.18907 -0.20709 -0.18936 -0.28670 -0.14777 0.12963 0.00754 0.07503 -0.08346 -0.04928 0.04533 0.03466 0.20536 -0.17601 -0.33124 -1.69150 -0.75645 -0.67158 0.82124 0.27335 0.33150 0.07671 -0.42135 -0.28166 -0.00761 0.02288 0.00907 0.03780 -0.01004 0.04278 -0.09102 0.00057 -0.02645 -0.02009 0.03152 -0.02994 -0.01861 0.00036 1 Cl 1S 2S 3S 4S 5S 6S 7PX 7PY 7PZ 8PX 8PY 8PZ 9PX 9PY 9PZ 10PX 10PY 10PZ 2 Cl 1S 2S 3S 4S 5S 6S 7PX 7PY 7PZ 8PX 8PY 8PZ 9PX 9PY 9PZ 10PX 10PY 10PZ 3 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 4 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 5 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 6 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 7 H 1S 2S 8 H 1S 2S 9 H 1S 2S 10 H 1S 2S 1 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 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 1 Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2 Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|3 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 H 1S|2S|8 H 1S|2S|9 H 1S|2S|10 H 1S|2S 0.74383 1.22403 0.97438 1.01025 1.09315 0.90849 1.78935 1.79734 1.80212 0.22763 0.22719 0.22739 0.76224 0.86093 0.91551 0.62598 0.79029 0.93872 0.74383 1.22402 0.97451 1.00990 1.09440 0.91337 1.80287 1.78499 1.80087 0.22657 0.22812 0.22742 0.93315 0.70452 0.90032 0.91496 0.54021 0.91400 1.13231 0.85954 0.94572 0.89024 1.13635 1.28148 1.04129 0.39968 0.49251 0.25511 1.17436 0.81430 0.74763 0.60644 0.77470 0.89181 0.94683 0.06467 0.10483 0.22569 1.17439 0.81420 0.75566 0.39192 0.89581 0.92047 0.79940 -0.08566 0.15029 0.22007 1.17432 0.81410 0.75927 0.64934 0.91044 0.80258 0.90775 0.09732 0.02664 0.25883 0.51243 0.27160 0.50827 0.24458 0.50395 0.21916 0.49326 0.16727 -0.1995 -0.2512 -1.2868 1.3262 -56.1595 -48.3882 -46.6681 1.5900 3.5463 -1.1823 -5.7543 2.0171 3.7372 1.5900 3.5463 -1.1823 -49.1240 10.9463 -28.3978 -23.0688 0.2070 -20.6295 -31.9893 4.0385 -10.3163 2.4442 -1055.0548 -319.2669 -93.9867 17.5542 4.1749 -1.0890 39.9519 -22.1972 42.8894 -217.5218 -160.0125 -71.6613 6.0778 -5.7825 -2.6093 0 0 0 0 0 0 0 0 0 0 122.9375 AuxInfo=1/0/N:5,4,6,1,2,3/E:(4,5)/CRV:1.3,3.3/rA:10ClClOCC3C3HHHH/rB:;;s3;s4;s1s2s5;s4;s4;s5;s3;/rC:;;;;;;;;;; 0.000000 3.026635 0.000000 5.097269 4.413976 0.000000 4.230453 3.268107 1.474214 0.000000 2.779883 2.798102 2.460929 1.513110 0.000000 1.807840 1.811301 3.604623 2.556232 1.350589 0.000000 4.518251 2.742433 2.146932 1.106840 2.174424 2.715200 0.000000 4.820578 3.972188 2.041501 1.103216 2.157793 3.248022 1.795358 0.000000 2.891257 3.790589 2.734974 2.222864 1.097163 2.100159 3.129611 2.602364 0.000000 4.973802 4.291664 0.991186 2.025559 2.666433 3.573551 2.430164 2.876716 2.991955 0.000000 3.0559660 1.2751995 0.9386356 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 82 82 82 82 82 MxSgAt= 10 MxSgA2= 10. SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 10 10 10 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 10 10 10 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 10 10 10 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 10 10 10 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 10 10 10 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 10 10 10 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 10 10 10 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 10 10 10 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 1378 NPrTT= 6464 LenC2= 1284 LenP2D= 4394. