Gaussian 16 GINC-CIBELES2-141 LAMSABHI Optimization 8h2O-BF3/ CONF4 gas EM64L-G16RevC.01 5-May-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 28 28 56 56 360 (5D, 7F) 6-311+G(d,p) 78 78 C1[X(BF3H16O8)] C1[X(BF3H16O8)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq 195.8014096 0 1 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;23;26;6;7;8;9;11;13;14;15;17;19;21;22;24;25;27;28/rA:28nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.0778,.3511,1.0301;.976,1.1141,2.18;.6181,1.0929,-.0692;2.3823,-.0668,.7937;.2285,-.8773,1.219;.1631,-1.5067,.4144;-.7547,-.6911,1.5198;.968,-1.27,-3.8132;-1.9541,2.3181,3.3831;-2.1693,-.4087,1.7358;-2.2295,.5435,1.9582;-.2266,-2.3417,-.8152;-1.1791,-2.1772,-.907;-2.5922,-.5464,.8675;.1763,-1.9499,-1.6128;.749,-.8686,-2.97;1.5718,-.4189,-2.6465;-1.8254,2.2145,2.4379;-.8689,2.191,2.3169;-1.4486,.7607,-2.3135;-1.0152,1.2827,-1.6311;-.7236,.2435,-2.7075;2.8996,.3504,-2.0092;2.9378,.0864,-1.0786;2.7084,1.291,-1.9687;-2.786,-1.0241,-.9009;-3.6406,-1.2428,-1.2762;-2.3847,-.3196,-1.4727; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/lamsabhi/opt-b3lyp.gjf-5084022/Gau-18677.inp" -scrdir="/temporal/lamsabhi/opt-b3lyp.gjf-5084022/" chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/8H2O/8h2O-BF3/gas/CONF4/op #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=41/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=41/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization 8h2O-BF3/ CONF4 gas 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 11 19 19 19 16 1 1 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 3 1 1 1 0 1 1 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 1 1 1 1 4 5 5 6 7 8 9 10 10 11 12 12 13 14 15 16 16 17 18 20 20 20 23 23 26 26 2 3 4 5 24 6 7 12 10 16 18 11 14 18 13 15 26 26 16 17 22 23 19 21 22 28 24 25 27 28 1.3837 1.4036 1.3901 1.5053 1.9589 1.0236 1.0448 1.5365 1.4586 0.9592 0.9595 0.9797 0.9756 1.7848 0.971 0.9757 1.9779 1.842 1.8274 0.9919 1.8639 1.6617 0.9644 0.9623 0.9738 1.6583 0.968 0.9607 0.9586 0.9922 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 2 2 2 3 3 4 1 1 1 6 7 7 11 10 6 6 13 12 10 8 8 8 15 15 17 9 9 11 21 21 22 16 17 17 24 4 13 13 13 14 14 27 1 1 1 1 1 1 4 5 5 5 10 10 10 11 12 12 12 13 14 16 16 16 16 16 16 18 18 18 20 20 20 22 23 23 23 24 26 26 26 26 26 26 3 4 5 4 5 5 24 6 7 7 11 14 14 18 13 15 15 26 26 15 17 22 17 22 22 11 19 19 22 28 28 20 24 25 25 23 14 27 28 27 28 28 109.5932 112.0935 107.7101 109.4508 110.1687 107.7895 113.9014 116.0503 114.9308 106.0064 106.3492 105.1478 108.2189 163.1442 103.4341 109.3444 105.0479 153.578 159.4998 118.4785 106.6769 123.6323 106.6191 90.0483 109.8163 109.6025 105.0302 99.6721 103.8668 104.3663 106.2274 164.1578 105.8966 108.0852 103.5557 158.265 93.9368 126.1631 94.7921 121.9242 109.0611 107.2765 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 5 5 12 16 20 5 5 12 16 20 6 7 15 17 28 6 7 15 17 28 12 10 16 23 26 12 10 16 23 26 14 13 1 1 1 14 13 1 1 1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 