Gaussian 09 GINC-KIMIK2032 CBGUSER 000078579 EM64L-G09RevD.01 13-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 72.0196 0 1 AuxInfo=1/0/N:4,5,2,3,1/CRV:2.3,4.1/rA:9OOO1CC3HHHH/rB:;;s1;s1s2s3;s4;s4;s4;s2;/rC:;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-13212.inp" -scrdir="/scratch/" chk=000078579.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 000078579 1 2 3 4 5 6 7 8 9 16 16 16 12 12 1 1 1 1 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 0 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 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 1 1 2 2 3 4 4 4 4 5 5 9 5 6 7 8 1.4313 1.3597 1.3557 0.981 1.2223 1.0942 1.0933 1.0942 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 4 5 1 1 1 6 6 7 1 1 2 1 2 4 4 4 4 4 4 5 5 5 5 9 6 7 8 7 8 8 2 3 3 115.4039 111.92 110.2496 108.1209 110.2562 108.7281 110.6951 108.7237 108.83 127.0805 124.0895 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 5 5 5 4 4 9 9 1 1 1 1 1 2 2 4 4 4 5 5 5 5 6 7 8 2 3 1 3 -61.26 -179.9988 61.2639 179.9822 -0.003 -179.9879 -0.0022 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 36 100 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 9 9 9 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= 741 NPrTT= 3858 LenC2= 734 LenP2D= 2970. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 58 RedAO= T EigKep= 1.11D-02 NBF= 58 NBsUse= 58 1.00D-06 EigRej= -1.00D+00 NBFU= 58 Using GEDIIS/GDIIS optimizer. local minimum Step number 6 out of a maximum of 36 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.01278 0.02225 0.02277 0.10019 0.10210 0.10796 0.11472 0.15397 0.16110 0.16124 0.22352 0.24878 0.26468 0.33661 0.34333 0.34821 0.36690 0.47562 0.51815 0.52852 0.86384 RFO step: Lambda=-1.71098124D-07. 1 2 0.00034094 0.00000011 0.00000034 0.00000033 R1 R2 R3 R4 R5 R6 R7 R8 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 D1 D2 D3 D4 D5 D6 D7 2.80223 2.59751 2.62502 1.87486 2.36522 2.08387 2.07510 2.08387 1.99907 1.89044 1.92474 1.82307 1.92473 1.94017 1.90979 1.94017 1.88055 2.21395 2.18869 -1.05559 3.14159 1.05559 3.14121 0.00031 -3.14121 -0.00029 0.00020 -0.00004 0.00013 -0.00003 0.00005 0.00001 0.00007 0.00001 0.00008 0.00005 -0.00003 -0.00003 -0.00002 0.00001 0.00005 0.00001 -0.00001 -0.00001 0.00002 -0.00002 0.00000 0.00002 0.00004 -0.00003 -0.00004 0.00003 0.00058 -0.00005 0.00015 0.00005 -0.00005 -0.00009 -0.00011 -0.00009 -0.00021 -0.00014 -0.00019 -0.00007 -0.00018 0.00016 0.00012 0.00015 0.00012 0.00012 -0.00024 0.00005 0.00001 -0.00004 0.00036 -0.00030 -0.00036 0.00030 0.00025 -0.00007 0.00020 -0.00009 0.00008 0.00009 0.00028 0.00009 0.00033 0.00032 -0.00013 -0.00029 -0.00013 0.00003 0.00043 0.00003 -0.00014 -0.00005 0.00019 -0.00019 0.00000 0.00019 0.00002 0.00000 -0.00002 0.00000 0.00083 -0.00012 0.00035 -0.00003 0.00003 -0.00001 0.00017 -0.00001 0.00012 0.00018 -0.00032 -0.00036 -0.00031 0.00019 0.00056 0.00019 -0.00002 0.00008 -0.00005 -0.00014 0.00001 0.00015 0.00038 -0.00031 -0.00038 0.00030 2.80307 2.59739 2.62537 1.87483 2.36525 2.08386 2.07527 2.08386 1.99918 1.89061 1.92442 1.82272 1.92442 1.94036 1.91035 1.94036 1.88053 2.21402 2.18863 -1.05573 -3.14159 1.05574 -3.14159 0.00000 -3.14159 0.00001 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000201 0.000058 0.000680 0.000341 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.830552e-07 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 1 1 2 2 3 4 4 4 4 5 5 9 5 6 7 8 1.4829 1.3745 1.3891 0.9921 1.2516 1.1027 1.0981 1.1027 -DE/DX = 0.0002|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-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 4 5 1 1 1 6 6 7 1 1 2 1 2 4 4 4 4 4 4 5 5 5 5 9 6 7 8 7 8 8 2 3 3 114.538 108.3141 110.2793 104.4545 110.2786 111.1634 109.4231 111.1636 107.7478 126.8497 125.4025 -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 = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 5 5 5 4 4 9 1 1 1 1 1 2 4 4 4 5 5 5 6 7 8 2 3 1 -60.481 -180.0001 60.4808 -180.0218 0.0177 -179.9779 -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 72.0196 AuxInfo=1/0/N:4,5,2,3,1/CRV:2.3,4.1/rA:9OOO1CC3HHHH/rB:;;s1;s1s2s3;s4;s4;s4;s2;/rC:;;;;;;;;; 0.000000 2.208300 0.000000 2.312315 2.278068 0.000000 1.431276 3.528478 2.729212 0.000000 1.359666 1.355723 1.222307 2.359439 0.000000 2.080849 3.890175 2.731564 1.094207 2.660381 0.000000 2.053596 4.261611 3.799362 1.093304 3.268750 1.777868 0.000000 2.080909 3.890471 2.731657 1.094178 2.660495 1.800200 1.777795 0.000000 3.081554 0.981045 2.409212 4.290604 1.947681 4.538227 5.121578 4.538593 0.000000 10.9200150 4.2817976 3.1381498 -1.07426 -0.99088 -0.96003 -0.69024 -0.58112 -0.50427 -0.45799 -0.42960 -0.40401 -0.39480 -0.36285 -0.31360 -0.28697 -0.26998 -0.24882 -0.02380 0.01670 0.07195 0.09882 0.14855 0.16964 0.17522 0.21084 0.22799 0.24429 0.27654 0.28946 0.31693 0.37681 0.42783 0.54558 0.59243 0.61842 0.62769 0.68315 0.71359 0.77244 0.80792 0.81563 0.84566 0.89935 1.00914 1.04504 1.06572 1.16310 1.55576 1.60094 1.68923 22.30563 22.49126 41.43687 41.48107 41.50281 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 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 -18.82060 -18.81860 -18.76925 -10.08191 -9.95659 -1.07426 -0.99088 -0.96003 -0.69024 -0.58112 -0.50427 -0.45799 -0.42960 -0.40401 -0.39480 -0.36285 -0.31360 -0.28697 -0.26998 -0.24882 -0.02380 0.01670 0.07195 0.09882 0.14855 0.16964 0.17522 0.21084 0.22799 0.24429 0.27654 0.28946 0.31693 0.37681 0.42783 0.54558 0.59243 0.61842 0.62769 0.68315 0.71359 0.77244 0.80792 0.81563 0.84566 0.89935 1.00914 1.04504 1.06572 1.16310 1.55576 1.60094 1.68923 22.30563 22.49126 41.43687 41.48107 41.50281 0.58053 0.00052 0.00000 -0.00002 -0.00001 -0.07029 -0.09586 0.04260 0.00835 -0.03623 0.03412 -0.00001 -0.01964 0.01559 0.00000 0.02020 -0.03525 0.00000 0.00000 0.00433 0.00003 0.04528 -0.04151 0.00080 0.01507 -0.00776 -0.00001 0.00001 0.02378 -0.02847 -0.03027 0.00000 -0.00819 0.01269 0.00517 0.01262 -0.00211 -0.01506 -0.00001 -0.00001 0.01901 -0.01200 -0.00718 0.00000 0.00234 0.00967 -0.01240 0.00000 -0.00399 0.02426 0.02270 -0.08213 0.12098 -0.00051 -0.00058 -0.46936 -1.56140 -0.58061 0.45926 0.00042 0.00000 -0.00002 -0.00001 -0.09321 -0.12768 0.05678 0.01127 -0.04882 0.04566 -0.00001 -0.02661 0.02089 0.00000 0.02693 -0.04738 -0.00001 0.00000 0.00600 0.00004 0.06101 -0.05530 0.00054 0.01993 -0.01024 -0.00001 0.00001 0.03180 -0.03883 -0.04222 0.00001 -0.01373 0.01945 0.00591 0.01658 -0.00193 -0.02113 -0.00001 -0.00001 0.02663 -0.01846 -0.00901 0.00000 0.00265 0.01459 -0.02155 -0.00001 -0.00594 0.03899 0.03928 -0.13793 0.20403 0.00048 0.00028 0.51119 1.70287 0.63365 0.00897 -0.00007 0.00004 0.00040 0.00032 0.26445 0.37101 -0.16612 -0.03539 0.14843 -0.13413 0.00003 0.08489 -0.06152 0.00000 -0.07445 0.14337 0.00002 0.00000 -0.02472 -0.00011 -0.17868 0.14730 0.01001 -0.04501 0.02736 0.00003 -0.00004 -0.08506 0.12097 0.16169 -0.00002 0.11293 -0.11818 0.02179 -0.03153 -0.01541 0.08063 0.00003 0.00005 -0.09875 0.11022 0.00656 -0.00001 0.02337 -0.07880 0.19486 0.00003 0.03519 -0.28346 -0.37293 1.20305 -1.82332 -0.02517 -0.00937 -0.12463 -0.42233 -0.16278 -0.00737 0.00010 -0.00041 -0.00096 0.00001 0.22710 0.28626 -0.11779 -0.02344 0.16276 -0.18549 0.00005 0.05964 -0.09282 -0.00001 -0.17502 0.17972 0.00003 -0.00003 0.05506 -0.00037 -0.57605 0.72243 -0.06388 -0.32571 0.10659 0.00015 -0.00009 -0.51586 0.50667 0.18584 -0.00010 -0.54870 0.31104 -0.67212 -0.45975 -0.00637 0.09618 -0.00014 0.00005 -0.14436 -0.08199 0.39888 0.00019 -0.68703 -0.27189 -0.54027 0.00005 -0.14624 0.29412 0.79016 -2.15709 3.38800 0.05456 -0.02177 0.15718 0.48416 0.20429 0.00006 -0.00003 -0.00004 -0.00037 0.00030 0.03949 -0.01088 -0.00914 -0.33616 -0.05015 0.36711 -0.00001 0.15955 -0.19531 -0.00004 -0.13148 0.03208 0.00004 -0.00006 0.08188 -0.00004 0.00033 -0.22219 0.23174 -0.29908 -0.05853 0.00005 -0.00006 -0.10610 0.34743 -0.09960 -0.00004 -0.16589 0.10868 0.39795 -0.10250 0.04803 0.17151 0.00018 0.00006 0.39469 0.18659 -0.23086 0.00011 -0.11274 0.14445 -0.08068 0.00009 0.33000 -0.54277 0.13411 -0.02327 0.03084 0.01849 -0.01414 0.00347 -0.00202 0.00249 -0.00163 0.00003 -0.00001 0.00015 0.00002 -0.09543 -0.12324 0.03071 0.00314 -0.03192 -0.17822 0.00004 0.22869 -0.20820 -0.00004 -0.06777 0.46150 0.00004 0.00000 -0.28627 0.00013 0.17804 -0.19819 0.04238 0.08258 0.10213 -0.00002 0.00007 -0.00297 -0.24855 -0.20188 -0.00003 -0.28012 0.11176 -0.11131 -0.26403 0.19645 0.40646 0.00026 0.00012 -0.47898 0.11737 0.11013 -0.00026 0.20852 0.25796 -0.15465 0.00001 0.15369 -0.07482 0.01957 0.02515 0.03848 -0.00828 0.00043 0.00064 0.00458 0.00484 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00003 0.00001 0.00004 0.34855 -0.00001 0.00000 0.07811 -0.00003 0.00003 -0.17998 0.58939 0.00004 -0.29808 0.00017 -0.00003 0.00002 0.00005 -0.00001 -0.20899 -0.05413 0.00000 0.00006 -0.00003 -0.07518 -0.00003 0.00007 -0.00003 -0.00005 -0.00001 0.00013 -0.04520 -0.64128 -0.00015 0.00007 0.00003 0.61740 0.00022 0.00016 0.00000 -0.06171 0.00002 0.00000 0.00004 0.00001 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00011 -0.00006 -0.00001 0.00019 -0.00090 0.01852 -0.00948 0.02753 -0.03023 -0.01167 0.05818 0.00000 0.03853 -0.05084 -0.00002 -0.05260 0.00775 0.00001 -0.00004 0.07641 -0.00004 0.06500 -0.28565 0.60812 -0.47302 -0.18029 0.00008 -0.00003 -0.31390 0.28320 0.40052 -0.00016 -0.50894 -0.10452 -0.07910 -0.01242 -0.03116 -0.24834 -0.00018 -0.00022 -0.56363 -0.71648 1.31265 -0.00054 0.90224 -0.86354 -0.02181 -0.00038 -1.17217 2.45902 -0.65384 -0.06395 -0.14159 -0.00902 0.06117 0.00173 0.01671 -0.01237 0.00212 -0.00018 0.00046 0.00097 0.00093 -0.02501 -0.01498 0.00141 -0.00661 0.00357 -0.05137 0.00001 0.12053 -0.06218 -0.00001 -0.03072 0.20084 0.00001 0.00000 -0.14959 0.00011 0.16032 -0.13236 0.00542 0.14326 0.22183 -0.00003 0.00011 -0.12771 -0.28535 -0.26332 -0.00001 -0.04855 -0.06258 0.19510 0.54774 -0.37331 -0.56224 -0.00027 -0.00020 1.09935 -0.30038 -0.43713 0.00057 -0.23554 -0.63324 0.48039 -0.00008 -0.41456 0.16920 -0.39083 0.10382 -0.92604 -0.04540 -0.02248 -0.02704 -0.07091 -0.08022 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.11711 0.00000 0.00000 0.03747 -0.00002 0.00001 -0.08842 0.32217 0.00003 -0.19160 0.00013 -0.00003 0.00006 0.00005 -0.00002 -0.27677 -0.33674 -0.00004 -0.00001 -0.00002 -0.04589 -0.00002 0.00000 0.00004 0.00008 0.00000 -0.00023 0.10256 0.99785 0.00031 -0.00020 -0.00004 -1.38124 -0.00043 -0.00040 0.00000 0.12254 -0.00008 0.00005 -0.00023 0.00003 -0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00001 -0.00051 0.58053 0.00002 -0.00002 0.00000 -0.07130 0.08730 0.06290 -0.01930 -0.01328 -0.00470 0.00000 -0.02174 -0.02870 0.00000 -0.04572 -0.00933 0.00000 0.00000 -0.00344 0.00003 0.05160 0.01628 -0.00328 0.02475 0.00934 0.00000 0.00000 0.02706 0.03407 -0.00163 0.00000 0.00982 -0.00694 -0.01216 0.00166 -0.00584 -0.00094 0.00000 -0.00001 -0.00658 0.02083 0.00994 -0.00002 0.01754 -0.04210 -0.03245 0.00001 0.00775 0.00676 0.09122 -0.07952 -0.07379 -0.00030 -0.00127 -1.57887 0.22468 