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 84 RedAO= T EigKep= 3.49D-03 NBF= 84 NBsUse= 84 1.00D-06 EigRej= -1.00D+00 NBFU= 84 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 82 82 82 82 82 MxSgAt= 10 MxSgA2= 10. 1 Closed 1 0 1 -1111.41888529402 -1110.76907170410 0.649813589918 -1111.31770561588 -0.548633911779 -1111.57581720624 -0.258111590365 -1111.57938133968 -0.003564133437 -1111.58984295694 -0.010461617257 -1111.59061199563 -0.000769038696 -1111.59070565047 -0.000093654834 -1111.59071924586 -0.000013595394 -1111.59071956802 -0.000000322156 -1111.59070401511 0.000015552904 -1111.59070410354 -0.000000088426 -1111.59070409828 0.000000005254 -1111.59070410671 -0.000000008426 -1111.59070410840 -0.000000001692 -1111.59070410843 -0.000000000027 -1111.59070410843 0.000000000000 -1111.59070411 17 1.108700491480e+03 -3.312106904301e+03 7.531592970644e+02 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=7321723. IVT= 40746 IEndB= 40746 NGot= 939524096 MDV= 933109116 LenX= 933109116 LenY= 933101619 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 3570 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -7.85041293e-02 -9.88418739e-02 -5.06260437e-01 1 2 3 4 5 6 7 8 9 10 17 17 8 6 6 6 1 1 1 1 0.042463348 0.034347500 -0.010067202 0.004529904 -0.050826701 0.014794461 -0.023001515 0.011778260 -0.001256068 -0.004328098 -0.006830486 0.010784577 -0.012243912 0.003991972 -0.002056463 -0.020829609 0.013295725 -0.004880496 0.005606173 -0.003326142 0.003810778 0.004837237 -0.003482445 -0.004042807 0.003066700 0.000403435 0.001674713 -0.000100229 0.000648883 -0.008761493 0.050826701 0.016084209 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1111.60520865899 -1111.60522020118 -0.000011542185 -1111.60522002233 0.000000178851 -1111.60522038689 -0.000000364564 -1111.60522038946 -0.000000002567 -1111.60522039850 -0.000000009043 -1111.60522039859 -0.000000000086 -1111.60522039859 -0.000000000007 -1111.60522039859 0.000000000000 -1111.60522040 9 1.108156177277e+03 -3.289484246835e+03 7.421784097823e+02 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=7321723. IVT= 40746 IEndB= 40746 NGot= 939524096 MDV= 933109116 LenX= 933109116 LenY= 933101619 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 3570 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 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 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -100.735615 -100.732206 -18.775937 -10.026620 -9.969896 -9.942592 -9.214432 -9.210996 -7.040590 -7.037334 -7.026249 -7.025965 -7.022705 -7.022498 -0.941600 -0.846391 -0.776998 -0.722695 -0.625844 -0.517248 -0.480937 -0.442999 -0.427994 -0.405156 -0.364080 -0.360489 -0.311426 -0.299006 -0.297607 -0.283034 -0.248813 -0.231398 -0.067672 -0.064059 -0.010396 0.042643 0.106793 0.113659 0.136383 0.172747 0.186014 0.243852 0.266337 0.279513 0.311988 0.324132 0.333335 0.363897 0.389011 0.425984 0.495295 0.554735 0.586261 0.637495 0.648494 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57.397363 57.395183 57.396333 105.853829 561.756981 561.969621 1.108156177277D+03 PT229.700S Wed Jan 3 15:02:38 2018 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 Cl Cl O C C C H H H H 0.081175 0.061949 -0.434216 -0.351258 -0.036534 -0.400599 0.215974 