168.4821 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 173.3894 171.2329 176.2569 170.723 178.1643 184.9549 189.81 180.421 185.1243 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 2 3 5 2 2 3 3 4 4 1 1 1 6 6 1 1 7 7 7 14 7 11 10 10 19 6 15 6 6 6 13 13 13 12 12 12 10 10 10 8 8 15 15 22 22 8 15 17 21 28 21 21 21 22 22 22 17 25 1 1 1 1 1 1 1 1 1 4 5 5 5 5 5 5 5 5 10 10 10 10 11 11 11 12 12 12 12 12 12 12 12 13 13 13 14 14 14 16 16 16 16 16 16 16 16 16 20 20 20 20 20 20 20 20 23 23 4 4 4 5 5 5 5 5 5 24 10 10 10 10 12 12 12 12 11 11 14 14 18 18 18 13 13 16 16 16 16 16 16 26 26 26 26 26 26 23 23 23 23 23 23 22 22 22 22 22 26 26 26 26 26 26 24 24 24 24 24 6 7 6 7 6 7 23 11 14 11 14 13 15 13 15 18 18 26 26 9 19 9 26 26 8 17 22 8 17 22 14 27 28 13 27 28 24 25 24 25 24 25 20 20 20 16 16 13 14 27 13 14 27 4 4 -137.0049 -15.1903 104.6331 176.1889 51.7389 56.6962 -67.7537 -62.6719 172.8782 11.4406 -12.8437 100.544 -139.388 -26.0003 -112.3171 -2.5676 12.6176 122.3671 -15.681 -128.2162 7.5328 120.8686 -93.3065 16.5673 -109.8738 42.0569 -72.5805 155.2347 32.5938 -76.8845 -97.9397 139.4194 29.9411 -61.5386 163.4834 47.9893 18.4222 156.1334 -78.03 -134.3313 115.8841 -6.4911 -116.2757 88.6341 -21.1504 161.1426 36.1652 -71.5517 52.0644 -57.6919 -87.4519 6.3294 143.1587 20.3517 114.133 -109.0377 -64.9774 48.6439 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 372 A 360 A 560 372 950.6906942430 28 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 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. One-electron integral symmetry used in STVInt NBasis= 360 RedAO= T EigKep= 1.68D-04 NBF= 360 NBsUse= 360 1.00D-06 EigRej= -1.00D+00 NBFU= 360 Berny optimization. local minimum Step number 33 out of a maximum of 150 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00013 0.00131 0.00247 0.00354 0.00494 0.00541 0.00777 0.00825 0.00976 0.01260 0.01626 0.01700 0.01855 0.02103 0.02401 0.02584 0.02801 0.02933 0.03442 0.03603 0.03748 0.03973 0.04069 0.04535 0.04874 0.05196 0.05264 0.05644 0.05785 0.06003 0.06169 0.06539 0.06951 0.06981 0.07217 0.07379 0.07851 0.08063 0.08518 0.08963 0.09216 0.09910 0.10607 0.10750 0.11387 0.11513 0.11824 0.12180 0.12670 0.14950 0.15425 0.16057 0.17021 0.18650 0.19630 0.20201 0.23050 0.30276 0.37423 0.38896 0.40756 0.46404 0.46747 0.48044 0.48276 0.49028 0.50420 0.51095 0.51775 0.52448 0.53289 0.54587 0.55374 0.55476 0.55641 0.55746 0.58935 0.87890 -2.22604514e-07 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 2.63348 2.67394 2.64362 2.84029 3.40763 1.92614 1.96083 2.95409 2.81833 1.81826 1.81723 1.85204 1.84521 3.40370 1.84187 1.84756 3.66420 3.53551 3.47427 1.87410 3.60583 3.19642 1.83534 1.83228 1.84095 3.17499 1.84111 1.81867 1.81784 1.88110 1.91349 1.96731 1.87776 1.90666 1.91549 1.88239 2.06342 2.00547 1.97329 1.84069 1.86197 1.84643 1.89727 2.75597 1.82022 1.95461 1.84288 2.69561 2.74302 2.09181 1.86394 2.22762 1.88332 1.49362 1.86309 2.16208 1.85421 1.77828 1.80802 1.82040 1.91475 2.79008 