0.67222 -0.00040 0.45928 0.00003 -0.00003 0.00002 -0.09464 0.11629 0.08390 -0.02590 -0.01769 -0.00600 0.00000 -0.02937 -0.03871 0.00000 -0.06142 -0.01264 0.00000 0.00000 -0.00472 0.00004 0.06908 0.02162 -0.00455 0.03284 0.01247 0.00000 0.00000 0.03711 0.04619 -0.00242 0.00000 0.01106 -0.01156 -0.01704 0.00165 -0.00630 -0.00276 -0.00001 -0.00001 -0.00909 0.03122 0.01472 -0.00002 0.02682 -0.06427 -0.05040 0.00001 0.01085 0.01426 0.15486 -0.13356 -0.12460 0.00044 0.00020 1.71945 -0.24502 -0.73357 -0.00008 0.00879 -0.00008 0.00050 -0.00020 0.26992 -0.33756 -0.24594 0.07705 0.05094 0.01314 0.00000 0.09247 0.11735 0.00000 0.18390 0.04196 0.00000 0.00001 0.01953 -0.00011 -0.18675 -0.05311 0.01429 -0.08161 -0.03214 0.00001 0.00000 -0.12325 -0.14063 0.01206 0.00001 0.02519 0.09689 0.07025 0.00977 -0.02281 0.04685 0.00006 0.00006 0.03101 -0.16636 -0.07334 0.00013 -0.16539 0.38699 0.32309 -0.00009 -0.03966 -0.18872 -1.37829 1.16601 1.11114 -0.02592 0.01243 -0.41088 0.06103 0.18288 0.00011 -0.00685 -0.00004 -0.00139 0.00073 0.22712 -0.26807 -0.18170 0.08566 0.07486 0.04895 0.00002 0.07114 0.16037 -0.00001 0.26145 -0.00093 -0.00003 0.00002 -0.05902 -0.00044 -0.83183 -0.36355 0.06492 -0.49544 -0.22300 -0.00007 0.00015 -0.30864 -0.60168 -0.04459 -0.00009 -0.74428 -0.60707 0.04002 -0.11451 0.21254 -0.24501 -0.00014 -0.00005 0.06258 -0.23914 -0.11073 0.00014 0.23806 -0.65388 -0.33791 0.00008 -0.15423 0.75259 2.45036 -2.09054 -2.00097 0.06498 -0.03722 0.46074 -0.06476 -0.20152 0.00003 -0.00005 0.00004 0.00034 -0.00006 -0.03891 -0.00949 0.00636 0.18994 0.44589 0.23793 0.00006 -0.00191 -0.18703 -0.00010 -0.08954 0.04263 0.00015 -0.00003 0.07139 -0.00003 -0.12878 -0.31916 -0.06193 0.30565 0.12613 -0.00002 -0.00002 0.13649 0.23946 -0.03279 -0.00008 -0.16691 -0.09859 -0.17026 0.16512 0.03517 -0.36652 -0.00042 0.00002 -0.10140 -0.41325 0.40245 0.00004 -0.25376 0.37465 -0.01015 0.00001 0.15907 -0.30818 0.07895 -0.05144 -0.08414 -0.01722 0.00298 0.00280 -0.00223 -0.00501 0.00003 -0.00165 -0.00001 0.00022 0.00000 -0.10179 0.12099 0.05972 -0.03100 0.02289 0.07710 0.00001 0.22103 0.14755 -0.00003 0.44868 0.23199 0.00002 -0.00001 0.30209 0.00014 0.23615 0.12763 -0.05460 0.09868 0.07577 0.00000 0.00000 -0.00986 0.14294 0.10921 -0.00008 -0.24234 -0.22250 -0.06974 -0.07603 0.53422 -0.42159 -0.00020 -0.00009 0.08152 0.43928 -0.13860 -0.00011 0.09197 0.15441 0.07243 -0.00004 -0.06583 0.11685 -0.00164 0.04894 -0.00224 -0.01156 0.00130 0.00384 -0.00340 -0.00040 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00004 -0.00010 -0.00006 0.21148 -0.00003 0.00013 -0.29100 -0.00002 -0.00006 0.61247 -0.02671 -0.00002 -0.29365 0.00019 0.00004 -0.00002 -0.00001 -0.00002 -0.02147 -0.03767 -0.00001 -0.00011 -0.00003 -0.16702 0.00005 -0.00004 0.00015 0.00012 0.00008 0.00052 -0.73635 0.37622 0.00008 0.00027 0.00014 0.30440 0.00018 -0.00005 -0.00009 -0.01961 -0.00004 0.00009 -0.00002 0.00003 0.00006 0.00000 0.00000 0.00000 0.00000 0.00000 0.00009 0.00060 0.00012 0.00037 0.00017 -0.00894 -0.00367 -0.02837 0.03158 0.09358 0.05234 0.00001 -0.00328 -0.04542 -0.00004 -0.00733 0.02441 0.00009 -0.00001 0.05962 -0.00006 -0.24344 -0.45528 -0.12417 0.62326 0.24906 0.00003 -0.00007 0.35469 0.49182 0.09374 -0.00003 0.40674 0.12516 0.00618 0.00783 -0.23446 0.99585 0.00095 0.00010 0.24899 1.09398 -1.09635 -0.00025 0.77951 -0.32076 0.35592 -0.00019 -0.69289 1.26154 -0.49612 0.48399 0.27766 -0.01384 0.00096 -0.05867 0.00272 0.02547 -0.00018 0.00183 0.00035 0.00078 -0.00015 -0.02460 0.01513 0.00623 -0.00591 -0.00313 0.01121 0.00000 0.11520 0.07219 -0.00001 0.17775 0.10555 0.00001 -0.00001 0.14852 0.00016 0.31969 0.16689 -0.08275 0.13853 0.12620 0.00000 -0.00002 -0.07181 0.20555 0.12694 -0.00006 -0.08432 0.03096 0.04858 0.24405 -0.83893 0.68716 0.00038 0.00011 -0.13434 -0.71118 0.30669 0.00022 -0.21676 -0.67496 -0.25232 0.00017 0.27215 -0.70170 -0.71349 0.01420 0.45161 -0.03245 0.00880 -0.07745 0.04118 0.00133 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00002 -0.00001 0.06985 -0.00001 0.00005 -0.12404 -0.00001 -0.00004 0.33141 -0.00835 -0.00002 -0.22554 0.00018 0.00009 -0.00003 -0.00010 -0.00005 0.03147 -0.10190 -0.00002 -0.00015 -0.00005 -0.13617 -0.00008 -0.00001 -0.00005 -0.00016 -0.00008 -0.00085 1.06263 -0.62382 -0.00015 -0.00062 -0.00027 -0.76847 -0.00046 -0.00006 0.00017 0.01344 0.00017 -0.00033 0.00004 -0.00013 -0.00021 0.00001 -0.00001 0.00001 -0.00001 -0.00002 0.00000 -0.00002 0.58054 -0.00007 0.00000 -0.05714 0.01054 -0.10751 -0.01362 -0.01454 0.01142 0.00000 -0.06685 -0.02794 0.00000 0.01771 0.01336 0.00000 0.00000 -0.00006 0.00001 0.01624 -0.00587 -0.01880 0.02431 0.03131 -0.00001 0.00001 -0.03270 -0.01012 0.01720 -0.00001 -0.01536 0.00209 0.03435 -0.02737 -0.01096 -0.01219 -0.00001 0.00000 0.00502 -0.01274 0.01272 0.00000 0.00292 -0.01960 -0.00342 0.00000 0.00058 0.01383 0.10511 0.09699 0.04102 -0.00745 -0.00057 -0.53108 0.71189 -1.48533 -0.00001 -0.00001 0.45930 -0.00003 0.00001 -0.07575 0.01406 -0.14325 -0.01825 -0.01946 0.01538 0.00000 -0.08960 -0.03727 -0.00001 0.02351 0.01777 0.00000 0.00000 -0.00008 0.00002 0.02174 -0.00809 -0.02502 0.03269 0.04211 -0.00001 0.00001 -0.04280 -0.01334 0.02239 -0.00001 -0.01899 0.00284 0.04641 -0.03965 -0.01204 -0.01668 -0.00001 -0.00001 0.00879 -0.02044 0.01989 0.00000 0.00506 -0.02957 -0.00669 0.00000 0.00127 0.02350 0.17705 0.16195 0.06917 0.00226 0.00007 0.57746 -0.77512 1.61837 0.00008 -0.00004 0.00861 0.00002 -0.00005 0.21739 -0.04188 0.42089 0.05496 0.05771 -0.04700 0.00001 0.26460 0.10732 0.00002 -0.06668 -0.05295 -0.00001 0.00000 0.00003 -0.00005 -0.06052 0.02647 0.06058 -0.08700 -0.11812 0.00003 -0.00002 0.09547 0.02985 -0.04216 0.00002 0.01196 -0.00741 -0.12936 0.18011 -0.03921 0.05571 0.00002 0.00003 -0.07288 0.14101 -0.12981 0.00004 -0.04492 0.16123 0.07488 0.00000 -0.01851 -0.20317 -1.54141 -1.38492 -0.61605 0.00150 0.00441 -0.13340 0.18101 -0.39073 -0.00051 -0.00012 -0.00665 -0.00041 -0.00061 0.15604 -0.01883 0.26359 0.02364 0.04632 -0.04538 0.00003 0.36319 0.15265 0.00002 -0.08521 -0.04816 0.00001 0.00000 0.00321 -0.00018 -0.23867 0.06909 0.45615 -0.47535 -0.55369 0.00014 -0.00010 0.79000 0.26833 -0.56942 0.00036 0.68822 -0.12392 -0.86565 -0.25885 0.53555 -0.01354 -0.00011 0.00004 0.17572 -0.06321 0.11897 -0.00014 0.27063 0.39572 -0.39265 -0.00007 0.17380 0.57254 2.90448 2.53176 1.18825 0.03188 0.01515 0.15714 -0.19053 0.45534 -0.00006 0.00004 -0.00007 -0.00005 0.00005 -0.00406 -0.02078 -0.00997 0.01066 -0.03549 -0.13742 0.00003 -0.00592 -0.06714 -0.00001 -0.22393 0.09373 -0.00003 -0.00009 0.65016 -0.00005 -0.03459 -0.13433 -0.07206 -0.03978 0.02287 -0.00005 0.00005 -0.02516 -0.27438 -0.22189 0.00006 0.12182 -0.12046 0.02249 -0.05289 -0.05107 0.19063 0.00024 -0.00015 0.15063 0.42695 0.61084 -0.00010 -0.25794 -0.06096 0.19330 -0.00003 -0.18049 -0.03191 -0.00235 -0.03397 0.06141 0.00129 -0.00252 -0.00131 0.00460 0.00271 -0.00005 -0.00004 0.00181 -0.00045 -0.00007 0.11914 -0.01991 0.18843 -0.00417 -0.01757 0.01324 -0.00002 -0.35760 -0.22529 -0.00002 0.23925 0.27275 0.00007 0.00004 0.03655 -0.00005 -0.04887 0.05694 0.11057 -0.23455 -0.09195 0.00003 -0.00002 -0.08373 0.05364 -0.11224 0.00003 -0.03663 -0.00191 -0.08825 0.49997 -0.55003 -0.18795 -0.00009 0.00000 -0.28245 0.41139 -0.08203 -0.00022 0.17628 0.35644 0.02583 -0.00003 0.00749 -0.00887 0.12842 0.03908 0.03745 0.03842 -0.00017 0.00125 0.00309 -0.00223 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00002 0.00000 0.00000 0.00001 0.21573 -0.00006 0.00004 -0.23479 0.00003 0.00003 -0.38086 -0.39536 -0.00008 -0.45671 0.00024 -0.00002 -0.00002 0.00006 0.00002 0.00705 -0.06753 0.00003 0.00002 -0.00004 -0.09145 0.00004 0.00003 -0.00003 0.00003 0.00002 -0.00044 0.49160 0.48802 -0.00013 0.00009 0.00021 0.54199 0.00019 0.00001 -0.00001 0.11675 -0.00003 0.00001 0.00003 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00061 -0.00052 0.00013 0.00002 0.00018 -0.00189 -0.00084 0.00068 -0.00285 -0.00027 -0.02884 0.00001 0.00046 -0.03562 0.00000 -0.09062 0.03443 -0.00002 -0.00003 0.29196 -0.00004 -0.02660 -0.03799 -0.08299 -0.06213 -0.00636 -0.00006 0.00009 0.06000 -0.40114 -0.19406 0.00000 -0.05077 -0.30614 0.28783 0.07827 0.05841 -0.25560 -0.00027 0.00021 -0.34112 -0.92442 -1.31743 0.00029 0.43578 0.16149 -0.18861 0.00007 0.54109 0.03093 0.19289 -0.00633 -0.65381 -0.00249 -0.00850 0.02538 -0.04848 -0.04114 -0.00018 -0.00013 -0.00202 -0.00102 -0.00006 0.01576 0.00180 -0.01295 -0.01692 -0.01753 0.00832 0.00000 -0.10962 -0.06397 -0.00001 0.05969 0.07338 0.00003 0.00002 0.01720 -0.00006 -0.07527 0.05663 0.24714 -0.36116 -0.23408 0.00005 -0.00002 0.14032 0.04446 -0.17671 0.00008 -0.04689 -0.18239 -0.72851 0.37167 0.99055 0.54795 0.00039 0.00000 0.44966 -0.76119 0.20448 0.00036 -0.24049 -0.60376 -0.12466 0.00005 0.00319 0.21843 0.65007 0.41089 0.25493 0.03930 -0.00209 0.05015 -0.02637 0.08575 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.05873 -0.00002 0.00001 -0.07839 0.00002 0.00001 -0.17930 -0.20097 -0.00004 -0.34300 0.00018 -0.00002 0.00000 0.00005 0.00000 -0.03604 -0.12355 0.00004 0.00002 -0.00004 -0.17388 0.00006 0.00001 -0.00006 0.00004 0.00000 0.00055 -0.57328 -0.74295 0.00023 -0.00018 -0.00044 -1.21248 -0.00041 -0.00004 0.00006 -0.20671 0.00007 -0.00002 -0.00006 0.00015 0.00004 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00001 0.00000 0.00000 -0.00001 0.60040 -0.01855 -0.03350 0.01218 -0.09889 0.06243 -0.02734 0.00000 -0.00130 -0.00062 0.00000 0.00049 0.00560 0.00000 0.00000 -0.00838 -0.00001 -0.02086 0.02120 -0.09250 -0.02830 0.00744 -0.00001 0.00000 -0.00734 -0.00149 0.02042 0.00001 0.03314 -0.00861 -0.01803 0.00924 0.00574 -0.00425 0.00000 -0.00001 0.04615 -0.02160 0.05267 -0.00005 0.13193 0.01297 0.01982 -0.00001 0.01808 -0.01970 -0.00719 -0.00744 0.01001 -0.13735 -1.75598 0.00167 -0.00072 0.00040 0.00000 0.00001 0.00002 0.00002 0.43408 -0.02308 -0.04216 0.01534 -0.12506 0.07931 -0.03472 0.00000 -0.00176 -0.00092 0.00000 0.00044 0.00735 0.00000 0.00000 -0.01092 -0.00002 -0.02801 0.02840 -0.12242 -0.03782 0.01028 -0.00001 0.00000 -0.01036 -0.00283 0.02865 0.00002 0.04614 -0.00886 -0.02270 0.01548 0.00940 -0.00451 0.00001 -0.00002 0.08105 -0.03192 0.08716 -0.00008 0.21289 0.02615 0.01734 -0.00002 0.03313 -0.02550 -0.01335 -0.00960 0.01715 0.14926 1.92930 -0.00317 0.00113 -0.00084 -0.00005 -0.00016 -0.00012 -0.00062 0.01896 0.05958 0.11585 -0.04249 0.35531 -0.22755 0.09670 0.00000 -0.00061 0.00716 -0.00001 0.00303 -0.03225 -0.00001 0.00000 0.03726 0.00007 0.09781 -0.09607 0.33211 0.10358 -0.04011 0.00004 -0.00001 0.05164 0.05087 -0.15493 -0.00008 -0.19962 -0.02601 0.00702 -0.19019 -0.07521 -0.01101 -0.00022 0.00022 -0.88489 0.22097 -0.89670 0.00073 -1.96258 -0.32596 0.20343 0.00015 -0.37830 0.01158 0.29354 -0.10217 0.01433 -0.01076 -0.50208 0.01787 0.00483 0.00416 0.00261 0.00035 0.00072 0.00230 -0.01719 0.03274 0.05538 -0.00844 0.31734 -0.20415 0.07077 0.00002 0.02844 0.01639 -0.00002 -0.01678 0.01543 -0.00001 0.00000 0.07294 0.00001 0.09477 -0.00072 2.60448 0.97884 -0.14091 0.00037 0.00018 -0.09381 -0.44663 0.23184 -0.00028 -0.87268 0.29885 0.97051 1.04111 -0.09102 -0.20485 0.00065 -0.00082 2.41338 -0.94938 3.08808 -0.00201 5.23188 -0.32251 0.06332 -0.00070 -0.40896 1.65016 -1.72821 0.83350 -1.57016 -0.05462 0.74030 -0.10222 -0.14340 -0.11485 0.00043 0.00003 0.00002 0.00025 0.00097 0.04743 0.08203 -0.02573 0.03161 0.13924 -0.14707 -0.00010 -0.21326 0.36458 0.00000 -0.01634 0.00111 -0.00003 0.00002 0.01022 0.00015 0.24228 -0.28991 -0.04066 -0.38877 0.23134 -0.00014 0.00003 0.41313 0.15753 -0.37269 -0.00007 -0.55027 0.48188 0.13759 -0.01871 -0.06036 -0.08277 -0.00008 0.00003 0.08857 -0.07781 0.04662 -0.00005 0.18149 -0.22160 0.23282 -0.00018 -0.47623 0.02775 -0.14078 0.18996 -0.31326 -0.01253 -0.00298 -0.01282 -0.02785 -0.01406 0.00018 -0.00001 0.00002 0.00000 0.00037 0.01819 0.03639 -0.01764 0.04731 0.06712 -0.27337 0.00001 0.06864 -0.23023 -0.00007 0.22980 -0.31321 -0.00002 0.00002 0.01481 0.00010 0.15871 -0.16095 -0.10490 0.15577 -0.47887 0.00002 0.00007 -0.44493 0.33152 -0.63037 -0.00001 -0.10511 0.06284 0.12460 -0.06117 0.05029 -0.02221 -0.00004 0.00003 -0.04369 -0.10586 0.05972 -0.00006 0.14631 -0.14673 0.29619 -0.00010 0.23828 0.40022 -0.11536 0.06330 -0.18091 -0.00014 0.00512 -0.00510 -0.01205 -0.00898 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00001 0.00002 -0.00002 0.29115 -0.00004 0.00001 0.42749 0.00005 -0.00003 0.10966 -0.18494 -0.00001 -0.03568 0.00011 -0.00012 -0.00007 0.00001 0.00007 0.54326 -0.67304 -0.00004 -0.00010 -0.00006 0.51541 -0.00023 -0.00003 0.00007 -0.00001 0.00000 0.00009 -0.12233 -0.11977 0.00001 -0.00002 0.00003 0.12166 0.00011 0.00004 0.00009 0.48215 -0.00011 0.00011 -0.00001 0.00002 -0.00006 0.00000 0.00000 0.00000 0.00000 0.00000 0.00021 0.00056 -0.00014 0.00224 -0.00125 -0.00236 -0.00447 0.01156 -0.00125 0.03216 -0.01348 -0.00002 -0.01386 0.08999 -0.00001 -0.00962 0.00794 0.00001 0.00000 -0.02142 0.00023 0.48726 -0.84476 0.55355 -0.57555 0.80433 -0.00051 -0.00032 -1.01953 0.38806 0.08866 0.00037 1.36420 -0.23310 -1.32642 -0.48651 -0.10600 -0.34520 -0.00055 0.00028 0.27311 0.02590 -0.03522 -0.00013 0.10322 0.06532 -0.71550 0.00025 0.75802 1.12618 -0.50268 0.45290 0.11783 -0.09059 0.04284 -0.04565 -0.01063 0.02385 -0.00007 -0.00016 0.00000 -0.00096 0.00097 -0.00087 -0.01088 0.00542 0.00174 0.00109 -0.06987 0.00001 0.00868 -0.08652 -0.00002 0.02449 -0.03565 -0.00001 -0.00001 0.03118 0.00012 0.27581 -0.57619 -0.30020 -0.28541 -1.39816 -0.00017 -0.00016 0.34344 -0.09311 1.72407 -0.00023 -0.78619 0.01178 0.27011 0.16649 -0.04184 0.36719 0.00040 -0.00001 -0.71010 0.07132 0.91859 -0.00038 -0.17552 -0.28159 -0.28925 0.00008 -1.47428 -0.13301 0.04614 -0.12126 -0.01328 0.03604 -0.04331 0.01640 -0.00302 -0.01160 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.06792 -0.00001 0.00000 0.10737 0.00001 0.00000 0.02070 -0.02936 0.00000 -0.13156 0.00020 -0.00029 -0.00013 -0.00019 0.00016 1.83041 1.32424 0.00007 0.00010 0.00016 -0.90795 0.00037 0.00021 -0.00020 -0.00005 -0.00007 -0.00006 0.14416 -0.68613 -0.00018 0.00009 0.00006 0.59799 0.00015 0.00001 -0.00015 -1.30379 0.00006 0.00010 -0.00006 0.00009 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00001 0.00001 0.00000 0.00000 0.60035 0.00001 -0.08540 0.00399 -0.02688 0.05117 0.04571 -0.01680 0.00000 0.04966 0.02965 0.00001 -0.00954 0.01113 0.00000 0.00000 -0.00055 -0.00004 -0.03535 0.01600 0.02384 -0.07420 -0.01054 0.00001 -0.00001 -0.03597 0.01454 0.00842 0.00002 0.04819 0.04528 0.06090 0.10752 0.03829 0.02511 0.00003 -0.00001 -0.04041 0.01950 -0.00441 -0.00001 -0.00252 0.00492 0.02479 0.00000 0.00459 -0.00200 0.02244 -0.01706 0.00540 -1.75567 0.13766 0.00152 -0.00326 0.00636 0.00001 0.00001 0.00012 0.43426 0.00004 -0.10692 0.00489 -0.03354 0.06554 0.05873 -0.02153 0.00000 0.06443 0.03866 0.00001 -0.01307 0.01434 0.00000 0.00000 -0.00066 -0.00005 -0.04690 0.02107 0.02916 -0.09981 -0.01325 0.00001 -0.00001 -0.04833 0.01980 0.01378 0.00003 0.06913 0.06990 0.09291 0.16666 0.07113 0.03666 0.00005 -0.00001 -0.06909 0.02689 -0.00147 -0.00002 -0.00615 0.00330 0.03741 0.00000 0.00544 -0.00011 0.04664 -0.02645 0.01326 1.92230 -0.15233 -0.00231 0.00564 -0.01081 0.00015 0.00016 -0.00010 0.01733 -0.00051 0.31073 -0.01331 0.10454 -0.21323 -0.19509 0.07158 0.00001 -0.22718 -0.13610 -0.00003 0.05412 -0.04843 0.00000 -0.00001 0.00154 0.00013 0.12799 -0.05100 0.01424 0.27892 -0.02041 -0.00001 0.00003 0.16992 -0.06856 -0.14067 -0.00014 -0.40398 -0.51979 -0.72086 -1.24615 -0.82237 -0.28051 -0.00037 0.00016 0.66593 -0.13904 -0.06082 0.00022 0.13702 0.07436 -0.39260 -0.00003 -0.00550 0.05877 -0.38422 0.12711 -0.10848 -0.42232 0.05571 -0.01707 -0.00688 -0.00128 0.00231 0.00215 0.00361 -0.00578 0.00302 0.02543 -0.00630 -0.00010 -0.10330 -0.09141 0.04397 -0.00002 -0.02505 -0.05522 -0.00001 0.04062 0.00369 -0.00001 0.00002 -0.00639 0.00060 0.48603 -0.25235 -1.46731 2.10521 0.91446 -0.00015 0.00014 0.50569 -0.12823 0.27271 -0.00011 0.56887 1.00522 2.23399 1.49778 -0.34422 0.75555 0.00089 -0.00002 -0.57546 1.52566 -1.78365 0.00013 -0.47782 0.01005 1.44829 0.00017 0.02918 -2.01110 -2.13113 0.03345 -0.72098 0.18426 -0.13285 -0.26798 -0.02590 -0.20764 -0.00034 0.00026 0.00000 -0.00002 -0.00032 0.00594 -0.20842 -0.01315 0.09461 -0.20045 -0.36322 0.00003 -0.08016 0.01668 0.00000 -0.17656 0.11444 -0.00001 0.00000 0.01514 0.00006 -0.01695 0.08576 0.01655 -0.00854 0.16527 0.00006 -0.00014 0.19811 0.89216 0.21030 -0.00018 -0.12094 -0.73394 0.36877 0.02126 0.00076 0.13398 0.00015 -0.00004 -0.19321 -0.07144 0.15337 -0.00006 0.06835 -0.05993 0.02498 0.00000 0.06945 0.05415 -0.21683 -0.05091 0.49431 0.00499 0.01267 -0.01641 0.03339 0.01980 0.00007 0.00012 0.00007 -0.00021 -0.00003 -0.00961 0.02375 -0.31167 -0.18808 -0.16447 0.02391 -0.00001 0.23569 0.10740 0.00003 -0.17004 -0.20089 -0.00002 -0.00001 -0.00156 0.00011 0.18152 -0.04229 -0.00089 0.13666 -0.07608 0.00001 0.00002 0.24906 0.06585 -0.23908 0.00001 -0.22328 -0.27694 -0.81942 0.90360 -0.05321 0.29900 0.00030 0.00006 0.06437 0.19393 -0.22457 -0.00001 0.06834 0.14239 0.06110 0.00001 0.03325 -0.12155 0.20527 0.45629 0.10813 0.01469 -0.00040 -0.00805 -0.01544 0.02142 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00002 -0.00001 -0.00001 0.00002 0.00003 0.39248 -0.00002 0.00008 -0.31800 -0.00002 -0.00001 -0.12045 -0.02560 0.00000 0.77732 -0.00043 0.00006 0.00003 -0.00019 -0.00008 0.15061 -0.39256 -0.00005 -0.00017 -0.00011 -0.61469 0.00015 0.00006 -0.00005 0.00004 0.00002 0.00001 0.01011 -0.07074 0.00000 0.00001 0.00002 0.08274 0.00005 0.00004 -0.00001 0.01777 0.00001 0.00003 0.00010 -0.00002 -0.00002 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00213 0.00251 -0.00013 0.00180 -0.00301 0.00795 0.02442 0.00216 0.01798 0.00249 -0.04980 0.00001 0.00465 0.00271 -0.00002 -0.05561 0.02043 0.00004 -0.00003 0.15980 0.00009 0.14680 -0.16228 0.61737 0.28998 0.44960 0.00014 -0.00031 -0.88669 1.27340 0.72871 0.00013 0.59591 2.02742 -1.75100 -0.41435 -0.27273 0.19212 -0.00023 0.00009 0.56502 1.05422 1.49554 -0.00069 0.40188 -0.43829 -0.98899 -0.00007 -0.36642 0.64786 -1.25127 0.42069 1.94661 -0.06668 0.12954 -0.13183 0.16080 0.13368 0.00037 0.00087 -0.00200 0.00017 -0.00053 -0.00615 0.00771 0.00126 -0.02074 -0.00475 0.01156 0.00000 -0.00894 -0.03051 -0.00001 0.09879 0.11895 0.00003 0.00002 0.00273 -0.00001 -0.11763 -0.07861 0.10269 0.31156 -0.13956 0.00011 -0.00018 1.27829 0.45142 -0.77437 0.00051 1.89085 0.44957 -0.07926 -0.75016 0.47338 -0.11651 -0.00024 0.00010 -0.04464 0.93856 -0.75621 -0.00034 0.33128 1.21626 -0.05154 -0.00007 0.52822 -0.05650 0.66940 1.70644 0.47923 -0.00370 0.01347 -0.04935 -0.10987 0.17877 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.08715 -0.00002 0.00002 -0.07216 0.00000 0.00000 -0.02847 -0.01487 -0.00002 0.38733 -0.00025 0.00005 0.00011 -0.00018 -0.00006 -0.13184 0.71062 -0.00004 0.00010 0.00013 1.33188 -0.00027 -0.00026 0.00002 -0.00006 0.00011 0.00011 -0.29035 0.37959 -0.00013 0.00021 0.00045 1.39542 0.00046 0.00026 -0.00018 0.07152 -0.00002 0.00011 0.00036 -0.00004 -0.00004 -0.00001 0.00000 0.00004 -0.00001 0.00001 -0.00008 -0.00006 0.00001 -0.00028 -0.00058 0.00767 0.01487 -0.00577 0.08882 -0.09362 0.10593 -0.10256 -0.00465 0.05012 -0.17198 -0.06830 0.09919 -0.05773 0.12306 -0.00779 -0.03907 0.00894 -0.02795 -0.03955 -0.01797 -0.07647 0.13025 0.05378 -0.01059 0.02186 0.04687 -0.01234 0.01031 0.01773 -0.14003 -0.12844 -0.04012 -0.05076 -0.08048 -0.07393 -0.09451 -0.03653 -0.05273 -0.05627 0.15316 -0.18542 0.87902 1.05438 0.38900 -0.16166 0.13418 -0.15986 0.07520 0.01551 0.02901 0.00653 0.00678 -0.00009 -0.00074 0.00017 -0.00033 -0.00024 0.00409 -0.00124 -0.00115 0.00410 -0.00032 -0.02219 0.04179 -0.05494 0.00352 0.01290 -0.10330 -0.05971 0.10329 -0.04434 0.13905 -0.01734 -0.15815 0.14453 -0.33822 -1.21356 -0.44156 -0.79998 1.72570 0.35038 -0.18429 0.45111 0.43774 -0.06949 0.13039 0.16286 -0.38887 -0.27007 0.02953 0.15059 0.05671 -0.31340 -0.76157 0.30790 -0.27553 0.45466 -1.37661 0.04552 -0.95899 -1.85021 -0.97753 -0.18901 0.24074 0.00396 0.51782 -0.00131 -0.18331 0.01296 0.03761 0.04567 -0.00009 -0.00005 -0.00001 -0.00017 -0.00047 0.00657 0.01476 -0.00692 0.09794 -0.09676 0.01734 0.00003 0.09689 -0.21088 -0.00003 0.09186 -0.14807 0.00000 0.00000 0.02255 -0.00002 -0.00838 -0.01192 0.00267 -0.08990 0.14952 -0.00001 -0.00001 -0.06188 0.03334 -0.05989 0.00001 0.10192 -0.08599 -0.04750 -0.08578 0.07348 -0.00168 -0.00007 0.00004 -0.16573 -0.15356 -0.12503 -0.00007 0.33588 -0.01117 0.16436 -0.00014 -1.10866 -0.89087 0.19730 -0.12188 0.09931 0.01015 0.02458 0.00687 0.00565 0.00187 -0.00053 0.00034 -0.00025 0.00119 0.00267 -0.00051 0.00123 0.00376 0.00373 -0.01519 0.02577 0.00002 0.07487 -0.11954 -0.00002 0.07939 -0.14342 0.00002 0.00001 -0.01736 0.00001 0.06027 -0.18374 -0.49106 -1.06126 1.88890 -0.00042 -0.00018 -0.18689 0.31293 -0.66619 0.00038 1.15542 0.01537 -1.24150 -0.62138 -0.10512 -0.36767 -0.00071 0.00036 -0.09984 0.29173 -1.06878 0.00064 -1.35537 0.16316 -0.20813 0.00033 2.25218 1.24028 -0.07239 0.17174 0.41060 -0.05671 -0.12717 -0.01273 0.03177 0.04669 -0.00008 -0.00006 0.00001 -0.00028 -0.00058 0.00767 0.01487 -0.00577 0.08883 -0.09363 0.10595 0.10254 -0.00466 0.05011 0.17198 -0.06828 0.09920 0.05773 -0.12305 -0.00782 0.03907 0.00888 -0.02791 -0.03953 -0.01795 -0.07651 -0.13023 -0.05380 -0.01060 0.02186 0.04688 0.01235 0.01032 0.01774 -0.14003 -0.12843 -0.04012 -0.05087 0.08018 0.07408 -0.09456 -0.03649 -0.05273 0.05632 0.15307 -0.18558 0.87883 -1.05439 0.38931 -0.16181 0.13423 -0.15988 0.07516 0.01551 0.02902 0.00654 0.00678 -0.00009 -0.00074 0.00017 -0.00033 -0.00024 0.00409 -0.00124 -0.00116 0.00410 -0.00032 -0.02219 0.04179 0.05493 0.00351 0.01289 0.10329 -0.05969 0.10330 0.04435 -0.13904 -0.01738 0.15829 0.14427 -0.33799 -1.21330 -0.44152 -0.80048 -1.72583 -0.35057 -0.18443 0.45132 0.43767 0.06964 0.13030 0.16275 -0.38885 -0.27008 0.02960 0.15065 -0.05685 0.31377 -0.76143 0.30775 -0.27555 -0.45408 -1.37675 0.04561 -0.95872 1.85043 -0.97803 -0.18888 0.24065 0.00394 0.51793 -0.00130 -0.18333 0.01296 0.03761 0.04567 -0.00010 