0.247148 0.276889 0.339470 0.00000 -9.94259 -9.21443 -9.21100 -7.04059 -7.03733 -7.02625 -7.02597 -7.02271 -7.02250 -0.94160 -0.84639 -0.77700 -0.72269 -0.62584 -0.51725 -0.48094 -0.44300 -0.42799 -0.40516 -0.36408 -0.36049 -0.31143 -0.29901 -0.29761 -0.28303 -0.24881 -0.23140 -0.06767 -0.06406 -0.01040 0.04264 0.10679 0.11366 0.13638 0.17275 0.18601 0.24385 0.26634 0.27951 0.31199 0.32413 0.33333 0.36390 0.38901 0.42598 0.49529 0.55474 0.58626 0.63749 0.64849 0.67419 0.68092 0.69811 0.72933 0.73639 0.76140 0.83697 0.87243 0.96271 1.00461 1.03658 1.08151 1.16476 1.26310 1.57331 5.84232 5.85445 5.85611 5.85975 5.88860 5.88981 8.64858 8.81847 22.27191 22.52606 22.63952 41.44809 217.53019 217.72321 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 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1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 H 1S|2S|8 H 1S|2S|9 H 1S|2S|10 H 1S|2S 0.74386 1.22399 0.97477 1.01063 1.09610 0.91514 1.78888 1.79573 1.80234 0.22816 0.22769 0.22768 0.74954 0.83584 0.91469 0.67358 0.79517 0.95958 0.74386 1.22399 0.97491 1.01013 1.09613 0.92243 1.80256 1.78171 1.80272 0.22702 0.22891 0.22758 0.92413 0.65573 0.92009 0.93805 0.54670 0.96536 1.13240 0.85946 0.95125 0.90483 1.13680 1.31031 0.97768 0.42959 0.52599 0.20311 1.17440 0.81428 0.74722 0.62308 0.79973 0.93039 0.86569 0.09205 0.14879 0.15796 1.17443 0.81423 0.75953 0.40781 0.88293 0.93611 0.77826 -0.11459 0.12651 0.22377 1.17462 0.81406 0.75341 0.72316 0.86545 0.73437 0.88070 0.08603 0.02356 0.28127 0.51115 0.27524 0.51191 0.24953 0.50384 0.22591 0.48822 0.16824 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 Cl Cl O C C C H H H H 0.036635 0.007999 -0.431397 -0.353577 0.011023 -0.336634 0.213607 0.238561 0.270249 0.343534 0.00000 -4.82094080e-02 -6.67346939e-02 -1.07638871e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.1225 -0.1696 -0.2736 0.3444 -58.0117 -48.3405 -46.3102 2.1309 0.6115 0.3405 -7.1243 2.5470 4.5773 2.1309 0.6115 0.3405 -42.0004 14.7232 -4.4541 -22.0087 0.8635 -1.4775 -33.2044 5.1541 0.4482 -0.8060 -1081.4075 -366.7950 -75.7453 17.7352 6.4567 -6.4403 11.5161 16.8833 10.3440 -227.6128 -157.6214 -80.6260 3.4454 0.8788 -2.7093 0 -1111.6052204 5.136E-9 8.548E-5 -5.2967131,1.8936321,3.403081,1.5842871,0.4546298,0.2531777 C01 [X(C3H4Cl2O1)] -0.0482094 -0.0667347 -0.1076389 @ 0.000188950 0.000084608 -0.000054775 0.000042771 -0.000090688 -0.000034678 -0.000026114 -0.000055873 0.000007533 0.000105864 0.000040843 -0.000040316 0.000045019 -0.000065742 0.000024366 -0.000338789 0.000014246 0.000125908 -0.000036751 -0.000005728 -0.000016403 0.000000847 0.000028924 0.000000993 0.000012796 0.000007984 -0.000032605 0.000005407 0.000041426 0.000019977 122.9375 AuxInfo=1/0/N:5,4,6,1,2,3/E:(4,5)/CRV:1.3,3.3/rA:10ClClOCC3C3HHHH/rB:;;s3;s4;s1s2s5;s4;s4;s5;s3;/rC:;;;;;;;;;; Gaussian 09 GINC-KIMIK2075 CBGUSER 000231273 EM64L-G09RevD.01 3-Jan-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 24 C1[X(C3H4Cl2O)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 122.9375 0 1 AuxInfo=1/0/N:5,4,6,1,2,3/E:(4,5)/CRV:1.3,3.3/rA:10ClClOCC3C3HHHH/rB:;;s3;s4;s1s2s5;s4;s4;s5;s3;/rC:;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-8566.inp" -scrdir="/scratch/" chk=000231273-Freq.chk nprocshared=4 mem=3GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000231273 1 2 3 4 5 6 7 8 9 10 35 35 16 12 12 12 1 1 1 1 34.9688527 34.9688527 15.9949146 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 0 0 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. 