Gaussian 09 GINC-KIMIK2027 CBGUSER 000178766 EM64L-G09RevD.01 13-Sep-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 189.85479999999995 0 1 AuxInfo=1/0/N:6,8,5,7,4,1,2,3/E:(7,8)/CRV:1.3,2.3,3.3,4.3/rA:10ClClClClC3C3C3C3HH/rB:;;;s1;s5;s2s3s5;s4s6;s6;s8;/rC:;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-25558.inp" -scrdir="/scratch/" chk=000178766.chk nprocshared=4 mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-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=-1,14=-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=-1,14=-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 000178766 1 2 3 4 5 6 7 8 9 10 35 35 35 35 12 12 12 12 1 1 34.9688527 34.9688527 34.9688527 34.9688527 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 3 3 3 3 0 0 0 0 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 4 5 5 6 6 8 5 7 7 8 6 7 8 9 10 1.7548 1.7419 1.7399 1.7172 1.4625 1.3509 1.3386 1.0875 1.0807 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 1 1 6 5 5 8 2 2 3 4 4 6 5 5 5 6 6 6 7 7 7 8 8 8 6 7 7 8 9 9 3 5 5 6 10 10 116.5274 119.3941 124.0785 126.8866 116.5002 116.6132 113.8817 122.8629 123.2553 122.5783 111.3529 126.0687 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 1 1 7 7 1 1 6 6 5 5 9 9 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 8 9 8 9 2 3 2 3 4 10 4 10 0.0134 -179.9523 179.9946 0.0289 0.0153 179.9698 -179.9654 -0.0109 -179.9397 0.018 0.026 179.9837 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 43 100 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= 2346 NPrTT= 10610 LenC2= 2014 LenP2D= 6353. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 116 RedAO= T EigKep= 2.63D-03 NBF= 116 NBsUse= 116 1.00D-06 EigRej= -1.00D+00 NBFU= 116 Using GEDIIS/GDIIS optimizer. local minimum Step number 4 out of a maximum of 43 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.01262 0.02008 0.02111 0.02738 0.02738 0.02901 0.02901 0.11473 0.16108 0.17887 0.22063 0.22692 0.25003 0.25502 0.27655 0.29914 0.31148 0.32795 0.34710 0.35379 0.35909 0.39058 0.55365 0.57928 RFO step: Lambda=-9.97028716D-06. 1 2 3 0.00228107 0.00000412 0.00000000 0.00000338 0.00000001 0.00000001 R1 R2 R3 R4 R5 R6 R7 R8 R9 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 3.44353 3.38432 3.41058 3.40528 2.75332 2.58731 2.56991 2.07003 2.06227 2.04136 2.06244 2.17938 2.16960 2.02258 2.09101 1.99055 2.17348 2.11916 2.11884 1.97774 2.18661 0.00000 -3.14158 -3.14157 0.00003 -0.00001 -3.14156 3.14157 0.00001 -3.14155 -0.00006 0.00004 3.14152 -0.00010 -0.00152 0.00024 -0.00017 0.00037 -0.00062 -0.00044 -0.00014 -0.00025 -0.00030 -0.00058 0.00087 0.00036 0.00000 -0.00036 -0.00005 0.00013 -0.00008 -0.00007 -0.00045 0.00053 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00128 -0.00012 0.00069 0.00102 -0.00033 -0.00037 -0.00025 -0.00011 -0.00021 -0.00014 -0.00017 0.00030 -0.00028 -0.00024 0.00052 -0.00064 0.00170 -0.00106 -0.00077 -0.00051 0.00128 -0.00002 0.00000 -0.00002 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00003 0.00000 0.00001 -0.00002 0.00029 -0.00487 0.00142 0.00023 0.00104 -0.00106 -0.00064 -0.00034 -0.00067 -0.00133 -0.00250 0.00383 0.00158 0.00025 -0.00183 -0.00018 0.00079 -0.00061 -0.00041 -0.00297 0.00338 0.00003 -0.00001 0.00000 -0.00004 0.00001 -0.00004 0.00004 -0.00001 -0.00012 0.00006 -0.00008 0.00011 0.00158 -0.00499 0.00210 0.00125 0.00071 -0.00143 -0.00089 -0.00044 -0.00087 -0.00147 -0.00267 0.00413 0.00131 0.00001 -0.00131 -0.00082 0.00249 -0.00167 -0.00118 -0.00348 0.00466 0.00001 -0.00001 -0.00002 -0.00004 0.00000 -0.00004 0.00003 -0.00001 -0.00009 0.00006 -0.00006 0.00009 3.44511 3.37934 3.41268 3.40653 2.75403 2.58587 2.56902 2.06958 2.06140 2.03990 2.05977 2.18351 2.17090 2.02259 2.08969 1.98973 2.17597 2.11749 2.11765 1.97426 2.19127 0.00001 3.14159 -3.14159 -0.00002 -0.00001 3.14158 -3.14159 0.00000 3.14155 0.00000 -0.00002 -3.14158 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.001522 0.000396 0.007719 0.002279 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.035126e-05 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 1 2 3 4 5 5 6 6 8 5 7 7 8 6 7 8 9 10 1.8222 1.7909 1.8048 1.802 1.457 1.3691 1.3599 1.0954 1.0913 -DE/DX = -0.0001|-DE/DX = -0.0015|-DE/DX = 0.0002|-DE/DX = -0.0002|-DE/DX = 0.0004|-DE/DX = -0.0006|-DE/DX = -0.0004|-DE/DX = -0.0001|-DE/DX = -0.0003 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 1 1 6 5 5 8 2 2 3 4 4 6 5 5 5 6 6 6 7 7 7 8 8 8 6 7 7 8 9 9 3 5 5 6 10 10 116.9614 118.1692 124.8694 124.3087 115.8854 119.8059 114.0501 124.531 121.4189 121.4004 113.3162 125.2835 -DE/DX = -0.0003|-DE/DX = -0.0006|-DE/DX = 0.0009|-DE/DX = 0.0004|-DE/DX = 0.0|-DE/DX = -0.0004|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = -0.0005|-DE/DX = 0.0005 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 1 1 7 7 1 1 6 6 5 5 9 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 9 8 9 2 3 2 3 4 10 4 0.0 180.0005 -179.9989 0.0016 -0.0004 180.0017 -180.0015 0.0006 180.0027 -0.0036 0.0022 -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 0 189.85479999999995 AuxInfo=1/0/N:6,8,5,7,4,1,2,3/E:(7,8)/CRV:1.3,2.3,3.3,4.3/rA:10ClClClClC3C3C3C3HH/rB:;;;s1;s5;s2s3s5;s4s6;s6;s8;/rC:;;;;;;;;;; 0.000000 3.158095 0.000000 4.350672 2.918089 0.000000 4.803294 6.785569 5.473840 0.000000 1.754752 2.722705 2.725802 4.088232 0.000000 2.740503 4.106088 3.133985 2.686279 1.462483 0.000000 2.689095 1.741900 1.739857 5.164203 1.350945 2.485565 0.000000 3.090302 5.228195 4.465079 1.717179 2.506189 1.338633 3.732647 0.000000 3.732135 4.447533 2.684169 2.791077 2.177336 1.087488 2.708617 2.068530 0.000000 2.784580 5.471006 5.239945 2.338392 2.868075 2.159483 4.208354 1.080716 3.077148 0.000000 1.5316466 0.5119501 0.3836993 -9.99995 -9.97287 -9.94490 -9.22763 -9.22187 -9.21423 -9.20819 -7.05370 -7.04801 -7.04018 -7.03912 -7.03888 -7.03362 -7.03344 -7.03285 -7.02591 -7.02541 -7.02052 -7.01921 -0.88834 -0.84146 -0.82704 -0.79740 -0.72579 -0.67474 -0.56241 -0.51794 -0.48452 -0.47141 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107 108 109 110 111 112 113 114 115 116 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|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|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V -100.74749 -100.74185 -100.73401 -100.72737 -10.02699 -9.99995 -9.97287 -9.94490 -9.22763 -9.22187 -9.21423 -9.20819 -7.05370 -7.04801 -7.04018 -7.03912 -7.03888 -7.03362 -7.03344 -7.03285 -7.02591 -7.02541 -7.02052 -7.01921 -0.88834 -0.84146 -0.82704 -0.79740 -0.72579 -0.67474 -0.56241 -0.51794 -0.48452 -0.47141 -0.41830 -0.41621 -0.40468 -0.36928 -0.35351 -0.32893 -0.32297 -0.31135 -0.30806 -0.28794 -0.28049 -0.26818 -0.21788 -0.09464 -0.05165 -0.04267 0.00345 0.01014 0.06138 0.09937 0.15346 0.19786 0.21687 0.24710 0.26107 0.29245 0.29535 0.31714 0.35561 0.35863 0.38848 0.39481 0.39819 0.42932 0.46045 0.49390 0.55751 0.57219 0.61684 0.62878 0.63519 0.65153 0.65448 0.66715 0.68950 0.69896 0.70251 0.71805 0.77362 0.80566 0.86425 0.89258 0.95389 1.05384 1.09162 1.15876 1.23592 1.30807 5.82294 5.83048 5.83734 5.84844 5.85399 5.86276 5.86657 5.87011 5.87643 5.88109 5.89724 5.93834 8.60408 8.77055 8.79847 8.93883 22.22819 22.43951 22.63253 22.68505 217.48692 217.67019 217.70027 217.86976 0.00000 -0.00002 0.39718 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00003 0.00040 -0.11683 -0.00032 0.00000 0.00000 0.00151 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00006 0.00000 0.00000 0.00988 0.01189 0.02282 -0.00406 0.01804 -0.00954 0.00078 0.00979 -0.00134 0.00831 0.00082 -0.00452 0.00000 -0.00301 0.00000 0.00000 0.00074 -0.00008 0.00000 -0.00082 0.00059 0.00000 0.00000 0.00000 -0.00864 -0.00274 0.00001 -0.00121 -0.00670 -0.00066 -0.00455 0.00443 -0.00710 0.00001 -0.00549 0.00000 0.00572 0.00201 -0.00084 -0.00001 -0.00466 0.00945 -0.00002 0.00226 -0.00205 -0.00197 0.00600 0.00613 0.00199 0.00306 -0.00002 0.00002 0.00229 0.00000 -0.00099 0.00140 -0.00001 0.00176 0.00069 0.00595 0.00638 0.01020 0.01080 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1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|3 Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|4 Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|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 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 H 1S|2S|10 H 1S|2S 0.74383 1.22401 0.97475 1.00965 1.09312 0.93008 1.80392 1.78152 1.80261 0.22672 0.22865 0.22743 0.94373 0.65762 0.92069 0.94110 0.52417 0.95832 0.74385 1.22399 0.97483 1.00988 1.09901 0.90579 1.78583 1.79950 1.80235 0.22819 0.22694 0.22745 0.71402 0.88914 0.91737 0.57559 0.82474 0.94694 0.74385 1.22399 0.97486 1.00960 1.09908 0.91018 1.80357 1.78147 1.80277 0.22655 0.22854 0.22731 0.94124 0.65806 0.92383 0.92757 0.49210 0.94801 0.74382 1.22405 0.97401 1.01102 1.09184 0.91635 1.78810 1.79901 1.80158 0.22770 0.22713 0.22762 0.74604 0.88145 0.90616 0.61698 0.83681 0.94831 1.17437 0.81404 0.75318 0.48069 0.93582 0.78081 0.87211 -0.06316 -0.15127 0.23647 1.17433 0.81414 0.75764 0.39432 0.88937 0.94932 0.80136 -0.09202 0.09068 0.22605 1.17433 0.81410 0.73833 0.75773 0.86549 0.79437 0.92425 0.08039 0.03073 0.27787 1.17439 0.81414 0.76166 0.64490 0.85306 0.94192 0.81356 0.02526 0.18520 0.25958 0.50892 0.23290 0.51161 0.19915 -0.2701 0.0545 -0.0004 0.2755 -76.1703 -71.3394 -74.7560 1.4931 -0.0014 -0.0010 -2.0817 2.7491 -0.6674 1.4931 -0.0014 -0.0010 -11.6342 0.3926 0.0302 -11.6887 -7.6284 0.0060 -6.2110 -0.2058 0.0080 0.0041 -2263.2010 -739.9481 -80.4694 1.5502 -0.0278 19.9606 0.0002 -0.0209 0.0007 -492.1436 -395.5465 -146.2176 -0.0074 -0.0124 3.6744 0 0 0 0 0 0 0 0 0 0 189.85479999999995 AuxInfo=1/0/N:6,8,5,7,4,1,2,3/E:(7,8)/CRV:1.3,2.3,3.3,4.3/rA:10ClClClClC3C3C3C3HH/rB:;;;s1;s5;s2s3s5;s4s6;s6;s8;/rC:;;;;;;;;;; 0.000000 3.247204 0.000000 4.466679 3.016481 0.000000 4.885420 6.936685 5.580871 0.000000 1.822238 2.803883 2.776350 4.153425 0.000000 2.801939 4.181398 3.161799 2.765905 1.456992 0.000000 2.747850 1.790907 1.804801 5.267080 1.369144 2.505654 0.000000 3.090562 5.292699 4.517034 1.801998 2.491168 1.359938 3.753015 0.000000 3.799450 4.510640 2.678408 2.903373 2.171702 1.095410 2.721460 2.128449 0.000000 2.719724 5.488786 5.275885 2.448443 2.828868 2.180571 4.193311 1.091307 3.133000 0.000000 1.4535515 0.4934455 0.3683870 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= 110 110 110 110 110 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 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= 2346 NPrTT= 10610 LenC2= 2007 LenP2D= 6294. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 116 RedAO= T EigKep= 2.75D-03 NBF= 116 NBsUse= 116 1.00D-06 EigRej= -1.00D+00 NBFU= 116 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= 111 111 111 111 111 MxSgAt= 10 MxSgA2= 10. 1 Closed 1 0 1 -1993.12648016387 -1993.12834120656 -0.001861042689 -1993.18528958900 -0.056948382434 -1993.21842552393 -0.033135934931 -1993.24481647607 -0.026390952143 -1993.24845138685 -0.003634910777 -1993.24899859302 -0.000547206175 -1993.24901030963 -0.000011716609 -1993.24901200649 -0.000001696860 -1993.24919085555 -0.000178849060 -1993.24919103743 -0.000000181874 -1993.24919099307 0.000000044352 -1993.24919104462 -0.000000051542 -1993.24919104713 -0.000000002515 -1993.24919104722 -0.000000000091 -1993.24919104725 -0.000000000031 -1993.24919104726 -0.000000000003 -1993.24919105 17 1.987955296034e+03 -5.993940100167e+03 1.380140863787e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=24028643. IVT= 60330 IEndB= 60330 NGot= 939524096 MDV= 916435476 LenX= 916435476 LenY= 916421579 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= 6786 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -1.06263131e-01 2.14543311e-02 -1.40626517e-04 1 2 3 4 5 6 7 8 9 10 17 17 17 17 6 6 6 6 1 1 -0.000392167 -0.027867501 0.000005003 0.023698704 -0.012002675 -0.000000916 -0.001584258 0.029135841 0.000012833 -0.035714564 0.022702419 -0.000012050 -0.024374003 0.016602030 0.000021950 0.020105982 0.009521169 -0.000016433 -0.000632120 -0.007567397 -0.000024190 0.010493989 -0.028421491 -0.000005327 0.003780765 0.006349909 0.000005325 0.004617671 -0.008452305 0.000013806 0.035714564 0.014846274 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -1993.25818545646 -1993.25825609855 -0.000070642089 -1993.25824671677 0.000009381775 -1993.25825920376 -0.000012486986 -1993.25825963836 -0.000000434601 -1993.25839452334 -0.000134884987 -1993.25839464773 -0.000000124386 -1993.25839451783 