0.00028 -0.00001 0.00025 -0.00021 0.06093 -0.09659 -0.06221 0.09726 0.19697 0.09487 0.00000 -0.01996 -0.09938 -0.00001 -0.12398 -0.03113 0.00000 -0.00001 -0.02945 0.00009 0.17439 0.10060 0.02896 -0.05638 -0.06393 0.00001 0.00001 0.05407 -0.08177 -0.09428 0.00003 0.00019 -0.08719 -0.02516 0.05618 0.08651 -0.36616 -0.00023 -0.00023 -0.25453 0.40331 0.03193 -0.00008 0.20967 -0.99679 -0.46447 0.00018 0.31195 -0.47488 -0.42298 0.20406 0.38847 -0.01153 0.00999 -0.02235 0.01150 0.00988 0.00051 0.00030 -0.00006 0.00012 0.00074 -0.00221 -0.01604 0.01059 0.03540 0.09418 0.06115 0.00001 0.00778 -0.07012 0.00000 -0.08991 -0.01242 -0.00001 -0.00001 -0.01811 0.00038 1.03513 1.07112 -0.05833 -0.66043 -0.36223 -0.00003 0.00015 0.09152 -0.54387 -0.20399 0.00005 -0.32202 -0.74989 0.53406 -0.05779 -0.13093 -0.10337 -0.00005 0.00005 -0.09677 -1.46003 0.40891 0.00045 -0.91128 1.21038 0.51167 -0.00001 0.32430 -0.82739 0.36156 -0.09992 -0.46911 -0.00652 -0.03421 -0.01019 -0.03517 -0.01446 1 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 2 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 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 H 1S 2S 7 H 1S 2S 8 H 1S 2S 9 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 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|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 H 1S|2S|7 H 1S|2S|8 H 1S|2S|9 H 1S|2S 1.13229 0.85941 0.95099 0.85263 0.97394 1.19842 1.28683 0.11150 0.37942 0.46600 1.13226 0.85950 0.95230 0.85804 0.98887 1.20466 1.28904 0.17884 0.40806 0.51306 1.13248 0.85923 0.97374 0.83469 1.29423 1.05062 1.06003 0.44574 0.21361 0.39489 1.17428 0.81439 0.75164 0.65787 0.75416 0.92267 0.98947 0.09027 0.16309 0.19680 1.17445 0.81446 0.80864 0.10564 0.82656 0.85996 0.79962 0.07417 0.12365 0.15558 0.51424 0.24447 0.51530 0.24183 0.51425 0.24444 0.47638 0.13635 -0.5603 -0.1604 -0.0005 0.5828 -17.9539 -36.6868 -28.2380 0.0256 -0.0009 -0.0001 9.6723 -9.0606 -0.6118 0.0256 -0.0009 -0.0001 16.3479 4.0678 0.0010 -2.8006 -0.2261 -0.0027 1.6519 -0.9420 0.0005 0.0002 -233.9237 -133.5989 -29.9428 -7.6588 -0.0112 -1.7969 0.0002 -0.0001 0.0007 -76.5967 -57.2179 -25.4230 -0.0014 -0.0004 0.7367 0 0 0 0 0 0 0 0 0 72.0196 AuxInfo=1/0/N:4,5,2,3,1/CRV:2.3,4.1/rA:9OOO1CC3HHHH/rB:;;s1;s1s2s3;s4;s4;s4;s2;/rC:;;;;;;;;; 0.000000 2.232274 0.000000 2.349348 2.347463 0.000000 1.482878 3.600806 2.762925 0.000000 1.374544 1.389103 1.251618 2.404430 0.000000 2.132717 3.962080 2.750712 1.102737 2.700492 0.000000 2.053692 4.285269 3.825280 1.098097 3.282095 1.815543 0.000000 2.132709 3.962297 2.750904 1.102737 2.700480 1.800226 1.815544 0.000000 3.092060 0.992136 2.427205 4.334971 1.944238 4.574887 5.131383 4.575217 0.000000 10.3642519 4.1663268 3.0299151 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= 58 58 58 58 58 MxSgAt= 9 MxSgA2= 9. 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 9 9 9 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 9 9 9 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 9 9 9 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 9 9 9 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 9 9 9 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= 741 NPrTT= 3858 LenC2= 733 LenP2D= 2962. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 58 RedAO= T EigKep= 1.21D-02 NBF= 58 NBsUse= 58 1.00D-06 EigRej= -1.00D+00 NBFU= 58 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= 58 58 58 58 58 MxSgAt= 9 MxSgA2= 9. 1 Closed 1 0 1 -303.771869422533 -303.723923269031 0.047946153502 -303.875024953543 -0.151101684511 -303.883844192351 -0.008819238808 -303.922620826518 -0.038776634167 -303.929395843284 -0.006775016766 -303.929661321746 -0.000265478463 -303.929668688253 -0.000007366507 -303.929669072740 -0.000000384487 -303.929671364687 -0.000002291947 -303.929671319973 0.000000044714 -303.929671384954 -0.000000064981 -303.929671386387 -0.000000001433 -303.929671387143 -0.000000000756 -303.929671387149 -0.000000000007 -303.929671387153 -0.000000000004 -303.929671387 16 3.030089409924e+02 -1.079061972969e+03 2.901274275628e+02 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=2371664. IVT= 29356 IEndB= 29356 NGot= 939524096 MDV= 938030125 LenX= 938030125 LenY= 938026320 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= 1711 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -2.20439995e-01 -6.31192469e-02 -1.94807253e-04 1 2 3 4 5 6 7 8 9 8 8 8 6 6 1 1 1 1 0.010153835 0.023847431 0.000016572 0.011473472 0.028539247 0.000007033 -0.003184671 -0.047357667 0.000008682 -0.019577176 -0.009228533 -0.000018130 -0.000782675 0.017694712 -0.000028479 -0.001134589 -0.006792685 -0.003180356 0.000524971 0.006833074 -0.000003232 -0.001125282 -0.006804275 0.003195483 0.003652116 -0.006731304 0.000002427 0.047357667 0.013435583 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -303.933955211553 -303.934109915075 -0.000154703522 -303.934093654898 0.000016260177 -303.934112749227 -0.000019094329 -303.934113304147 -0.000000554920 -303.934115056644 -0.000001752497 -303.934115045311 0.000000011333 -303.934115072962 -0.000000027650 -303.934115075326 -0.000000002364 -303.934115077394 -0.000000002068 -303.934115077545 -0.000000000151 -303.934115077548 -0.000000000003 -303.934115077547 0.000000000001 -303.934115078 13 3.026937120741e+02 -1.072212211275e+03 2.869445813530e+02 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=2371664. IVT= 29356 IEndB= 29356 NGot= 939524096 MDV= 938030125 LenX= 938030125 LenY= 938026320 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= 1711 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 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 -18.824406 -18.822627 -18.774204 -10.083556 -9.962637 -1.057777 -0.977632 -0.948630 -0.681665 -0.572382 -0.493957 -0.446913 -0.430240 -0.401378 -0.388621 -0.366673 -0.319989 -0.285951 -0.270689 -0.250231 -0.035419 0.006552 0.058280 0.089820 0.129091 0.164565 0.165663 0.214534 0.217869 0.224592 0.262809 0.291418 0.308525 0.375510 0.407591 0.515234 0.592619 0.617399 0.624993 0.681054 0.718183 0.761868 0.795778 0.809058 0.842533 0.892963 0.994256 1.032929 1.070402 1.146964 1.562216 1.596201 1.677743 22.289743 22.483000 41.433158 41.473083 41.495852 29.116270 29.116378 29.117704 15.960236 15.958689 2.455982 2.701302 2.853820 1.734321 1.954114 1.888815 1.428800 2.436642 1.604070 1.374024 2.182164 2.217148 2.400336 2.319692 2.526347 2.583445 1.928413 1.811353 1.606095 2.340427 1.130874 1.247397 1.097466 3.090842 1.517514 1.718141 1.248344 1.608068 1.956468 2.527366 3.490981 2.343390 2.414275 2.710702 2.736436 2.450123 3.039926 2.602186 2.669732 3.033532 2.825945 2.604285 2.507122 2.674449 2.817275 4.829373 5.124861 5.219585 57.395393 57.391842 105.854806 105.846878 105.847519 3.026937120741D+02 PT126.200S 2017-06-13T09:10:08.000+02:00 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 O O O C C H H H H -0.211433 -0.384628 -0.259269 -0.514654 0.257252 0.241287 0.242868 0.241304 0.387273 0.00000 -1.05778 -0.97763 -0.94863 -0.68166 -0.57238 -0.49396 -0.44691 -0.43024 -0.40138 -0.38862 -0.36667 -0.31999 -0.28595 -0.27069 -0.25023 -0.03542 0.00655 0.05828 0.08982 0.12909 0.16457 0.16566 0.21453 0.21787 0.22459 0.26281 0.29142 0.30853 0.37551 0.40759 0.51523 0.59262 0.61740 0.62499 0.68105 0.71818 0.76187 0.79578 0.80906 0.84253 0.89296 0.99426 1.03293 1.07040 1.14696 1.56222 1.59620 1.67774 22.28974 22.48300 41.43316 41.47308 41.49585 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 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 -18.82441 -18.82263 -18.77420 -10.08356 -9.96264 -1.05778 -0.97763 -0.94863 -0.68166 -0.57238 -0.49396 -0.44691 -0.43024 -0.40138 -0.38862 -0.36667 -0.31999 -0.28595 -0.27069 -0.25023 -0.03542 0.00655 0.05828 0.08982 0.12909 0.16457 0.16566 0.21453 0.21787 0.22459 0.26281 0.29142 0.30853 0.37551 0.40759 0.51523 0.59262 0.61740 0.62499 0.68105 0.71818 0.76187 0.79578 0.80906 0.84253 0.89296 0.99426 1.03293 1.07040 1.14696 1.56222 1.59620 1.67774 22.28974 22.48300 41.43316 41.47308 41.49585 0.58055 0.00056 0.00000 -0.00001 0.00000 -0.07098 0.09257 0.04996 0.00883 -0.03936 -0.03242 0.00000 0.01495 0.01294 0.00000 0.02187 -0.03625 -0.00001 0.00000 0.00398 0.00006 0.04937 -0.03235 -0.00712 0.01266 -0.00006 -0.01449 0.00004 -0.02533 0.02737 -0.02622 0.00001 -0.00485 0.00738 -0.00190 0.01358 0.00113 -0.01760 -0.00001 -0.00003 0.02031 -0.01093 -0.00671 0.00000 0.00322 0.00997 -0.01254 0.00001 -0.00421 0.02236 0.02962 -0.08476 0.11868 -0.00015 0.00031 -0.47943 -1.58976 -0.48792 0.45928 0.00045 0.00000 -0.00002 -0.00001 -0.09410 0.12321 0.06657 0.01192 -0.05291 -0.04329 0.00000 0.02034 0.01742 0.00000 0.02915 -0.04874 -0.00001 0.00000 0.00558 0.00009 0.06639 -0.04295 -0.00994 0.01660 -0.00008 -0.01921 0.00006 -0.03436 0.03677 -0.03705 0.00001 -0.00925 0.01163 -0.00100 0.01789 0.00245 -0.02492 -0.00002 -0.00004 0.02859 -0.01706 -0.00860 0.00000 0.00335 0.01493 -0.02149 0.00001 -0.00701 0.03600 0.05074 -0.14193 0.19940 0.00037 0.00001 0.52215 1.73355 0.53243 0.00885 -0.00006 0.00004 0.00039 0.00030 0.26752 -0.35774 -0.19476 -0.03775 0.15988 0.12639 -0.00001 -0.06646 -0.05268 0.00001 -0.08141 0.14800 0.00003 0.00001 -0.02406 -0.00025 -0.19363 0.11321 0.03518 -0.03445 0.00021 0.05026 -0.00018 0.10356 -0.10339 0.15399 -0.00004 0.09942 -0.07586 -0.04848 -0.03458 -0.02754 0.10072 0.00008 0.00017 -0.11024 0.10737 0.01192 -0.00005 0.03366 -0.07868 0.18675 -0.00010 0.05838 -0.26309 -0.46876 1.22982 -1.76492 -0.02492 -0.00842 -0.12700 -0.42729 -0.13620 -0.00717 0.00006 -0.00036 -0.00086 0.00018 0.23124 -0.28537 -0.14385 -0.02599 0.18258 0.17815 0.00003 -0.03424 -0.06717 -0.00002 -0.17860 0.18198 0.00005 -0.00004 0.05788 -0.00084 -0.62123 0.54916 0.10210 -0.29184 0.00108 0.25511 -0.00070 0.45358 -0.55112 0.05300 -0.00016 -0.56783 0.21425 0.69964 -0.49675 -0.06374 0.08472 -0.00020 0.00008 -0.11303 -0.13894 0.37029 0.00064 -0.69222 -0.26138 -0.43967 0.00010 -0.25024 0.30081 0.92549 -2.17258 3.18780 0.04791 -0.02675 0.15708 0.48195 0.16703 0.00013 -0.00003 -0.00005 -0.00036 0.00022 0.04435 0.00171 -0.01105 -0.31458 -0.09783 -0.35385 -0.00010 -0.15120 -0.23668 0.00001 -0.12416 0.03452 0.00007 -0.00012 0.08265 -0.00009 0.06027 -0.27456 0.24873 -0.25685 0.00018 0.00360 -0.00061 0.32387 -0.17020 -0.07953 -0.00017 -0.15658 0.14682 -0.35317 -0.07556 0.00965 0.14976 0.00023 -0.00009 0.42991 0.20525 -0.18212 0.00004 -0.07505 0.13066 -0.13895 -0.00012 0.32977 -0.54947 0.13199 -0.01513 0.02208 0.01740 -0.01035 0.00351 -0.00228 0.00257 -0.00160 0.00003 -0.00001 0.00014 -0.00001 -0.09339 0.11688 0.03887 0.00205 -0.01736 0.19577 -0.00001 -0.17670 -0.20729 0.00000 -0.10128 0.46743 0.00008 0.00005 -0.28047 0.00034 0.22458 -0.19119 -0.00240 0.09220 0.00012 0.05369 0.00049 -0.25188 0.04139 -0.20706 -0.00006 -0.27995 0.05126 0.11634 -0.22817 0.13455 0.43956 0.00054 0.00049 -0.49889 0.11146 0.08853 -0.00039 0.15923 0.25701 -0.18774 -0.00002 0.15737 -0.09240 0.02409 0.01821 0.05859 -0.00727 0.00218 0.00069 0.00577 0.00523 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00005 