1.89956 2.05085 1.83718 2.94838 1.66276 2.21971 1.60914 2.11660 1.90988 1.87417 2.92729 3.03128 2.96000 3.01246 2.92361 3.13356 3.22754 3.27431 3.13233 3.25964 -2.40647 -0.27470 1.80640 3.05516 0.94083 0.97419 -1.14014 -1.10130 3.06756 -0.25967 -0.32107 1.67588 -2.47819 -0.48125 -1.86517 0.08654 0.25316 2.20487 -0.12641 -2.11029 0.24264 2.23671 -2.01834 0.05944 -2.07778 0.67873 -1.38390 2.67070 0.50056 -1.33504 -1.70979 2.40326 0.56765 -1.03580 2.86663 0.87959 0.22447 2.66796 -1.41974 -2.54889 1.67851 -0.27542 -2.33120 1.27658 -0.77921 2.84546 0.66720 -1.20699 0.78369 -1.15168 -1.41119 0.22842 2.62300 0.47432 2.11393 -1.77467 -0.59066 1.62225 0.00001 -0.00001 -0.00004 0.00001 0.00000 0.00003 -0.00000 -0.00003 -0.00002 -0.00000 -0.00000 0.00001 0.00000 -0.00002 -0.00001 -0.00001 0.00002 -0.00000 0.00001 -0.00003 -0.00001 0.00005 0.00000 -0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00002 -0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00002 -0.00000 0.00000 -0.00000 -0.00002 0.00001 0.00000 -0.00003 -0.00000 -0.00000 0.00000 -0.00000 -0.00002 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00002 -0.00001 0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00002 0.00001 -0.00003 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00002 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00015 0.00035 -0.00020 -0.00005 0.00058 -0.00010 -0.00005 0.00047 0.00008 -0.00001 -0.00001 0.00002 -0.00003 -0.00016 -0.00001 -0.00003 0.00024 0.00037 0.00057 -0.00005 0.00084 0.00032 -0.00001 0.00001 -0.00004 -0.00018 -0.00004 -0.00000 -0.00001 -0.00001 -0.00012 0.00016 0.00005 -0.00006 -0.00010 0.00007 0.00033 -0.00005 0.00004 0.00006 0.00022 0.00003 0.00000 -0.00019 0.00009 -0.00018 -0.00005 -0.00008 -0.00017 0.00005 0.00004 -0.00025 0.00009 -0.00008 0.00017 0.00039 -0.00002 -0.00012 -0.00003 0.00011 -0.00004 -0.00015 -0.00013 -0.00047 -0.00003 -0.00033 0.00020 -0.00046 0.00037 -0.00019 0.00006 0.00016 -0.00009 0.00016 0.00001 0.00044 -0.00068 -0.00005 0.00001 0.00002 0.00017 -0.00004 0.00115 0.00106 0.00095 0.00024 0.00016 0.00041 0.00033 0.00050 0.00042 -0.00680 -0.00005 0.00006 -0.00008 0.00003 -0.00012 -0.00022 -0.00010 -0.00019 0.00018 0.00003 0.00015 0.00042 -0.00001 0.00009 -0.00011 -0.00032 -0.00014 0.00016 -0.00004 -0.00019 0.00017 -0.00003 -0.00018 0.00050 0.00098 0.00062 -0.00031 -0.00093 -0.00079 -0.00064 -0.00030 -0.00043 -0.00009 -0.00036 -0.00002 0.00060 0.00071 0.00063 -0.00080 -0.00090 0.00011 0.00039 0.00040 0.00002 0.00029 0.00031 0.00625 0.00559 0.00006 -0.00008 -0.00001 -0.00001 0.00011 0.00008 0.00005 -0.00037 -0.00018 0.00000 -0.00000 0.00001 0.00001 -0.00013 -0.00001 0.00000 0.00039 -0.00017 -0.00001 -0.00003 -0.00024 0.00035 0.00001 -0.00001 0.00001 0.00012 0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00002 0.00002 -0.00000 0.00001 -0.00002 -0.00012 -0.00004 0.00004 0.00004 -0.00004 -0.00002 -0.00000 -0.00007 -0.00016 -0.00006 -0.00001 -0.00002 -0.00014 -0.00011 -0.00005 -0.00005 -0.00011 0.00020 0.00015 