3.00e-01 1.00e-07 1.00e-07 2 2 Search for a local minimum. |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000399 0.000092 0.010442 0.003694 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -6.014171e-07 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 327.5444391438 84 184 84 32 32 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 10 10 10 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 122.9375 AuxInfo=1/0/N:5,4,6,1,2,3/E:(4,5)/CRV:1.3,3.3/rA:10ClClOCC3C3HHHH/rB:;;s3;s4;s1s2s5;s4;s4;s5;s3;/rC:;;;;;;;;;; 0.000000 3.026635 0.000000 5.097268 4.413976 0.000000 4.230453 3.268107 1.474214 0.000000 2.779883 2.798102 2.460929 1.513110 0.000000 1.807840 1.811302 3.604622 2.556232 1.350588 0.000000 4.518251 2.742433 2.146931 1.106840 2.174423 2.715199 0.000000 4.820579 3.972189 2.041500 1.103216 2.157793 3.248022 1.795358 0.000000 2.891257 3.790590 2.734974 2.222864 1.097163 2.100159 3.129610 2.602364 0.000000 4.973803 4.291664 0.991186 2.025559 2.666433 3.573551 2.430164 2.876715 2.991955 0.000000 C3H4Cl2O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 122.9375 AuxInfo=1/0/N:5,4,6,1,2,3/E:(4,5)/CRV:1.3,3.3/rA:10ClClOCC3C3HHHH/rB:;;s3;s4;s1s2s5;s4;s4;s5;s3;/rC:;;;;;;;;;; 3.0559659 1.2751995 0.9386356 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 1378 NPrTT= 6464 LenC2= 1284 LenP2D= 4394. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 84 RedAO= T EigKep= 3.49D-03 NBF= 84 NBsUse= 84 1.00D-06 EigRej= -1.00D+00 NBFU= 84 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 82 82 82 82 82 MxSgAt= 10 MxSgA2= 10. 1 Closed 1 0 1 -1111.43908520132 -1110.72214248919 0.716942712127 -1111.35543217249 -0.633289683300 -1111.58616777673 -0.230735604238 -1111.59266077904 -0.006493002312 -1111.60371799050 -0.011057211462 -1111.60486223510 -0.001144244595 -1111.60501204103 -0.000149805933 -1111.60502718938 -0.000015148351 -1111.60502782724 -0.000000637861 -1111.60522168530 -0.000193858054 -1111.60522178358 -0.000000098281 -1111.60522174660 0.000000036977 -1111.60522179161 -0.000000045010 -1111.60522179300 -0.000000001388 -1111.60522179311 -0.000000000113 -1111.60522179312 -0.000000000004 -1111.60522179312 -0.000000000005 -1111.60522179 18 1.108156207171e+03 -3.289484329114e+03 7.421784610066e+02 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=7321859. IVT= 40882 IEndB= 40882 NGot= 402653184 MDV= 396238068 LenX= 396238068 LenY= 396230571 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 3570 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 10. Will process 11 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 402652996 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=7282535. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 3570 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 33 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 30 vectors produced by pass 0 Test12= 5.04D-15 3.03D-09 XBig12= 1.39D+02 7.34D+00. AX will form 30 AO Fock derivatives at one time. 30 vectors produced by pass 1 Test12= 5.04D-15 3.03D-09 XBig12= 3.52D+01 1.30D+00. 30 vectors produced by pass 2 Test12= 5.04D-15 3.03D-09 XBig12= 2.19D-01 1.23D-01. 30 vectors produced by pass 3 Test12= 5.04D-15 3.03D-09 XBig12= 4.65D-04 4.72D-03. 