0.00000 -0.00008 0.34695 -0.00012 -0.00003 0.04177 -0.00005 -0.00003 -0.22077 0.57738 -0.00002 -0.30077 0.00037 -0.00005 -0.00006 0.00005 -0.19869 0.00074 -0.07205 -0.00004 -0.00008 0.00003 -0.06670 -0.00001 0.00013 0.00001 0.00000 -0.00001 0.00024 -0.05898 -0.65161 -0.00066 0.00038 -0.00033 0.60665 0.00041 0.00022 -0.00001 0.04315 0.00008 0.00000 0.00011 0.00003 -0.00003 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00024 -0.00008 0.00004 0.00022 -0.00102 0.01534 0.00754 0.02693 -0.03577 -0.02155 -0.06712 -0.00001 -0.03971 -0.06641 -0.00002 -0.05048 0.00908 0.00002 -0.00008 0.07557 -0.00012 0.12712 -0.34430 0.56728 -0.34088 -0.00004 -0.08211 -0.00039 0.26052 -0.34044 0.46605 -0.00027 -0.46350 -0.16568 0.08481 -0.05889 -0.01102 -0.19515 -0.00020 -0.00030 -0.72390 -0.83537 1.18870 -0.00016 0.75165 -0.68383 0.13371 0.00030 -1.13086 2.35811 -0.56834 -0.15492 -0.05661 -0.00882 0.06132 0.00502 0.02307 -0.01296 0.00209 -0.00019 0.00049 0.00094 0.00073 -0.02508 0.01759 0.00315 -0.00650 0.00426 0.05693 -0.00002 -0.10322 -0.07260 0.00001 -0.04398 0.20029 0.00002 0.00001 -0.14684 0.00028 0.19037 -0.11718 -0.03487 0.12987 0.00043 0.15490 0.00069 -0.33042 -0.07276 -0.22710 -0.00002 -0.02752 -0.08508 -0.16026 0.50697 -0.25323 -0.64175 -0.00069 -0.00097 1.13324 -0.27049 -0.35288 0.00072 -0.07442 -0.60981 0.52602 0.00002 -0.35502 0.20713 -0.41152 0.10312 -0.92386 -0.04383 -0.01503 -0.02545 -0.07499 -0.07707 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.11948 -0.00004 -0.00001 0.02295 -0.00004 -0.00002 -0.10909 0.31206 0.00001 -0.19146 0.00026 -0.00005 0.00002 -0.00001 -0.24597 0.00089 -0.33081 -0.00058 -0.00015 0.00004 -0.04798 -0.00003 -0.00004 -0.00001 0.00000 -0.00002 -0.00040 0.11576 0.99891 0.00113 -0.00087 0.00074 -1.33551 -0.00088 -0.00053 0.00003 -0.10345 -0.00022 0.00007 -0.00048 -0.00010 0.00009 0.00000 0.00001 -0.00002 0.00002 -0.00002 -0.00056 0.58055 0.00002 -0.00001 0.00000 -0.07350 -0.09277 0.05232 -0.01791 -0.01364 0.00402 0.00000 0.02780 -0.02453 0.00001 -0.04634 -0.01049 0.00000 0.00000 -0.00314 0.00006 0.04788 0.02481 -0.00504 0.02589 0.00001 0.00581 -0.00006 0.03337 0.01725 -0.00316 0.00001 0.01729 -0.00386 0.00885 0.00256 -0.00632 0.00115 -0.00001 -0.00001 -0.00907 0.01840 0.01533 -0.00004 0.01545 -0.04285 -0.03283 -0.00001 0.00182 0.00621 0.09504 -0.07193 -0.07753 0.00048 -0.00155 -1.59260 0.29287 0.61072 -0.00043 0.45929 0.00002 -0.00003 0.00002 -0.09755 -0.12352 0.06977 -0.02402 -0.01822 0.00510 0.00001 0.03750 -0.03303 0.00001 -0.06220 -0.01424 0.00000 -0.00001 -0.00442 0.00008 0.06413 0.03302 -0.00693 0.03455 0.00002 0.00786 -0.00008 0.04558 0.02381 -0.00429 0.00001 0.02145 -0.00755 0.01213 0.00263 -0.00720 0.00070 -0.00001 -0.00002 -0.01290 0.02762 0.02287 -0.00006 0.02390 -0.06545 -0.05083 -0.00002 0.00158 0.01324 0.16092 -0.12057 -0.13045 0.00021 0.00026 1.73439 -0.31933 -0.66639 -0.00008 0.00871 -0.00006 0.00050 -0.00022 0.27848 0.35861 -0.20489 0.07160 0.05368 -0.01071 -0.00003 -0.11664 0.09914 -0.00004 0.18571 0.04753 0.00000 0.00002 0.02000 -0.00023 -0.17610 -0.08372 0.02232 -0.09296 -0.00004 -0.02300 0.00026 -0.14899 -0.08338 0.01237 0.00000 -0.01369 0.09068 -0.04445 0.01470 -0.01291 0.02134 0.00007 0.00010 0.05346 -0.14822 -0.11973 0.00033 -0.15396 0.39482 0.32170 0.00010 0.02144 -0.17726 -1.42482 1.04818 1.15377 -0.02619 0.01386 -0.41387 0.07854 0.16509 0.00008 -0.00673 -0.00003 -0.00120 0.00074 0.23711 0.29226 -0.15298 0.07887 0.07015 -0.04379 0.00002 -0.10906 0.14473 -0.00006 0.26340 0.00433 -0.00006 0.00001 -0.06196 -0.00092 -0.73296 -0.50525 0.06572 -0.44402 -0.00038 -0.12544 0.00097 -0.46532 -0.14486 0.04066 -0.00029 -0.77675 -0.69923 -0.10032 -0.17636 0.19076 -0.21787 -0.00020 -0.00013 0.04351 -0.20314 -0.09608 0.00015 0.24746 -0.65393 -0.31108 -0.00007 -0.22123 0.70047 2.47918 -1.87906 -2.02952 0.05661 -0.03860 0.45774 -0.07979 -0.18155 0.00003 -0.00005 0.00004 0.00031 -0.00003 -0.03511 0.01372 0.00500 0.16883 0.43449 -0.26441 0.00008 0.03163 -0.19339 -0.00009 -0.08397 0.04808 0.00023 -0.00001 0.07710 0.00006 -0.06249 -0.31941 -0.15678 0.34663 0.00019 0.08698 -0.00045 0.24807 0.06132 -0.03879 -0.00008 -0.09630 -0.11670 0.16151 0.14497 0.09300 -0.38167 -0.00061 0.00003 -0.13412 -0.42851 0.31065 0.00043 -0.28689 0.36774 -0.01580 -0.00003 0.15358 -0.31410 0.08198 -0.04546 -0.09879 -0.01478 0.00214 0.00309 -0.00310 -0.00518 0.00003 -0.00165 -0.00001 0.00018 -0.00001 -0.10408 -0.12591 0.04713 -0.02799 0.01425 -0.06863 -0.00004 -0.24513 0.10748 -0.00010 0.44426 0.23719 0.00004 0.00006 0.28232 0.00035 0.23649 0.18539 -0.06171 0.12454 0.00021 0.07434 -0.00026 0.16366 -0.04180 0.09759 -0.00014 -0.21091 -0.23194 0.03759 -0.14391 0.53925 -0.35728 -0.00017 -0.00013 0.06795 0.47657 -0.07778 -0.00040 0.11694 0.14874 0.07818 0.00003 -0.05293 0.11972 0.00989 0.04502 -0.00925 -0.00889 0.00138 0.00466 -0.00382 -0.00020 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00005 -0.00014 0.00010 0.20541 -0.00004 0.00010 -0.28913 -0.00004 -0.00011 0.61654 0.00299 0.00001 -0.28971 0.00037 0.00007 -0.00009 0.00001 -0.01789 0.00005 -0.03830 -0.00027 0.00002 -0.00002 -0.16905 0.00006 -0.00004 -0.00021 0.00017 0.00013 0.00076 -0.73023 0.38221 0.00025 0.00053 0.00034 0.30927 0.00035 -0.00005 -0.00014 0.01561 -0.00007 0.00013 0.00000 0.00005 0.00011 0.00000 0.00000 0.00000 0.00000 0.00001 0.00006 0.00059 0.00005 0.00021 0.00002 -0.00908 0.00535 -0.02386 0.02933 0.09731 -0.06626 0.00001 0.00908 -0.05068 -0.00004 -0.00310 0.02859 0.00014 0.00002 0.06082 0.00004 -0.15114 -0.42544 -0.25078 0.62109 0.00037 0.14583 -0.00082 0.41928 0.17605 0.04433 0.00010 0.46849 0.24708 0.00021 0.09750 -0.28857 0.98451 0.00136 0.00020 0.30389 1.13537 -0.82132 -0.00141 0.84542 -0.35630 0.34518 0.00019 -0.57320 1.19424 -0.48187 0.43835 0.33557 -0.00719 0.00554 -0.05665 0.00559 0.02693 -0.00017 0.00186 0.00040 0.00079 -0.00011 -0.02645 -0.01853 0.00497 -0.00494 -0.00095 -0.00903 -0.00003 -0.12417 0.04895 -0.00004 0.17200 0.10708 0.00002 0.00001 0.14272 0.00038 0.30213 0.24189 -0.07798 0.13245 0.00030 0.09770 -0.00026 0.15582 -0.11034 0.08260 -0.00007 -0.04171 0.08603 -0.01640 0.34477 -0.84437 0.55998 0.00035 0.00011 -0.12365 -0.75510 0.22815 0.00071 -0.27999 -0.66033 -0.26644 -0.00014 0.22667 -0.69837 -0.74083 -0.02108 0.46070 -0.03380 0.00840 -0.08077 0.04231 -0.00455 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00003 0.00003 0.07001 -0.00002 0.00004 -0.12383 -0.00003 -0.00007 0.33072 0.00882 -0.00001 -0.21189 0.00030 0.00013 -0.00006 -0.00009 0.02859 -0.00014 -0.09715 -0.00035 0.00001 -0.00004 -0.12940 -0.00012 -0.00005 0.00006 -0.00022 -0.00015 -0.00123 1.03964 -0.62405 -0.00045 -0.00119 -0.00062 -0.75947 -0.00088 -0.00006 0.00028 -0.00500 0.00022 -0.00047 -0.00004 -0.00022 -0.00039 0.00001 -0.00003 0.00001 -0.00001 -0.00004 0.00000 -0.00001 0.58056 -0.00005 0.00000 -0.05487 -0.00022 -0.11000 -0.01304 -0.01731 -0.01289 0.00001 0.06894 -0.01604 0.00000 0.01796 0.01508 0.00000 0.00000 -0.00007 0.00003 0.01624 0.00124 -0.02376 0.02267 0.00008 0.02523 0.00005 -0.01920 -0.03270 0.01418 -0.00002 -0.01951 0.00957 -0.03353 -0.01950 -0.01538 -0.01313 0.00000 -0.00001 0.00172 -0.01233 0.01151 0.00000 0.00275 -0.01667 -0.00287 0.00000 -0.00010 0.01306 0.10099 0.10168 0.04279 -0.00622 -0.00049 -0.47844 0.61810 -1.54403 -0.00001 -0.00001 0.45931 -0.00002 0.00001 -0.07275 -0.00033 -0.14652 -0.01748 -0.02318 -0.01733 0.00002 0.09227 -0.02133 0.00000 0.02391 0.02014 0.00000 0.00000 -0.00008 0.00004 0.02186 0.00146 -0.03176 0.03062 0.00010 0.03393 0.00006 -0.02542 -0.04301 0.01838 -0.00003 -0.02455 0.01314 -0.04569 -0.02901 -0.01865 -0.01796 -0.00001 -0.00001 0.00361 -0.01982 0.01799 -0.00001 0.00468 -0.02493 -0.00590 0.00000 0.00002 0.02214 0.16987 0.16968 0.07201 0.00190 0.00005 0.52024 -0.67293 1.68222 0.00008 -0.00003 0.00855 0.00003 -0.00005 0.20902 0.00179 0.43046 0.05265 0.06888 0.05264 -0.00006 -0.27136 0.06061 0.00000 -0.06953 -0.06134 -0.00001 -0.00001 -0.00009 -0.00012 -0.06345 0.00032 0.08160 -0.08585 -0.00030 -0.09705 -0.00016 0.06200 0.10154 -0.03389 0.00004 0.02691 -0.04169 0.14040 0.15514 -0.00228 0.05957 0.00002 0.00009 -0.04014 0.13857 -0.11710 0.00004 -0.03946 0.13058 0.07195 -0.00005 -0.00569 -0.19016 -1.47464 -1.44908 -0.63723 -0.00207 0.00442 -0.12035 0.15642 -0.40504 -0.00048 -0.00011 -0.00663 -0.00029 -0.00060 0.15507 -0.00648 0.28344 0.02701 0.05895 0.05631 -0.00005 -0.37550 0.08655 -0.00003 -0.08055 -0.05066 0.00002 0.00002 0.00106 -0.00045 -0.21685 -0.06030 0.50182 -0.38172 -0.00124 -0.41246 -0.00091 0.43050 0.74312 -0.46033 0.00074 0.79235 -0.23184 0.68388 -0.45253 0.48992 0.04157 -0.00020 -0.00010 0.11386 -0.06923 0.12185 -0.00007 0.23522 0.40941 -0.41521 0.00014 0.11600 0.51584 2.71980 2.63042 1.21488 0.03028 0.01482 0.13800 -0.16197 0.46755 -0.00006 0.00004 -0.00004 -0.00005 0.00006 -0.00284 0.01977 -0.00491 0.00788 -0.02607 0.13760 0.00003 0.02790 -0.05274 0.00003 -0.20426 0.09114 -0.00006 -0.00002 0.65643 -0.00005 -0.02529 -0.13213 -0.08044 -0.07498 0.00001 0.00419 0.00053 -0.28028 0.03396 -0.19190 0.00010 0.11796 -0.13301 -0.05924 -0.04016 -0.06166 0.18994 0.00040 -0.00049 0.13211 0.34150 0.65589 -0.00001 -0.25854 -0.04215 0.24793 -0.00004 -0.14534 -0.04884 0.00113 -0.03652 0.06498 0.00164 -0.00271 -0.00128 0.00492 0.00228 -0.00005 -0.00003 0.00173 -0.00044 -0.00007 0.11162 0.00055 0.18585 -0.00639 -0.02395 -0.02316 0.00002 0.38195 -0.14725 0.00007 0.23309 0.28869 0.00018 0.00021 0.01838 -0.00013 -0.06415 0.01663 0.16840 -0.24916 -0.00011 -0.06033 -0.00012 0.06112 -0.05938 -0.10568 0.00003 -0.01220 -0.06572 0.16276 0.54066 -0.48657 -0.24006 -0.00008 0.00022 -0.25760 0.41867 -0.04284 -0.00049 0.16659 0.32155 0.00719 0.00003 0.01757 -0.01885 0.09690 0.03316 0.03264 0.03440 -0.00053 0.00080 0.00292 -0.00276 0.00000 0.00000 0.00000 0.00000 0.00000 0.00003 0.00000 0.00006 0.00000 0.00000 -0.00002 0.20983 0.00008 -0.00005 -0.23283 0.00008 0.00018 -0.34773 -0.42983 -0.00005 -0.45229 0.00053 -0.00001 -0.00013 0.00013 0.01065 -0.00004 -0.07190 -0.00010 0.00005 -0.00006 -0.09395 0.00015 0.00004 0.00009 0.00013 0.00008 -0.00063 0.50019 0.47003 0.00012 0.00024 0.00022 0.54858 0.00035 -0.00010 -0.00004 -0.12016 -0.00006 0.00004 0.00006 -0.00005 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00060 -0.00052 0.00010 0.00004 0.00017 -0.00159 0.00148 0.00034 -0.00274 0.00047 0.03127 0.00001 0.00810 -0.03055 0.00003 -0.08245 0.03368 -0.00005 0.00000 0.29568 -0.00004 -0.02494 -0.03795 -0.06679 -0.09012 -0.00012 -0.01323 0.00061 -0.33510 0.13866 -0.15710 -0.00005 -0.06576 -0.29311 -0.29757 0.08337 0.08140 -0.28120 -0.00048 0.00080 -0.27894 -0.71332 -1.40213 0.00016 0.44209 0.12304 -0.32617 0.00006 0.48986 0.06578 0.18674 0.03410 -0.64316 -0.00334 -0.00787 0.02598 -0.05104 -0.03498 -0.00019 -0.00016 -0.00202 -0.00088 -0.00006 0.01761 -0.00095 -0.00785 -0.01562 -0.01993 -0.01063 0.00002 0.11750 -0.04269 0.00002 0.06285 0.08330 0.00007 0.00009 0.01011 -0.00018 -0.08159 -0.01003 0.29775 -0.31972 -0.00043 -0.16012 -0.00027 0.13609 0.18189 -0.13139 0.00018 