0.000000129899 -1993.25839470019 -0.000000182361 -1993.25839470678 -0.000000006587 -1993.25839470701 -0.000000000231 -1993.25839470706 -0.000000000049 -1993.25839470707 -0.000000000014 -1993.25839470708 -0.000000000005 -1993.25839471 14 1.987382115488e+03 -5.964839567176e+03 1.365940320447e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=24028643. IVT= 60330 IEndB= 60330 NGot= 939524096 MDV= 916435476 LenX= 916435476 LenY= 916421579 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= 6786 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. (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 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 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 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 V V V V V V V V V V V V V V V V V -100.748787 -100.746454 -100.736147 -100.726764 -10.038727 -10.011190 -9.984852 -9.955437 -9.227476 -9.225050 -9.214959 -9.205596 -7.053930 -7.051649 -7.041296 -7.039028 -7.038974 -7.036806 -7.036181 -7.031363 -7.026659 -7.026395 -7.018002 -7.016914 -0.870930 -0.823834 -0.808109 -0.791019 -0.729664 -0.677631 -0.566936 -0.516400 -0.478123 -0.467635 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5S 6S 7PX 7PY 7PZ 8PX 8PY 8PZ 9PX 9PY 9PZ 10PX 10PY 10PZ 3 Cl 1S 2S 3S 4S 5S 6S 7PX 7PY 7PZ 8PX 8PY 8PZ 9PX 9PY 9PZ 10PX 10PY 10PZ 4 Cl 1S 2S 3S 4S 5S 6S 7PX 7PY 7PZ 8PX 8PY 8PZ 9PX 9PY 9PZ 10PX 10PY 10PZ 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 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 8 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 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 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 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 Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|4 Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|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 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 H 1S|2S|10 H 1S|2S 0.74385 1.22399 0.97497 1.00986 1.09454 0.93253 1.80370 1.78054 1.80281 0.22694 0.22909 0.22759 0.93851 0.64015 0.92115 0.95139 0.54765 0.96910 0.74387 1.22397 0.97507 1.00995 1.10230 0.90750 1.78500 1.79912 1.80255 0.22846 0.22714 0.22752 0.70056 0.88214 0.91887 0.59070 0.83515 0.95223 0.74386 1.22397 0.97507 1.00987 1.10005 0.91615 1.80340 1.78045 1.80291 0.22677 0.22899 0.22748 0.93665 0.64012 0.92352 0.93857 0.51780 0.95912 0.74384 1.22402 0.97437 1.01115 1.09257 0.92360 1.78694 1.79859 1.80178 0.22823 0.22748 0.22785 0.72545 0.87227 0.90573 0.64421 0.85828 0.96248 1.17447 0.81404 0.75467 0.49595 0.92817 0.75288 0.86147 -0.08844 -0.13418 0.23918 1.17437 0.81417 0.75984 0.41336 0.88245 0.94787 0.79530 -0.08990 0.08755 0.22675 1.17449 0.81410 0.73471 0.79737 0.84379 0.75656 0.90695 0.06957 0.03855 0.27830 1.17452 0.81414 0.75963 0.68206 0.81313 0.92686 0.79749 0.02639 0.17502 0.26186 0.50337 0.22887 0.50429 0.21390 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 Cl Cl Cl Cl C C C C H H -0.018359 0.087906 0.045242 -0.008844 0.201778 -0.011767 -0.414397 -0.431117 0.267758 0.281801 0.00000 -3.77771447e-02 2.65377991e-03 -1.56676582e-05 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.0960 0.0067 0.0000 0.0963 -77.0437 -71.3486 -75.2374 1.4033 0.0001 -0.0003 -2.5005 3.1946 -0.6942 1.4033 0.0001 -0.0003 -4.5350 0.8707 -0.0137 -11.4113 -8.2652 -0.0047 -5.3672 -0.0908 -0.0042 0.0007 -2348.2777 -774.8015 -81.3270 -1.7624 0.0312 21.7321 0.0210 0.0281 0.0253 -511.9032 -411.1178 -153.3203 0.0063 0.0082 4.0759 0 -1993.2583947 3.106E-9 5.885E-4 -1.8590358,2.3751205,-0.5160847,1.0433361,0.0000989,-0.000216 C01 [X(C4H2Cl4)] -0.0377771 0.0026538 -0.0000157 @ 0.000075831 0.000094517 -0.000000569 -0.001334227 0.000727684 -0.000000732 0.000007652 0.000231328 -0.000000615 0.000097427 -0.000175157 0.000001497 0.000735847 0.001099148 0.000001582 -0.000760701 -0.000452725 -0.000000118 0.001090041 -0.001838941 0.000001533 0.000710096 0.000142840 -0.000005816 -0.000172865 -0.000133978 0.000000670 -0.000449100 0.000305282 0.000002566 189.85479999999995 AuxInfo=1/0/N:6,8,5,7,4,1,2,3/E:(7,8)/CRV:1.3,2.3,3.3,4.3/rA:10ClClClClC3C3C3C3HH/rB:;;;s1;s5;s2s3s5;s4s6;s6;s8;/rC:;;;;;;;;;; Gaussian 09 GINC-KIMIK2029 CBGUSER 000178766 EM64L-G09RevD.01 13-Sep-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 24 C1[X(C4H2Cl4)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 189.85479999999995 0 1 AuxInfo=1/0/N:6,8,5,7,4,1,2,3/E:(7,8)/CRV:1.3,2.3,3.3,4.3/rA:10ClClClClC3C3C3C3HH/rB:;;;s1;s5;s2s3s5;s4s6;s6;s8;/rC:;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-16529.inp" -scrdir="/scratch/" chk=000178766-Freq.chk nprocshared=4 mem=7GB #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 000178766 1 2 3 4 5 6 7 8 9 10 35 35 35 35 12 12 12 12 1 1 34.9688527 34.9688527 34.9688527 34.9688527 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 3 3 3 3 0 0 0 0 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| 0.001849 0.000591 0.010410 0.002908 0.000450 0.000300 0.001800 0.001200 NO NO NO NO -1.514026e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 618.2587608107 116 248 116 47 47 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 0 189.85479999999995 AuxInfo=1/0/N:6,8,5,7,4,1,2,3/E:(7,8)/CRV:1.3,2.3,3.3,4.3/rA:10ClClClClC3C3C3C3HH/rB:;;;s1;s5;s2s3s5;s4s6;s6;s8;/rC:;;;;;;;;;; 0.000000 3.247203 0.000000 4.466679 3.016480 0.000000 4.885420 6.936685 5.580870 0.000000 1.822237 2.803882 2.776350 4.153425 0.000000 2.801939 4.181397 3.161799 2.765905 1.456992 0.000000 2.747850 1.790907 1.804801 5.267079 1.369144 2.505654 0.000000 3.090563 5.292699 4.517034 1.801997 2.491168 1.359939 3.753015 0.000000 3.799451 4.510640 2.678408 2.903372 2.171703 1.095410 2.721461 2.128449 0.000000 2.719724 5.488785 5.275885 2.448443 2.828868 2.180572 4.193311 1.091307 3.133001 0.000000 C4H2Cl4 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 189.85479999999995 AuxInfo=1/0/N:6,8,5,7,4,1,2,3/E:(7,8)/CRV:1.3,2.3,3.3,4.3/rA:10ClClClClC3C3C3C3HH/rB:;;;s1;s5;s2s3s5;s4s6;s6;s8;/rC:;;;;;;;;;; 1.4535514 0.4934456 0.3683871 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= 2346 NPrTT= 10610 LenC2= 2007 LenP2D= 6294. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 116 RedAO= T EigKep= 2.75D-03 NBF= 116 NBsUse= 116 1.00D-06 EigRej= -1.00D+00 NBFU= 116 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= 111 111 111 111 111 MxSgAt= 10 MxSgA2= 10. 1 Closed 1 0 1 -1993.14426409843 -1993.13737137546 0.006892722977 -1993.17963479838 -0.042263422923 -1993.13940381488 0.040230983503 -1993.24417599408 -0.104772179205 -1993.25642153627 -0.012245542192 -1993.25819986330 -0.001778327030 -1993.25826724668 -0.000067383372 -1993.25827668225 -0.000009435571 -1993.25838997642 -0.000113294169 -1993.25839011098 -0.000000134562 -1993.25838980838 0.000000302596 -1993.25839015766 -0.000000349279 -1993.25839016606 -0.000000008400 -1993.25839016639 -0.000000000328 -1993.25839016643 -0.000000000044 -1993.25839016644 -0.000000000007 -1993.25839017 17 1.987382033822e+03 -5.964839309708e+03 1.365940124909e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=24028827. IVT= 60514 IEndB= 60514 NGot= 939524096 MDV= 916435292 LenX= 916435292 LenY= 916421395 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= 6786 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= 939523876 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=23971541. 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= 6786 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= 9.83D-15 3.03D-09 XBig12= 5.18D+02 2.10D+01. AX will form 30 AO Fock derivatives at one time. 30 vectors produced by pass 1 Test12= 9.83D-15 3.03D-09 XBig12= 1.06D+02 2.23D+00. 30 vectors produced by pass 2 Test12= 9.83D-15 3.03D-09 XBig12= 9.52D-01 2.00D-01. 30 vectors produced by pass 3 Test12= 9.83D-15 3.03D-09 XBig12= 2.68D-03 9.17D-03. 30 vectors produced by pass 4 Test12= 9.83D-15 3.03D-09 XBig12= 1.56D-06 2.60D-04. 9 vectors produced by pass 5 Test12= 9.83D-15 3.03D-09 XBig12= 1.71D-10 1.69D-06. 2 vectors produced by pass 6 Test12= 9.83D-15 3.03D-09 XBig12= 1.12D-13 4.26D-08. InvSVY: IOpt=1 It= 1 EMax= 5.33D-15 Solved reduced A of dimension 161 with 33 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 89.38 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 150.118 2.305 90.061 -0.003 -0.005 27.967 319.881 26.855 178.401 -0.011 -0.012 37.064 (Enter /mnt/data/applications/G09/g09/l716.exe) PT167S 2017-09-13T05:17:17.000+02:00 -100.74878 -100.74646 -100.73615 -100.72677 -10.03873 -10.01119 -9.98485 -9.95544 -9.22747 -9.22505 -9.21496 -9.20560 -7.05393 -7.05165 -7.04130 -7.03903 -7.03897 -7.03681 -7.03619 -7.03137 -7.02666 -7.02640 -7.01801 -7.01692 -0.87093 -0.82384 -0.80811 -0.79102 -0.72966 -0.67763 -0.56694 -0.51640 -0.47812 -0.46764 -0.41701 -0.40793 -0.39628 -0.37052 -0.34490 -0.32245 -0.32205 -0.31090 -0.30817 -0.28938 -0.28316 -0.27298 -0.22411 -0.10532 -0.08247 -0.07133 -0.02570 -0.00655 0.03356 0.09373 0.14902 0.19207 0.21275 0.24629 0.24973 0.29176 0.29643 0.32116 0.35075 0.35407 0.38300 0.39387 0.39849 0.43166 0.45835 0.47607 0.54247 0.56910 0.61720 0.62828 0.63238 0.64989 0.65440 0.66499 0.69047 0.69767 0.69986 0.71948 0.76795 0.79464 0.85454 0.88161 0.94403 1.03032 1.07499 1.13570 1.22315 1.29907 5.82123 5.82372 5.83587 5.84404 5.84910 5.86234 5.86547 5.87293 