0.00022 0.00003 0.00011 0.00000 0.00006 -0.00003 -0.00013 -0.00018 -0.00020 0.00001 -0.00000 0.00002 -0.00012 0.00004 0.00004 0.00002 0.00002 0.00010 0.00000 0.00013 -0.00005 0.00032 -0.00004 -0.00019 0.00014 0.00027 0.00022 0.00031 0.00030 0.00030 -0.00005 -0.00010 -0.00008 -0.00014 -0.00007 -0.00013 -0.00024 -0.00029 -0.00029 -0.00034 -0.00033 -0.00000 -0.00012 0.00009 -0.00003 0.00063 0.00068 0.00025 0.00019 -0.00087 -0.00060 -0.00027 -0.00009 0.00005 0.00009 0.00031 0.00010 -0.00013 0.00009 -0.00012 -0.00012 -0.00009 -0.00010 0.00001 -0.00011 -0.00004 0.00018 0.00048 0.00002 0.00032 0.00023 0.00053 0.00049 0.00049 0.00054 -0.00033 -0.00039 0.00001 0.00002 0.00018 0.00006 0.00007 0.00023 -0.00004 -0.00038 -0.00009 0.00028 -0.00021 -0.00005 0.00069 -0.00002 -0.00001 0.00009 -0.00011 -0.00001 -0.00001 0.00002 -0.00002 -0.00029 -0.00002 -0.00002 0.00064 0.00020 0.00055 -0.00008 0.00060 0.00067 -0.00000 -0.00000 -0.00003 -0.00007 -0.00003 0.00001 -0.00001 -0.00002 -0.00011 0.00014 0.00007 -0.00007 -0.00009 0.00005 0.00021 -0.00009 0.00008 0.00010 0.00018 0.00001 0.00000 -0.00027 -0.00007 -0.00024 -0.00006 -0.00010 -0.00032 -0.00006 -0.00001 -0.00030 -0.00002 0.00012 0.00033 0.00061 0.00001 -0.00001 -0.00003 0.00017 -0.00007 -0.00028 -0.00031 -0.00067 -0.00002 -0.00033 0.00023 -0.00059 0.00041 -0.00015 0.00008 0.00018 0.00001 0.00016 0.00014 0.00039 -0.00036 -0.00009 -0.00017 0.00016 0.00045 0.00017 0.00146 0.00137 0.00125 0.00019 0.00006 0.00032 0.00020 0.00043 0.00030 -0.00704 -0.00035 -0.00023 -0.00042 -0.00030 -0.00012 -0.00033 -0.00000 -0.00022 0.00081 0.00071 0.00040 0.00062 -0.00088 -0.00050 -0.00038 -0.00041 -0.00008 0.00024 0.00027 -0.00010 0.00003 0.00006 -0.00030 0.00038 0.00089 0.00053 -0.00030 -0.00104 -0.00083 -0.00046 0.00018 -0.00041 0.00023 -0.00013 0.00050 0.00109 0.00120 0.00118 -0.00113 -0.00128 0.00012 0.00041 0.00058 0.00007 0.00036 0.00054 0.00621 0.00521 2.63339 2.67421 2.64342 2.84023 3.40832 1.92612 1.96082 2.95418 2.81822 1.81825 1.81722 1.85207 1.84519 3.40341 1.84184 1.84754 3.66483 3.53571 3.47483 1.87402 3.60643 3.19709 1.83534 1.83227 1.84091 3.17492 1.84107 1.81868 1.81782 1.88107 1.91338 1.96744 1.87784 1.90660 1.91539 1.88244 2.06362 2.00538 1.97337 1.84079 1.86215 1.84644 1.89727 2.75570 1.82014 1.95437 1.84282 2.69551 2.74270 2.09175 1.86393 2.22732 1.88330 1.49374 1.86342 2.16269 1.85422 1.77827 1.80799 1.82058 1.91468 2.78981 1.89925 2.05018 1.83717 2.94805 1.66299 2.21913 1.60955 2.11645 1.90996 1.87435 2.92730 3.03144 2.96013 3.01285 2.92325 3.13347 3.22737 3.27447 3.13277 3.25981 -2.40501 -0.27333 1.80765 3.05535 0.94089 0.97451 -1.13994 -1.10087 3.06786 -0.26671 -0.32141 1.67565 -2.47861 -0.48154 -1.86529 0.08621 0.25316 2.20466 -0.12560 -2.10958 0.24304 2.23732 -2.01922 0.05894 -2.07816 0.67831 -1.38399 2.67094 0.50083 -1.33514 -1.70975 2.40332 0.56735 -1.03542 2.86752 0.88012 0.22417 2.66692 -1.42057 -2.54934 1.67869 -0.27582 -2.33097 1.27644 -0.77871 2.84656 0.66840 -1.20582 0.78256 -1.15297 -1.41107 0.22882 