0.03103 -0.32750 0.63852 0.10790 1.00384 0.57920 0.00037 -0.00040 0.45178 -0.79505 0.13648 0.00091 -0.24623 -0.55224 -0.10160 -0.00002 -0.03121 0.22303 0.66115 0.45331 0.26206 0.03662 -0.00268 0.04866 -0.02222 0.09067 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00000 0.05949 0.00002 -0.00002 -0.07854 0.00004 0.00008 -0.16493 -0.21692 -0.00002 -0.32811 0.00037 -0.00003 -0.00006 0.00010 -0.03112 0.00011 -0.11751 -0.00017 0.00011 -0.00010 -0.17039 0.00018 -0.00004 0.00019 0.00005 0.00001 0.00083 -0.58136 -0.70926 -0.00014 -0.00048 -0.00046 -1.19811 -0.00077 0.00024 0.00012 0.21218 0.00016 -0.00010 -0.00004 0.00038 0.00010 0.00002 -0.00001 -0.00002 -0.00002 0.00003 0.00001 0.00000 0.00000 -0.00002 0.60043 -0.01704 0.02964 0.01358 -0.10357 0.05955 0.02131 0.00000 0.00241 0.00152 0.00000 0.00016 0.00613 0.00000 0.00000 -0.00841 -0.00002 -0.02724 0.03000 -0.08576 -0.04045 0.00004 0.00967 0.00000 0.00079 -0.00350 0.01808 0.00002 0.02825 -0.00606 0.01186 0.00730 0.00996 -0.00241 0.00001 -0.00006 0.03364 -0.03177 0.05738 -0.00006 0.13218 0.01685 0.00846 -0.00001 0.02202 -0.01876 -0.00735 -0.00716 0.01030 -0.17555 -1.75255 0.00159 -0.00149 0.00014 -0.00001 0.00002 0.00002 0.00003 0.43411 -0.02123 0.03730 0.01712 -0.13104 0.07563 0.02700 0.00000 0.00307 0.00179 0.00000 0.00001 0.00811 0.00000 0.00000 -0.01095 -0.00003 -0.03620 0.03969 -0.11319 -0.05394 0.00006 0.01322 0.00000 0.00035 -0.00498 0.02527 0.00002 0.03874 -0.00525 0.01456 0.01303 0.01587 -0.00210 0.00002 -0.00010 0.06060 -0.04877 0.09595 -0.00010 0.21246 0.03181 -0.00074 -0.00002 0.03661 -0.02361 -0.01408 -0.00828 0.01591 0.19069 1.92529 -0.00306 0.00248 -0.00038 -0.00009 -0.00017 -0.00012 -0.00069 0.01878 0.05513 -0.10175 -0.04762 0.37158 -0.21804 -0.07588 -0.00001 -0.00363 -0.00177 0.00000 0.00345 -0.03370 -0.00002 0.00000 0.03611 0.00010 0.12146 -0.12617 0.30815 0.15015 -0.00020 -0.04602 -0.00008 0.03866 0.02588 -0.14296 -0.00012 -0.15439 -0.04340 0.00932 -0.18515 -0.12700 -0.01019 -0.00035 0.00104 -0.69160 0.39617 -1.00562 0.00097 -1.93772 -0.36332 0.35531 0.00016 -0.33332 -0.02922 0.31865 -0.11679 0.03503 -0.01782 -0.50179 0.01951 0.00666 0.00482 0.00242 0.00036 0.00072 0.00246 -0.01708 0.02969 -0.05430 -0.01412 0.33318 -0.19265 -0.05534 0.00000 -0.03133 0.00966 -0.00002 -0.01331 0.00400 -0.00001 -0.00003 0.07900 -0.00011 0.16771 -0.25971 2.31884 1.25852 -0.00100 -0.19902 0.00097 -0.46016 -0.07550 0.21747 -0.00034 -0.81937 0.26868 -0.69652 0.99104 0.08662 -0.26746 0.00079 -0.00315 1.85689 -1.40736 3.19282 -0.00217 5.00985 -0.06072 -0.11921 -0.00025 -0.30973 1.54193 -1.67493 0.73892 -1.37420 -0.04631 0.73530 -0.09774 -0.13473 -0.09995 0.00042 0.00002 0.00003 0.00021 0.00083 0.04235 -0.07058 -0.02816 0.02057 0.14042 0.10400 -0.00003 0.15738 0.39732 -0.00008 -0.00889 -0.02730 -0.00006 0.00003 0.01272 0.00033 0.32704 -0.31103 -0.02602 -0.32568 0.00094 0.26298 -0.00052 0.25406 0.39622 -0.38921 -0.00019 -0.52902 0.42002 -0.04342 -0.00218 -0.05599 -0.09628 -0.00015 -0.00005 0.05655 -0.08652 0.05654 -0.00002 0.18134 -0.20682 0.29448 0.00014 -0.42056 0.04266 -0.14237 0.17211 -0.27963 -0.01073 -0.00195 -0.01184 -0.02703 -0.01210 0.00019 -0.00002 0.00003 0.00001 0.00028 0.01666 -0.03183 -0.01906 0.03816 0.08580 0.27910 0.00002 -0.01367 -0.24558 -0.00002 0.23314 -0.29354 -0.00004 -0.00001 0.00984 0.00020 0.17400 -0.12176 -0.09950 0.03306 -0.00177 -0.50360 -0.00024 0.22670 -0.51573 -0.63272 -0.00009 -0.06307 0.03263 -0.09793 -0.05876 0.03552 -0.02876 -0.00008 0.00001 -0.05032 -0.11220 0.04346 -0.00005 0.13000 -0.13460 0.24585 -0.00008 0.29131 0.39951 -0.11278 0.05323 -0.17140 -0.00050 0.00526 -0.00492 -0.01232 -0.00874 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00003 0.00001 0.30162 -0.00006 0.00011 0.42601 0.00007 0.00000 0.11465 -0.16178 0.00000 -0.02702 0.00012 -0.00004 -0.00006 0.00022 0.56977 -0.00190 -0.67103 -0.00126 -0.00020 -0.00010 0.49363 -0.00033 -0.00011 -0.00011 0.00001 0.00001 0.00014 -0.12064 -0.10604 -0.00011 0.00002 -0.00011 0.09589 0.00011 0.00007 0.00002 -0.47035 -0.00019 0.00008 0.00003 0.00004 -0.00006 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00019 0.00052 -0.00011 0.00196 -0.00138 -0.00186 0.00122 0.01105 0.00046 0.03111 0.00953 0.00000 0.00351 0.09310 -0.00004 -0.00505 -0.00028 0.00001 0.00000 -0.02011 0.00048 0.57524 -0.74232 0.38867 -0.35621 0.00267 0.79250 0.00015 -0.02326 -1.01277 0.29741 0.00069 1.42034 -0.30143 1.05745 -0.53464 -0.06068 -0.25921 -0.00068 0.00006 0.20986 -0.00001 0.07582 -0.00016 0.14195 0.09907 -0.79858 -0.00026 0.56883 1.09922 -0.48999 0.38242 0.10784 -0.07835 0.05168 -0.04379 -0.00810 0.01957 -0.00009 -0.00016 0.00000 -0.00087 0.00099 -0.00130 0.00974 0.00531 -0.00169 0.00621 0.07419 0.00001 0.01019 -0.08462 0.00000 0.02140 -0.02781 -0.00002 -0.00001 0.03255 0.00025 0.28690 -0.40443 -0.31437 -0.36119 -0.00482 -1.43896 -0.00069 0.17867 0.36141 1.76161 -0.00045 -0.90988 0.08029 -0.19313 0.20820 -0.08202 0.37913 0.00069 0.00014 -0.71511 -0.00463 0.84311 -0.00015 -0.26820 -0.23626 -0.01673 0.00030 -1.52137 -0.19637 0.06432 -0.12006 0.01150 0.03149 -0.04525 0.01691 -0.00289 -0.00994 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.07359 -0.00002 0.00003 0.10784 0.00002 0.00000 0.01723 -0.01717 0.00000 -0.12133 0.00028 -0.00014 -0.00009 0.00047 1.69466 -0.00582 1.37662 0.00241 0.00038 0.00007 -0.90871 0.00060 0.00028 0.00038 -0.00003 -0.00005 -0.00001 0.13838 -0.66877 -0.00071 0.00037 -0.00026 0.58265 0.00046 0.00007 0.00000 1.26791 0.00043 0.00021 -0.00006 0.00010 -0.00007 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 0.60041 0.00002 -0.08281 0.00118 -0.02792 0.04829 0.05190 0.01596 -0.00003 -0.05412 0.02260 0.00001 -0.00964 0.00991 0.00000 0.00000 -0.00074 -0.00010 -0.03730 0.00591 0.04022 -0.07683 0.00003 -0.00121 -0.00001 0.00745 -0.03335 0.00920 0.00003 0.03717 0.05100 -0.04575 0.10899 0.04813 0.02342 0.00005 0.00002 -0.03412 0.01968 -0.00661 -0.00004 -0.00549 0.00306 0.02419 0.00000 0.00774 -0.00190 0.02403 -0.01525 0.00473 -1.75217 0.17589 0.00003 -0.00245 0.00552 0.00001 0.00000 0.00010 0.43431 0.00005 -0.10388 0.00157 -0.03498 0.06188 0.06675 0.02048 -0.00003 -0.07015 0.02945 0.00001 -0.01308 0.01279 0.00000 0.00000 -0.00085 -0.00013 -0.04932 0.00809 0.05107 -0.10328 0.00004 -0.00117 -0.00001 0.00989 -0.04502 0.01423 0.00004 0.05285 0.07905 -0.07019 0.16757 0.08599 0.03529 0.00007 0.00003 -0.05952 0.02729 -0.00647 -0.00006 -0.01145 0.00075 0.03731 0.00000 0.01012 -0.00028 0.04791 -0.02230 0.01224 1.91696 -0.19453 0.00017 0.00425 -0.00944 0.00013 0.00015 -0.00007 0.01691 -0.00058 0.30324 -0.00650 0.10903 -0.20080 -0.22149 -0.06928 0.00012 0.24567 -0.10330 -0.00004 0.05326 -0.04302 -0.00001 -0.00001 0.00161 0.00032 0.13727 -0.03526 -0.05828 0.30888 -0.00023 -0.03150 0.00000 -0.01051 0.17287 -0.11817 -0.00023 -0.30348 -0.61914 0.56852 -1.23691 -0.90573 -0.30129 -0.00059 -0.00024 0.59000 -0.16458 0.02753 0.00059 0.18009 0.08795 -0.40732 0.00000 -0.05932 0.06136 -0.34561 0.09094 -0.10094 -0.41297 0.06707 -0.01442 -0.00559 -0.00182 0.00232 0.00213 0.00345 -0.00583 0.00287 0.03265 0.00374 0.00417 -0.09921 -0.10775 -0.03609 -0.00001 0.04891 -0.05505 0.00000 0.03603 0.00307 -0.00002 0.00003 -0.00467 0.00165 0.47438 0.09434 -1.61255 1.75924 0.00085 0.44338 0.00050 -0.30128 0.28907 0.00835 -0.00005 0.43281 1.47606 -1.82213 1.88210 -0.24840 0.60835 0.00129 0.00084 -0.29342 1.68529 -1.58243 -0.00135 -0.32647 -0.18471 1.33412 -0.00016 0.28481 -1.87173 -2.14799 -0.00439 -0.69032 0.18661 -0.13156 -0.25768 -0.03949 -0.20448 -0.00034 0.00028 0.00000 -0.00009 -0.00026 0.00209 0.20102 0.00792 0.08668 -0.16637 0.37035 0.00005 0.09365 0.05161 0.00001 -0.18653 0.10797 -0.00001 0.00000 0.01950 0.00005 -0.01004 0.06797 0.01109 0.10559 0.00079 0.21562 -0.00170 0.91532 -0.01006 0.20964 -0.00030 -0.02416 -0.61196 -0.48256 0.05235 -0.04073 0.14791 0.00025 0.00007 -0.21460 -0.08729 0.10689 -0.00002 0.02689 -0.06665 0.02042 -0.00001 0.07603 0.03890 -0.18993 -0.07574 0.48514 0.00599 0.00948 -0.01649 0.03447 0.01708 0.00009 0.00013 -0.00002 -0.00011 -0.00002 -0.00014 -0.00055 -0.30008 -0.17138 -0.17297 -0.00840 -0.00010 -0.25330 0.05479 0.00004 -0.16713 -0.21457 -0.00003 -0.00003 0.00355 0.00018 0.18185 -0.01814 -0.02375 0.13089 -0.00041 -0.09583 -0.00022 0.12934 0.24339 -0.22992 0.00012 -0.10532 -0.45824 0.82689 0.81682 0.04095 0.27774 0.00040 0.00005 0.13045 0.16924 -0.17955 -0.00012 0.06344 0.05603 0.04245 0.00001 0.04684 -0.13206 0.16419 0.46723 0.11491 0.01298 -0.00064 -0.00926 -0.01561 0.02454 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00006 -0.00002 -0.00004 0.00000 0.00001 -0.00003 0.38184 -0.00010 0.00000 -0.32245 -0.00006 -0.00002 -0.11462 -0.04057 0.00000 0.77028 -0.00099 0.00005 0.00036 -0.00041 0.14023 -0.00060 -0.37828 -0.00078 -0.00004 -0.00012 -0.63662 0.00030 0.00003 0.00024 0.00012 0.00007 0.00003 0.01347 -0.06845 -0.00007 0.00002 0.00002 0.06585 0.00006 0.00005 -0.00004 -0.01934 -0.00001 0.00010 0.00023 0.00000 0.00004 0.00002 0.00000 0.00002 0.00000 0.00001 -0.00210 0.00239 -0.00012 0.00151 -0.00300 0.00804 -0.02585 0.00030 0.01539 0.00307 0.04785 0.00000 0.00212 0.00249 -0.00004 -0.05313 0.02072 0.00007 -0.00003 0.15990 0.00013 0.16948 -0.15733 0.48784 0.39058 0.00166 0.42656 -0.00134 0.82140 -1.08055 0.57580 0.00045 0.62383 1.88320 1.93333 -0.44081 -0.21238 0.24820 -0.00018 -0.00054 0.40516 0.78156 1.68698 -0.00090 0.33899 -0.34140 -0.88748 -0.00002 -0.50658 0.63395 -1.15588 0.26641 1.91165 -0.05272 0.13032 -0.12493 0.16646 0.11537 0.00041 0.00091 -0.00209 0.00003 -0.00054 -0.00572 -0.00867 0.00064 -0.01762 -0.00693 -0.00782 -0.00001 0.00695 -0.02183 0.00000 0.09565 0.12191 0.00008 0.00009 -0.00400 -0.00002 -0.08560 -0.10369 0.07279 0.30697 -0.00064 -0.17656 -0.00124 0.49503 1.10079 -0.72366 0.00101 1.93875 0.58142 -0.05375 -0.74417 0.40679 -0.00499 -0.00024 0.00034 -0.05504 0.99215 -0.62696 -0.00117 0.35523 1.14074 -0.18521 0.00007 0.53396 -0.06419 0.55894 1.74394 0.51475 0.00273 0.01514 -0.05722 -0.09967 0.18613 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.08977 0.00001 -0.00001 -0.07796 0.00000 0.00001 -0.02492 -0.02002 -0.00001 0.36862 -0.00051 0.00000 0.00037 -0.00047 -0.12085 0.00029 0.68073 0.00144 0.00004 0.00012 1.32667 -0.00060 -0.00040 -0.00015 -0.00021 0.00024 0.00019 -0.27473 0.34617 -0.00002 0.00063 0.00046 1.35415 0.00099 0.00021 -0.00036 -0.07589 -0.00006 0.00036 0.00078 0.00007 0.00007 -0.00002 0.00002 0.00007 -0.00001 0.00005 -0.00008 -0.00006 0.00001 -0.00026 -0.00056 0.00737 -0.01344 -0.00657 0.09665 -0.09497 -0.09959 -0.10958 -0.00819 0.05250 -0.17495 -0.06994 0.09152 -0.06155 0.10881 -0.00512 -0.03627 0.00675 -0.01623 -0.04342 -0.03206 0.13484 -0.06825 0.05939 0.02363 -0.01523 0.05193 -0.01300 0.02340 0.00622 0.13312 -0.13208 -0.04813 -0.05017 -0.07917 -0.06747 -0.09948 -0.03898 -0.06268 -0.06841 0.19353 -0.18759 0.78955 -1.04883 0.53392 -0.15117 0.13626 -0.14951 0.06568 0.01557 0.02726 0.00653 0.00643 -0.00037 -0.00070 0.00014 -0.00032 -0.00033 0.00407 -0.00102 0.00105 0.00419 0.00143 -0.02547 -0.04059 -0.06110 -0.00671 0.01520 -0.10969 -0.06235 0.09783 -0.05189 0.12948 -0.01530 -0.14166 0.11957 -0.12603 -1.13098 -0.65918 1.65387 -0.80318 0.39161 0.46215 -0.22129 0.44418 -0.10096 0.07021 0.16296 0.33348 -0.25728 -0.01686 0.19624 0.05792 -0.31279 -0.65541 0.37888 -0.32098 0.45341 -1.40145 0.02496 -0.70121 1.82843 -1.13256 -0.20674 0.24733 -0.00533 0.48009 -0.00111 -0.18241 0.01334 0.03705 0.04055 -0.00008 -0.00005 -0.00001 -0.00016 -0.00045 0.00653 -0.01386 -0.00812 0.10618 -0.08877 0.01352 0.00000 -0.06082 -0.23356 0.00001 0.09426 -0.12924 0.00000 -0.00001 0.01555 -0.00002 0.00259 -0.02412 -0.00259 -0.07542 0.00057 0.15951 0.00001 0.00682 -0.06572 -0.04388 0.00002 0.11140 -0.07772 0.02412 -0.09395 0.06320 0.01371 -0.00009 0.00020 -0.18331 -0.13493 -0.15691 -0.00014 0.36287 -0.00867 0.31083 0.00030 -1.05575 -0.89601 0.19289 -0.10745 0.09818 0.01005 0.02312 0.00688 0.00557 0.00198 -0.00051 0.00030 -0.00023 0.00089 0.00259 0.00026 -0.00224 0.00399 0.00925 -0.01673 -0.00917 0.00000 -0.05655 -0.14246 0.00000 0.08285 -0.12221 0.00002 -0.00001 -0.02942 0.00009 0.09155 -0.14647 -0.47318 -0.84475 0.00711 1.99613 -0.00004 0.07811 -0.14480 -0.58685 0.00066 1.22328 -0.08156 0.98870 -0.64374 -0.08796 -0.30700 -0.00095 0.00068 -0.00975 0.40759 -0.99056 0.00063 -1.27728 0.10683 -0.48692 -0.00045 2.12728 1.28179 -0.06661 0.13135 0.35594 -0.04732 -0.12175 -0.01210 0.03214 0.03984 -0.00008 -0.00006 0.00001 -0.00026 -0.00056 0.00737 -0.01344 -0.00657 0.09665 -0.09497 -0.09960 0.10956 -0.00825 0.05255 0.17496 -0.06988 0.09154 0.06156 -0.10880 -0.00512 0.03628 0.00666 -0.01623 -0.04338 -0.03216 -0.13528 -0.06732 -0.05949 0.02346 -0.01527 0.05194 0.01302 0.02341 0.00624 0.13314 -0.13210 -0.04813 -0.05034 0.07872 0.06783 -0.09938 -0.03888 -0.06247 0.06835 0.19364 -0.18782 0.78965 1.04837 0.53459 -0.15125 0.13629 -0.14959 0.06553 0.01557 0.02726 0.00654 0.00643 -0.00038 -0.00070 0.00014 -0.00032 -0.00033 0.00407 -0.00101 0.00105 0.00419 0.00144 -0.02547 -0.04060 0.06109 -0.00674 0.01523 0.10970 -0.06232 0.09786 0.05192 -0.12946 -0.01529 0.14208 0.11915 -0.12603 -1.13071 -0.66034 -1.65886 -0.79178 -0.39343 0.46100 -0.22161 0.44428 0.10103 0.07014 0.16292 0.33340 -0.25731 -0.01684 0.19622 -0.05789 0.31416 -0.65467 0.37836 -0.32074 -0.45256 -1.40217 0.02504 -0.70141 -1.82755 -1.13378 -0.20675 0.24715 -0.00527 0.48046 -0.00111 -0.18241 0.01333 0.03706 0.04056 -0.00009 0.00028 0.00002 0.00025 -0.00020 0.06449 0.10298 -0.05061 0.08621 0.18951 -0.10222 0.00001 0.04222 -0.10048 0.00002 -0.13041 -0.03373 0.00000 -0.00002 -0.02677 0.00015 0.15464 0.12334 0.05302 -0.07071 -0.00017 -0.05729 0.00009 -0.06216 0.06828 -0.07314 0.00004 0.01346 -0.09503 0.00434 0.01056 0.13403 -0.35815 -0.00032 -0.00027 -0.25961 0.37742 0.11334 -0.00035 0.17548 -1.01539 -0.49971 -0.00015 0.21783 -0.43407 -0.44361 0.17482 0.39121 -0.01183 0.00984 -0.02391 0.01253 0.00781 0.00053 0.00035 -0.00001 0.00030 0.00084 -0.00175 0.01638 0.00933 0.03254 0.09384 -0.06397 0.00002 0.00732 -0.07399 0.00002 -0.09553 -0.01445 -0.00002 -0.00001 -0.01361 0.00064 0.83631 1.15721 0.16922 -0.68952 -0.00081 -0.25601 0.00067 -0.36015 0.26563 -0.15081 -0.00010 -0.36058 -0.76607 -0.61278 -0.03988 -0.21280 -0.12158 -0.00015 0.00015 -0.08190 -1.41452 0.06505 0.00169 -0.91544 1.23199 0.52825 0.00002 0.38010 -0.80675 0.31752 -0.05089 -0.48273 -0.01505 -0.03707 -0.01450 -0.03566 -0.01365 1 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 2 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 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 H 1S 2S 7 H 1S 2S 8 H 1S 2S 9 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 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|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 H 1S|2S|7 H 1S|2S|8 H 1S|2S|9 H 1S|2S 1.13239 0.85931 0.95682 0.87257 0.96259 1.17791 1.27993 0.13610 0.38299 0.47001 1.13236 0.85939 0.95811 0.87861 0.98121 1.17652 1.28992 0.19450 0.40283 0.51701 1.13255 0.85917 0.97706 0.85021 1.28870 1.02756 1.06035 0.45231 0.22264 0.40366 1.17438 0.81437 0.75297 0.67418 0.72674 0.91838 0.98326 0.09272 0.16201 0.19960 1.17456 0.81445 0.81148 0.12823 0.81232 0.84646 0.78248 0.07171 0.11508 0.16453 0.50987 0.24490 0.51273 0.24533 0.50987 0.24490 0.47443 0.14278 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 O O O C C H H H H -0.230622 -0.390456 -0.274221 -0.498604 0.278712 0.245235 0.241937 0.245231 0.382788 0.00000 -3.02205483e-01 -9.56414349e-02 -1.11440188e-04 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.7681 -0.2431 -0.0003 0.8057 -18.0046 -36.7109 -28.4572 0.0031 -0.0008 -0.0006 9.7196 -8.9867 -0.7329 0.0031 -0.0008 -0.0006 14.7824 3.5358 0.0005 -3.5797 -0.8510 -0.0047 1.4149 -1.1807 0.0002 0.0000 -243.0854 -139.1366 -30.3114 -9.8836 -0.0119 -3.3738 -0.0030 -0.0019 -0.0022 -78.5081 -58.7802 -26.3625 -0.0034 -0.0004 0.4320 0 -303.9341151 2.861E-9 7.672E-5 7.226286,-6.6813789,-0.5449071,0.0023151,-0.0005652,-0.0004323 C01 [X(C2H4O3)] -0.3022055 -0.0956414 -0.0001114 @ 0.000199473 0.000038137 0.000023949 0.000120572 0.000032692 0.000023475 -0.000009289 -0.000047243 0.000033126 -0.000174031 -0.000188675 0.000005043 -0.000113175 0.000017378 -0.000089570 0.000013835 0.000022346 -0.000032936 -0.000034643 0.000065950 0.000000694 0.000009491 0.000021819 0.000032092 -0.000012233 0.000037596 0.000004129 72.0196 AuxInfo=1/0/N:4,5,2,3,1/CRV:2.3,4.1/rA:9OOO1CC3HHHH/rB:;;s1;s1s2s3;s4;s4;s4;s2;/rC:;;;;;;;;; Gaussian 09 GINC-KIMIK2021 CBGUSER 000078579 EM64L-G09RevD.01 13-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 21 C1[X(C2H4O3)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 72.0196 0 1 AuxInfo=1/0/N:4,5,2,3,1/CRV:2.3,4.1/rA:9OOO1CC3HHHH/rB:;;s1;s1s2s3;s4;s4;s4;s2;/rC:;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-14861.inp" -scrdir="/scratch/" chk=000078579-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 000078579 1 2 3 4 5 6 7 8 9 16 16 16 12 12 1 1 1 1 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 0 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 (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| 0.000209 0.000077 0.000994 0.000488 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.210099e-07 Optimization completed. -- Stationary point found. 1 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 178.6398188277 58 136 58 20 20 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 9 9 9 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 72.0196 AuxInfo=1/0/N:4,5,2,3,1/CRV:2.3,4.1/rA:9OOO1CC3HHHH/rB:;;s1;s1s2s3;s4;s4;s4;s2;/rC:;;;;;;;;; 0.000000 2.232274 0.000000 2.349347 2.347463 0.000000 1.482878 3.600806 2.762924 0.000000 1.374544 1.389103 1.251618 2.404430 0.000000 2.132717 3.962080 2.750711 1.102737 2.700492 0.000000 2.053692 4.285270 3.825280 1.098098 3.282095 1.815542 0.000000 2.132709 3.962297 2.750903 1.102736 2.700481 1.800226 1.815545 0.000000 3.092060 0.992136 2.427205 4.334971 1.944238 4.574887 5.131384 4.575217 0.000000 C2H4O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 72.0196 AuxInfo=1/0/N:4,5,2,3,1/CRV:2.3,4.1/rA:9OOO1CC3HHHH/rB:;;s1;s1s2s3;s4;s4;s4;s2;/rC:;;;;;;;;; 10.3642569 4.1663271 3.0299157 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= 741 NPrTT= 3858 LenC2= 733 LenP2D= 2962. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 58 RedAO= T EigKep= 1.21D-02 NBF= 58 NBsUse= 58 1.00D-06 EigRej= -1.00D+00 NBFU= 58 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= 58 58 58 58 58 MxSgAt= 9 MxSgA2= 9. 1 Closed 1 0 1 -303.775371849710 -303.698360303786 0.077011545923 -303.866717834443 -0.168357530657 -303.881547319203 -0.014829484760 -303.926568154903 -0.045020835700 -303.933736913728 -0.007168758825 -303.934095339842 -0.000358426114 -303.934110362719 -0.000015022877 -303.934111101979 -0.000000739260 -303.934115362967 -0.000004260988 -303.934115241431 0.000000121536 -303.934115389916 -0.000000148485 -303.934115390887 -0.000000000971 -303.934115391784 -0.000000000897 -303.934115391802 -0.000000000018 -303.934115391801 0.000000000001 -303.934115391804 -0.000000000003 -303.934115392 17 3.026937196543e+02 -1.072212268699e+03 2.869446148254e+02 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=2371760. IVT= 29452 IEndB= 29452 NGot= 939524096 MDV= 938030029 LenX= 938030029 LenY= 938026224 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= 1711 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= 9. Will process 10 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111 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= 939523944 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=2343443. 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= 1711 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 30 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 27 vectors produced by pass 0 Test12= 2.53D-15 3.33D-09 XBig12= 5.00D+01 4.30D+00. AX will form 27 AO Fock derivatives at one time. 27 vectors produced by pass 1 Test12= 2.53D-15 3.33D-09 XBig12= 4.38D+01 1.98D+00. 27 vectors produced by pass 2 Test12= 2.53D-15 3.33D-09 XBig12= 3.10D-01 1.02D-01. 27 vectors produced by pass 3 Test12= 2.53D-15 3.33D-09 XBig12= 6.72D-05 1.57D-03. 17 vectors produced by pass 4 Test12= 2.53D-15 3.33D-09 XBig12= 1.01D-08 2.14D-05. 2 vectors produced by pass 5 Test12= 2.53D-15 3.33D-09 XBig12= 7.29D-13 1.94D-07. InvSVY: IOpt=1 It= 1 EMax= 4.44D-15 Solved reduced A of dimension 127 with 30 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 31.64 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 42.162 0.816 32.626 0.001 0.001 20.121 60.271 0.836 70.287 0.002 0.007 27.652 (Enter /mnt/data/applications/G09/g09/l716.exe) PT68.500S 2017-06-13T09:10:43.000+02:00 -18.82440 -18.82263 -18.77420 -10.08356 -9.96264 -1.05778 -0.97763 -0.94863 -0.68166 -0.57238 -0.49396 -0.44691 -0.43024 -0.40138 -0.38862 -0.36667 -0.31999 -0.28595 -0.27069 -0.25023 -0.03542 0.00655 0.05828 0.08982 0.12909 0.16457 0.16566 0.21453 0.21787 0.22459 0.26281 0.29141 0.30853 0.37551 0.40758 0.51523 0.59263 0.61740 0.62499 0.68106 0.71818 0.76188 0.79579 0.80905 0.84254 0.89296 0.99426 1.03293 1.07040 1.14696 1.56220 1.59619 1.67774 22.28974 22.48300 41.43316 41.47309 41.49585 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 O O O C C H H H H -0.230612 -0.390457 -0.274215 -0.498622 0.278703 0.245240 0.241937 0.245236 0.382788 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 O O O C C -0.230612 -0.007669 -0.274215 0.233792 0.278703 0.00000 -3.05677207e-01 8.38644808e-02 1.11666474e-04 4.21618611e+01 8.16068423e-01 3.26263567e+01 1.02834081e-03 1.28959796e-03 2.01213215e+01 -8.1010 -6.5042 0.0007 0.0009 0.0010 1.8962 86.0483 167.3738 265.6986 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 85.9786 167.3728 265.6980 475.0542 518.2295 606.1431 700.5772 819.0053 1004.2059 1102.8988 1119.1311 1158.9589 1336.3361 1431.6578 1454.2099 1464.3666 1645.5979 3008.2318 3111.0820 3157.4968 3573.9047 1.1099 3.6768 3.8266 5.2161 1.0933 6.3930 11.7293 5.3886 6.4825 2.4169 1.2546 1.4375 2.1944 1.2180 1.0491 1.0524 8.3003 1.0300 1.1051 1.1045 