21 vectors produced by pass 4 Test12= 5.04D-15 3.03D-09 XBig12= 9.51D-08 4.52D-05. 4 vectors produced by pass 5 Test12= 5.04D-15 3.03D-09 XBig12= 9.54D-12 4.25D-07. 1 vectors produced by pass 6 Test12= 5.04D-15 3.03D-09 XBig12= 9.57D-16 4.11D-09. InvSVY: IOpt=1 It= 1 EMax= 5.33D-15 Solved reduced A of dimension 146 with 33 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 54.95 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 75.585 -0.176 58.001 3.609 -1.239 31.275 136.794 -6.702 105.425 9.900 -4.242 46.163 (Enter /mnt/data/applications/G09/g09/l716.exe) PT100.400S Wed Jan 3 15:03:04 2018 -100.73562 -100.73220 -18.77593 -10.02662 -9.96989 -9.94259 -9.21443 -9.21099 -7.04059 -7.03733 -7.02625 -7.02597 -7.02270 -7.02250 -0.94160 -0.84639 -0.77700 -0.72269 -0.62584 -0.51725 -0.48094 -0.44300 -0.42799 -0.40515 -0.36408 -0.36049 -0.31143 -0.29901 -0.29761 -0.28304 -0.24881 -0.23140 -0.06767 -0.06406 -0.01040 0.04264 0.10679 0.11366 0.13639 0.17274 0.18602 0.24386 0.26636 0.27950 0.31200 0.32414 0.33334 0.36389 0.38903 0.42597 0.49530 0.55473 0.58628 0.63749 0.64850 0.67419 0.68091 0.69812 0.72932 0.73640 0.76141 0.83697 0.87243 0.96273 1.00461 1.03662 1.08151 1.16477 1.26310 1.57331 5.84232 5.85445 5.85611 5.85975 5.88860 5.88982 8.64859 8.81848 22.27191 22.52605 22.63952 41.44810 217.53019 217.72321 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 Cl Cl O C C C H H H H 0.036641 0.007999 -0.431389 -0.353573 0.011013 -0.336630 0.213602 0.238557 0.270248 0.343532 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 Cl Cl O C C C 0.036641 0.007999 -0.087857 0.098586 0.281261 -0.336630 0.00000 5.00958295e-02 5.63603070e-02 -1.12608009e-01 7.55849382e+01 -1.75939358e-01 5.80008045e+01 3.60870852e+00 -1.23858047e+00 3.12753584e+01 -8.6389 -0.0043 -0.0032 -0.0027 4.8134 8.9721 66.7300 126.2005 193.9043 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 66.7265 126.1974 193.9022 261.3001 352.9629 379.5896 415.5505 465.9742 575.6927 795.9019 833.0468 925.7689 975.2039 1080.1051 1161.9165 1245.4623 1318.2810 1368.8382 1462.4784 1638.5572 3003.3915 3076.5969 3142.3690 3557.4476 3.6971 5.7518 3.2174 13.6984 1.6744 3.0674 6.1422 3.4052 5.3225 5.1817 1.3510 2.2157 3.3455 2.9882 1.1832 1.2340 1.1952 1.1924 1.0799 8.5650 1.0612 1.1022 1.0903 1.0665 0.0097 0.0540 0.0713 0.5511 0.1229 0.2604 0.6249 0.4356 1.0393 1.9339 0.5524 1.1188 1.8746 2.0539 0.9411 1.1277 1.2238 1.3163 1.3608 13.5488 5.6401 6.1466 6.3434 7.9522 4.9290 0.3670 7.0597 0.6447 111.9196 59.3291 8.6176 0.8246 21.9672 163.1809 21.3133 126.2988 15.5682 34.3703 22.6068 16.2458 22.3921 26.0329 6.9478 77.8626 33.3270 14.1701 3.5113 8.6935 17 17 8 6 6 6 1 1 1 1 0.01 -0.01 0.01 -0.09 0.04 0.07 0.14 -0.20 0.16 0.01 0.09 -0.18 0.02 0.07 -0.17 -0.01 0.04 -0.06 0.05 0.04 -0.52 -0.15 0.40 -0.07 0.07 0.07 -0.19 0.32 -0.45 0.08 -0.14 0.05 0.12 0.08 -0.06 -0.02 0.21 0.23 0.13 -0.07 -0.06 -0.01 -0.01 -0.14 -0.29 -0.02 -0.09 -0.13 -0.14 -0.04 0.17 -0.26 -0.18 0.06 0.01 -0.14 -0.40 0.45 0.41 0.07 -0.07 0.00 -0.05 0.14 -0.07 0.04 -0.05 0.07 0.02 -0.10 0.20 -0.13 -0.01 -0.03 0.10 -0.03 -0.09 0.06 -0.27 0.12 -0.48 -0.04 0.60 -0.10 0.12 -0.01 0.21 -0.13 -0.33 0.00 -0.09 0.34 -0.08 -0.26 -0.27 -0.02 0.24 0.02 -0.08 0.25 0.00 -0.02 0.20 -0.07 0.23 0.16 -0.13 0.18 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