5.87618 5.88290 5.89407 5.93584 8.58539 8.74099 8.75933 8.89123 22.21523 22.43020 22.60754 22.66616 217.46244 217.63202 217.65091 217.81049 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 Cl Cl Cl Cl C C C C H H -0.018362 0.087910 0.045253 -0.008857 0.201789 -0.011757 -0.414418 -0.431116 0.267756 0.281803 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 Cl Cl Cl Cl C C C C -0.018362 0.087910 0.045253 -0.008857 0.201789 0.255999 -0.414418 -0.149313 0.00000 -3.77906418e-02 1.81886975e-03 -1.57972114e-05 1.50118485e+02 2.30547988e+00 9.00613861e+01 -3.42584917e-03 -4.62054317e-03 2.79673589e+01 -0.0044 -0.0035 -0.0030 3.8454 7.3666 14.1749 66.4977 95.7893 129.8509 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 66.4714 95.7893 129.8387 160.1862 192.5414 233.4472 272.6482 331.7634 357.7527 364.2286 531.4263 567.0346 698.8485 798.1300 818.0239 856.7608 928.4685 1166.9922 1216.4094 1281.8896 1563.1546 1620.7716 3151.0332 3203.7806 30.3070 23.0193 2.4933 6.2624 24.4096 23.7121 15.5309 8.1636 18.7787 9.9040 7.1531 10.1671 7.7690 1.8314 6.9490 10.7243 1.1165 7.0922 1.1291 1.2222 10.3600 7.2933 1.0908 1.0946 0.0789 0.1244 0.0248 0.0947 0.5332 0.7614 0.6802 0.5294 1.4161 0.7741 1.1902 1.9261 2.2355 0.6874 2.7397 4.6381 0.5671 5.6907 0.9843 1.1833 14.9146 11.2880 6.3810 6.6199 0.0010 0.7595 0.0825 0.3315 0.2857 0.0139 0.2831 2.0619 0.3751 1.7007 0.6438 58.2425 67.5444 11.0524 121.9773 43.4631 80.7215 11.2145 9.5126 4.5066 74.5686 21.5095 3.3916 7.4301 17 17 17 17 6 6 6 6 1 1 0.00 0.00 0.40 0.00 0.00 -0.63 0.00 0.00 0.36 0.00 0.00 -0.36 0.00 0.00 0.26 0.00 0.00 0.24 0.00 0.00 0.06 0.00 0.00 0.09 0.00 0.00 0.16 0.00 0.00 0.13 -0.17 0.27 0.00 -0.08 -0.20 0.00 0.43 0.10 0.00 -0.20 -0.44 0.00 -0.04 0.29 0.00 -0.05 0.28 0.00 0.06 0.12 0.00 0.06 0.08 0.00 -0.12 0.28 0.00 0.35 0.06 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 -0.06 0.00 0.00 0.17 0.00 0.00 -0.69 0.00 0.00 0.63 0.00 0.00 0.16 0.00 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 0.14 0.00 0.00 -0.19 0.00 0.00 -0.24 0.00 0.00 -0.10 0.00 0.00 -0.46 0.00 0.00 0.05 0.00 0.00 -0.79 0.62 0.05 0.00 -0.33 -0.25 0.00 0.12 0.08 0.00 -0.17 0.15 0.00 -0.10 0.03 0.00 -0.19 -0.15 0.00 -0.15 0.12 0.00 -0.23 -0.09 0.00 -0.21 -0.14 0.00 -0.35 -0.08 0.00 0.04 -0.20 0.00 0.26 0.37 0.00 0.36 -0.15 0.00 -0.45 0.09 0.00 -0.08 -0.13 0.00 -0.16 -0.12 0.00 -0.03 -0.13 0.00 -0.31 0.07 0.00 -0.03 -0.10 0.00 -0.44 0.07 0.00 0.16 0.13 0.00 0.25 -0.18 0.00 -0.29 -0.17 0.00 -0.27 -0.03 0.00 0.07 0.07 0.00 0.11 0.32 0.00 0.17 -0.12 0.00 0.04 0.40 0.00 0.28 0.31 0.00 0.16 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 -0.09 0.00 0.00 -0.07 0.00 0.00 0.05 0.00 0.00 0.25 0.00 0.00 -0.29 0.00 0.00 0.65 0.00 0.00 -0.15 0.00 0.00 -0.60 0.00 0.00 0.16 0.03 0.45 0.00 0.00 0.14 0.00 0.02 -0.46 0.00 0.15 0.02 0.00 -0.16 0.12 0.00 -0.21 -0.10 0.00 -0.09 -0.11 0.00 -0.09 -0.29 0.00 -0.47 -0.10 0.00 -0.13 -0.29 0.00 -0.08 0.12 0.00 0.26 -0.17 0.00 -0.04 0.18 0.00 -0.06 0.08 0.00 0.06 0.06 0.00 -0.15 -0.31 0.00 0.12 0.06 0.00 -0.18 -0.35 0.00 -0.40 -0.31 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