1.0652 0.0048 0.0607 0.1592 0.6936 0.1730 1.3839 3.3918 2.1296 3.8516 1.7321 0.9258 1.1377 2.3089 1.4708 1.3071 1.3296 13.2432 5.4919 6.3021 6.4881 8.0158 0.2797 9.7636 12.5413 43.0150 158.5073 0.2643 34.7511 14.5192 14.3169 505.0766 0.0207 1.5605 124.8131 40.9205 15.5130 12.2500 321.8546 27.6339 26.7450 13.8777 54.6269 8 8 8 6 6 1 1 1 1 0.00 0.00 0.01 0.00 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 -0.04 0.00 0.00 0.01 0.19 0.46 -0.34 0.00 0.00 0.51 -0.19 -0.46 -0.34 0.00 0.00 -0.02 0.00 0.00 0.32 0.00 0.00 -0.19 0.00 0.00 0.05 0.00 0.00 -0.21 0.00 0.00 0.08 -0.40 -0.05 -0.22 0.00 0.00 -0.57 0.40 0.05 -0.22 0.00 0.00 -0.26 0.01 0.14 0.00 -0.10 -0.08 0.00 0.25 0.12 0.00 -0.17 -0.25 0.00 0.02 0.12 0.00 -0.40 -0.30 0.01 0.09 -0.49 0.00 -0.40 -0.30 -0.01 0.01 -0.22 0.00 -0.18 -0.03 0.00 0.25 0.21 0.00 0.21 -0.16 0.00 -0.27 0.05 0.00 -0.03 -0.15 0.00 -0.25 0.03 0.01 -0.24 0.02 0.00 -0.25 0.03 -0.01 -0.11 0.70 0.00 0.00 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -1.00 0.02 0.28 0.00 0.30 -0.21 0.00 -0.29 -0.05 0.00 -0.20 0.05 0.00 0.20 -0.03 0.00 -0.41 0.00 0.01 0.12 -0.25 0.00 -0.41 0.00 -0.01 0.35 -0.28 0.00 0.00 0.00 0.21 0.00 0.00 0.20 0.00 0.00 0.26 0.00 0.00 0.01 0.00 0.00 -0.87 -0.11 0.03 -0.03 0.00 0.00 -0.09 0.11 -0.03 -0.03 0.00 0.00 -0.22 0.01 0.34 0.00 -0.13 0.10 0.00 -0.01 -0.26 0.00 0.26 -0.08 0.00 -0.09 -0.17 0.00 -0.05 -0.10 -0.01 0.49 -0.29 0.00 -0.05 -0.10 0.01 -0.38 0.43 0.00 0.34 -0.08 0.00 -0.24 0.18 0.00 -0.01 -0.19 0.00 -0.28 0.21 0.00 0.19 -0.06 0.00 -0.35 0.07 0.08 0.19 -0.23 0.00 -0.35 0.07 -0.08 0.18 -0.46 0.00 0.20 0.01 0.00 0.03 -0.13 0.00 0.00 0.05 0.00 -0.09 0.06 0.00 -0.19 -0.01 0.00 0.07 0.02 0.03 0.02 -0.04 0.00 0.07 0.02 -0.03 -0.57 0.74 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 -0.55 0.34 -0.17 0.00 0.00 -0.29 0.55 -0.34 -0.17 0.00 0.00 0.02 -0.05 -0.08 0.00 0.02 -0.02 0.00 0.01 0.04 0.00 0.09 0.12 0.00 -0.03 0.01 0.00 -0.43 -0.10 0.09 0.63 -0.39 0.00 -0.43 -0.10 -0.09 -0.03 0.06 0.00 -0.05 -0.03 0.00 -0.08 -0.04 0.00 -0.03 0.04 0.00 0.02 -0.02 0.00 0.29 -0.02 0.00 -0.17 0.03 -0.05 -0.17 0.15 0.00 -0.17 0.03 0.05 -0.57 0.68 0.00 0.05 0.00 0.00 0.02 0.00 0.00 0.00 -0.04 0.00 0.09 -0.02 0.00 -0.06 0.04 0.00 -0.52 -0.02 -0.05 -0.46 0.47 0.00 -0.52 -0.02 0.05 0.04 -0.04 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.42 0.21 -0.07 0.00 0.00 -0.73 -0.42 -0.21 -0.07 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.01 0.00 0.00 0.10 -0.55 0.41 -0.15 0.17 0.00 0.10 -0.55 -0.41 -0.01 0.01 0.00 0.06 0.06 0.00 -0.02 0.07 0.00 0.00 0.38 0.00 0.03 -0.01 0.00 -0.04 -0.66 0.00 -0.24 -0.04 -0.02 -0.22 0.21 0.00 -0.24 -0.04 0.02 0.23 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 0.05 -0.35 -0.53 0.29 0.33 0.00 0.05 -0.35 0.53 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 0.09 0.00 0.00 0.00 0.05 -0.41 -0.57 0.00 0.00 0.02 -0.05 0.41 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 -0.03 0.15 0.26 0.60 0.67 0.00 -0.03 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.03 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 -0.82 -0.57 0.00 298.150 1.00000 1 2 3 4 5 6 7 8 9 8 8 8 6 6 1 1 1 1 15.99491 15.99491 15.99491 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 76.01604 174.13127 433.17319 595.64073 0.99999 -0.00527 0.0 0.00527 0.99999 -6.0E-5 0.0 6.0E-5 1.0 asymmetric 1 0.49741 0.19995 0.14541 10.36426 4.16633 3.02992 168710.2 123.70 240.81 382.28 683.50 745.62 872.10 1007.97 1178.36 1444.83 1586.82 1610.18 1667.48 1922.69 2059.83 2092.28 2106.89 2367.65 4328.17 4476.15 4542.93 5142.05 0.064258 0.069862 0.070806 0.035333 -303.869857 -303.864254 -303.863309 -303.898782 43.839 18.112 74.658 0.000 0.000 0.000 0.889 2.981 38.901 0.889 2.981 25.311 42.061 12.151 10.447 1 0.601 1.959 3.750 2 0.624 1.883 2.465 3 0.672 1.736 1.624 4 0.832 1.305 0.724 5 0.873 1.210 0.614 6 0.965 1.019 0.439 0.559470e-16 -16.252223 -37.422128 0.201597e+14 13.304483 30.634705 0.283045e-28 -28.548144 -65.734532 1 0.239299e+01 0.378941 0.872544 2 0.120508e+01 0.081016 0.186546 3 0.728958e+00 -0.137298 -0.316140 4 0.353548e+00 -0.451552 -1.039737 5 0.311977e+00 -0.505877 -1.164825 6 0.244786e+00 -0.611213 -1.407370 0.101991e+02 1.008562 2.322301 1 0.294467e+01 0.469036 1.079996 2 0.180469e+01 0.256403 0.590389 3 0.138396e+01 0.141122 0.324946 4 0.111237e+01 0.046249 0.106492 5 0.108935e+01 0.037166 0.085578 6 0.105670e+01 0.023954 0.055155 0.100000e+01 0.000000 0.000000 0.260503e+08 7.415813 17.075541 0.758766e+05 4.880108 11.236863 000078579 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.7770 0.2132 0.0003 0.8057 -18.0797 -36.6815 -28.4572 0.7251 0.0008 -0.0006 9.6598 -8.9420 -0.7177 0.7251 0.0008 -0.0006 12.9888 -4.3189 0.0011 -4.4453 1.6716 0.0051 0.5035 1.1363 0.0005 0.0001 -242.9139 -138.9582 -30.3114 9.7277 0.0124 -0.4999 -0.0029 0.0019 -0.0022 -78.0968 -58.6412 -26.4364 -0.0029 0.0004 -1.6468 (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) 0 1-A -303.9341154 2.137E-9 7.687E-5 0.0642583 0.0698617 C01 [X(C2H4O3)] -0.3021976 -0.0956474 -0.0001117 -1.3797235 0.1574138 0.0000098 0.3873567 -0.5446665 -0.0000641 -0.0001315 0.0000326 -0.2954269 -1.0846633 -0.4879836 -0.0000332 -0.5028696 -0.5030496 0.000024 0.0001644 0.000159 -0.4326358 -0.6573579 0.0278087 0.0000162 0.0888533 -1.0533795 0.0001299 0.0000722 -0.0002339 -0.3429746 0.7036818 0.039609 0.000041 0.1513351 0.2286557 0.0000224 0.0000255 0.0000091 0.2895572 2.0924077 0.0921476 -0.00008 -0.1846685 1.6208625 -0.0000835 -0.0002108 0.000047 0.3533251 0.0157881 -0.0024863 0.0221137 -0.0906168 0.0395263 -0.099627 -0.0281862 -0.0923683 -0.0553401 -0.0285541 0.0725374 -0.0000132 0.1198173 -0.0022563 0.0000121 -0.0000217 0.0000046 0.1283604 0.0158149 -0.0025208 -0.0220833 -0.09066 0.0395095 0.0996191 0.028216 0.09238 -0.0553295 0.3226063 0.1034743 0.000029 0.1214525 0.1747978 -0.0000328 0.0000721 -0.0000302 0.4104643 42.2107434|-0.4443664|32.5774745|-0.0010775|0.0012488|20.1213215 0.48174489 -0.02448512 0.28254683 0.00002835 0.00001362 0.06247594 -0.07836986 -0.01554396 0.00000707 0.57677234 0.01341458 0.01631087 0.00000117 -0.08876811 0.34442782 0.00000581 0.00000299 0.00770955 -0.00014004 0.00004957 0.02849544 -0.00780843 0.04545587 0.00000553 0.00007831 -0.04709208 -0.00000263 0.08680621 0.03168329 -0.05139421 -0.00001656 -0.02546641 -0.05092719 -0.00001217 -0.01536009 0.67411880 -0.00000283 -0.00000460 0.02371048 0.00000588 0.00000555 0.02227594 -0.00000659 0.00013996 0.02907988 -0.13430900 -0.02509430 -0.00001360 0.00491721 0.00427600 -0.00000106 0.00409256 -0.01300955 -0.00000339 0.44405470 -0.06570678 -0.09523839 -0.00000558 0.00659740 -0.00215679 -0.00000042 0.00513578 -0.00451183 -0.00000044 -0.09953620 0.54238239 -0.00001658 -0.00000224 -0.05262572 0.00000426 0.00000107 0.00274724 0.00000175 -0.00000111 -0.00296655 -0.00002041 -0.00001679 0.56040563 -0.19055546 0.05329147 -0.00001524 -0.19127390 -0.04277842 0.00003710 -0.09070542 0.01302023 0.00000651 -0.05818332 0.01769166 -0.00001007 0.56308252 0.09259437 -0.13789892 0.00001567 -0.09736696 -0.14007063 0.00003035 0.00979303 -0.56848494 -0.00014002 -0.00375232 0.00972539 -0.00000207 -0.00955839 0.83456280 0.00000150 -0.00000711 -0.05452021 0.00002276 -0.00000494 -0.05051418 0.00000440 -0.00011265 -0.06948150 -0.00000137 0.00000208 -0.00307705 -0.00003384 0.00011044 0.17652736 -0.01888836 -0.02127694 -0.02325559 -0.00081130 0.00043574 0.00066328 0.00035977 0.00318088 0.00068311 -0.04466647 -0.00023711 -0.00417313 0.00451599 -0.00868700 -0.00308000 0.05403872 -0.01049683 -0.01069039 -0.01006554 -0.00062881 -0.00016711 0.00003237 -0.00081971 0.00118208 -0.00019302 -0.00519254 -0.12878225 -0.12201573 0.00357063 -0.00142440 -0.00021128 0.01300006 0.13959369 -0.00001602 0.00264838 0.00555541 0.00005592 0.00060431 -0.00032420 0.00098106 0.00170569 0.00002434 -0.01056806 -0.12338949 -0.22921615 0.00072216 -0.00291450 0.00073843 0.01040233 0.13431919 0.24097786 -0.03166176 0.01611536 -0.00000541 -0.00182564 0.00078668 0.00000024 0.00044205 0.00056796 0.00000016 -0.17075700 0.13521570 -0.00001164 -0.00196780 -0.00430773 0. 0.00336911 -0.00147018 -0.00140798 0.19926315 -0.02219437 0.00950430 -0.00000406 -0.00072578 0.00122155 0. 0.00154057 0.00177534 0.00000075 0.14853425 -0.19347571 0.00001546 -0.00466736 -0.00432013 -0.00000077 0.01153247 -0.00933358 0.00355239 -0.14512662 0.20415626 -0.00000530 0.00000275 0.00011863 -0.00000048 0.00000021 0.00008716 0.00000029 0.00000054 0.00045908 -0.00001198 0.00001301 -0.04822669 -0.00000050 -0.00000128 0.00000392 0.01827171 -0.01845800 0.00119954 0.00001631 -0.00001371 0.04504393 -0.01889533 -0.02128083 0.02324728 -0.00081189 0.00043589 -0.00066281 0.00036018 0.00318116 -0.00068090 -0.04467094 -0.00027050 0.00422483 0.00451526 -0.00868686 0.00307770 0.00225925 0.00197383 -0.00012977 0.00337439 0.01153509 -0.01827003 0.05404612 -0.01049836 -0.01069123 0.01006121 -0.00062916 -0.00016718 -0.00003248 -0.00082008 0.00118188 0.00019381 -0.00522794 -0.12880255 0.12202196 0.00356972 -0.00142349 0.00021180 0.00197920 0.00953778 -0.01647422 -0.00147627 -0.00933494 0.01845655 0.01303937 0.13961549 0.00000795 -0.00265655 0.00556260 -0.00005631 -0.00060394 -0.00032392 -0.00098144 -0.00170444 0.00002314 0.01062073 0.12339826 -0.22919154 -0.00072058 0.00291160 0.00073985 0.00013677 0.01647711 -0.01891891 0.00140832 -0.00355018 0.00119595 -0.01045491 -0.13432366 0.24094930 -0.00125668 -0.00718156 0.00000163 -0.30867527 0.15928972 0.00010012 0.00637478 0.00220253 -0.00000195 -0.00047774 0.00111005 0.00000099 -0.03942787 0.02997187 0.00000884 -0.00017672 0.00006356 -0.00003964 -0.00023649 -0.00042826 -0.00000003 -0.00017705 0.00006352 0.00003948 0.34405305 -0.00431077 -0.00244886 0.00000007 0.22253179 -0.16847134 -0.00007022 0.00216671 -0.00293993 -0.00000200 -0.00099740 0.00085975 -0.00000056 -0.03413954 0.00933432 0.00001243 0.00007269 0.00008418 -0.00005176 -0.00030491 -0.00019310 -0.00000006 0.00007285 0.00008426 0.00005180 -0.18509142 0.16369072 -0.00000288 0.00000275 0.00201332 0.00010095 -0.00005300 -0.01015302 -0.00000236 0.00000074 -0.00312479 -0.00000087 -0.00000063 0.00215084 0.00001446 -0.00001019 -0.00041662 0.00035152 0.00011490 -0.00003632 0. 0.00000012 0.00011849 -0.00035139 -0.00011499 -0.00003647 -0.00010943 0.00006030 0.00948457 -0.00020914 -0.00002543 -0.00002395 -0.00011920 -0.00005265 -0.00002342 0.00000694 0.00004315 -0.00003310 0.00017798 0.00018060 -0.00000493 0.00011078 -0.00000780 0.00008947 -0.00001022 -0.00002099 0.00003253 0.00003310 -0.00006082 -0.00000078 -0.00000592 -0.00002054 -0.00003168 0.00001568 -0.00003551 -0.00000415 0.000209137 0.000025434 0.000023954 0.000119199 0.000052653 0.000023422 -0.000006941 -0.000043148 0.000033097 -0.000177978 -0.000180605 0.000004929 -0.000110782 0.000007800 -0.000089472 0.000010220 0.000020993 -0.000032533 -0.000033095 0.000060821 0.000000775 0.000005917 0.000020539 0.000031677 -0.000015678 0.000035513 0.000004150 72.0196 AuxInfo=1/0/N:4,5,2,3,1/CRV:2.3,4.1/rA:9OOO1CC3HHHH/rB:;;s1;s1s2s3;s4;s4;s4;s2;/rC:;;;;;;;;;