2.62358 0.47439 2.11429 -1.77414 -0.58444 1.62746 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000047 0.000010 0.001646 0.000420 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.023639e-07 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 1 1 1 1 4 5 5 6 7 8 9 10 10 11 12 12 13 14 15 16 16 17 18 20 20 20 23 23 26 26 2 3 4 5 24 6 7 12 10 16 18 11 14 18 13 15 26 26 16 17 22 23 19 21 22 28 24 25 27 28 1.3936 1.415 1.3989 1.503 1.8032 1.0193 1.0376 1.5632 1.4914 0.9622 0.9616 0.9801 0.9764 1.8012 0.9747 0.9777 1.939 1.8709 1.8385 0.9917 1.9081 1.6915 0.9712 0.9696 0.9742 1.6801 0.9743 0.9624 0.962 0.9954 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 2 2 2 3 3 4 1 1 1 6 7 7 11 10 6 6 13 12 10 8 8 8 15 15 17 9 9 11 21 21 22 16 17 17 24 4 13 13 13 14 14 27 1 1 1 1 1 1 4 5 5 5 10 10 10 11 12 12 12 13 14 16 16 16 16 16 16 18 18 18 20 20 20 22 23 23 23 24 26 26 26 26 26 26 3 4 5 4 5 5 24 6 7 7 11 14 14 18 13 15 15 26 26 15 17 22 17 22 22 11 19 19 22 28 28 20 24 25 25 23 14 27 28 27 28 28 109.6347 112.7184 107.5878 109.2438 109.7493 107.8527 118.2252 114.905 113.0613 105.4637 106.6831 105.7928 108.7055 157.9055 104.2908 111.9909 105.5894 154.4472 157.1632 119.852 106.7961 127.633 107.906 85.5782 106.7474 123.8779 106.2384 101.8878 103.5918 104.3015 109.7073 159.86 108.8365 117.5051 105.2629 168.9298 95.2693 127.1802 92.1969 121.2723 109.428 107.3819 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A43 A44 A45 A46 A47 A48 A49 A50 A51 5 5 12 16 20 5 5 12 16 6 7 15 17 28 6 7 15 17 12 10 16 23 26 12 10 16 23 14 13 1 1 1 14 13 1 1 -1 -1 -1 -1 -1 -2 -2 -2 -2 167.7215 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 173.6795 169.5952 172.6014 167.5105 179.5396 184.9245 187.6044 179.4692 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 2 3 5 2 2 3 3 4 4 1 1 1 6 6 1 1 7 7 7 14 7 11 10 10 19 6 15 6 6 6 13 13 13 12 12 12 10 10 10 8 8 15 15 22 22 8 15 17 21 28 21 21 21 22 22 22 17 1 1 1 1 1 1 1 1 1 4 5 5 5 5 5 5 5 5 10 10 10 10 11 11 11 12 12 12 12 12 12 12 12 13 13 13 14 14 14 16 16 16 16 16 16 16 16 16 20 20 20 20 20 20 20 20 23 4 4 4 5 5 5 5 5 5 24 10 10 10 10 12 12 12 12 11 11 14 14 18 18 18 13 13 16 16 16 16 16 16 26 26 26 26 26 26 23 23 23 23 23 23 22 22 22 22 22 26 26 26 26 26 26 24 24 24 24 6 7 6 7 6 7 23 11 14 11 14 13 15 13 15 18 18 26 26 9 19 9 26 26 8 17 22 8 17 22 14 27 28 13 27 28 24 25 24 25 24 25 20 20 20 16 16 13 14 27 13 14 27 4 -137.8804 -15.7393 103.4991 175.048 53.9059 55.8168 -65.3253 -63.0997 175.7581 -14.8779 -18.3958 96.0206 -141.9897 -27.5733 -106.8663 4.9586 14.5051 126.33 -7.2429 -120.9108 13.9025 128.1539 -115.6422 3.4056 -119.0478 38.8882 -79.2919 153.02 28.68 -76.4922 -97.9636 137.6964 32.5242 -59.3469 164.246 50.3971 12.8613 152.8631 -81.3451 -146.0404 96.1717 -15.7802 -133.568 73.1424 -44.6454 163.033 38.2277 -69.1557 44.9023 -65.9865 -80.8554 13.0874 150.2871 27.1763 121.119 -101.6813 -33.8422 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 Grimme-D3(BJ) -0.0300379656 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 195.8014096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;23;26;6;7;8;9;11;13;14;15;17;19;21;22;24;25;27;28/rA:28nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.0778,.3511,1.0301;.976,1.1141,2.18;.6181,1.0929,-.0692;2.3823,-.0668,.7937;.2285,-.8774,1.219;.1631,-1.5067,.4144;-.7547,-.6911,1.5198;.968,-1.27,-3.8132;-1.9541,2.3181,3.3831;-2.1693,-.4087,1.7358;-2.2295,.5436,1.9582;-.2266,-2.3417,-.8151;-1.1791,-2.1772,-.907;-2.5922,-.5464,.8675;.1763,-1.9499,-1.6128;.749,-.8686,-2.97;1.5718,-.419,-2.6465;-1.8254,2.2145,2.4379;-.8689,2.191,2.3169;-1.4486,.7606,-2.3135;-1.0152,1.2827,-1.6311;-.7236,.2435,-2.7075;2.8996,.3504,-2.0092;2.9378,.0864,-1.0786;2.7084,1.291,-1.9687;-2.7861,-1.0241,-.9009;-3.6406,-1.2428,-1.2762;-2.3847,-.3196,-1.4727; 0.000000 1.383744 0.000000 1.403581 2.277581 0.000000 1.390119 2.300904 2.280772 0.000000 1.505338 2.334115 2.386011 2.340330 0.000000 2.160342 3.262902 2.683032 2.672526 1.023572 0.000000 2.164190 2.586455 2.755322 3.279915 1.044843 1.652029 0.000000 5.108546 6.449947 4.441064 4.966965 5.101350 4.310030 5.634086 0.000000 4.312533 3.388606 4.476088 5.585485 4.433729 5.284367 3.737120 8.555654 0.000000 3.408569 3.522587 3.644421 4.660638 2.497162 2.896791 1.458597 6.432373 3.192989 0.000000 3.440428 3.263435 3.538483 4.795617 2.933786 3.508733 1.972767 6.842658 2.292423 0.979699 0.000000 3.515322 4.728592 3.614766 3.817067 2.547383 1.536517 2.907793 3.400572 6.505672 3.744082 4.475291 0.000000 3.903564 5.000613 3.824269 4.475458 2.861909 1.999242 2.877088 3.725457 6.262026 3.330519 4.088409 0.970999 0.000000 3.781669 4.148779 3.724377 4.998207 2.861724 2.952798 1.955271 5.925170 3.865383 0.975633 1.584091 3.413328 2.793750 0.000000 3.618320 4.940935 3.440444 3.768806 3.028548 2.075119 3.502020 2.435345 6.907492 4.369214 4.975672 0.975717 1.544932 3.973194 0.000000 4.194813 5.523115 3.504170 4.180387 4.221203 3.493499 4.738177 0.959190 7.604160 5.556266 5.928978 2.786614 3.112213 5.098423 1.827373 0.000000 3.788729 5.099041 3.136527 3.551851 4.117842 3.540722 4.779551 1.565202 7.501946 5.761936 6.048105 3.207012 3.699251 5.450089 2.315132 0.991852 0.000000 3.725961 3.020827 3.676178 5.060940 3.906903 4.679316 3.229889 7.682530 0.959470 2.737207 1.784817 5.822226 5.558164 3.267614 6.144731 6.736372 6.657891 0.000000 2.971624 2.140596 3.018298 4.241258 3.438668 4.284540 2.992507 7.275301 1.526656 2.964285 2.166596 5.546888 5.437884 3.544638 5.803618 6.318979 6.115860 0.964445 0.000000 4.210694 5.118106 3.068956 5.001510 4.239570 3.896091 4.157262 3.494664 5.927216 4.275879 4.347892 3.655570 3.268270 3.624211 3.237045 2.813350 3.259629 4.983132 4.880787 0.000000 3.511469 4.303239 2.267857 4.386750 3.786224 3.654153 3.727162 3.900042 5.205380 3.940644 3.860603 3.797900 3.538607 3.475049 3.445223 3.087510 3.258647 4.252306 4.053778 0.962285 0.000000 4.150469 5.247326 3.079363 4.690557 4.192862 3.687204 4.329455 2.524799 6.550843 4.717846 4.911894 3.242120 3.051027 4.110519 2.611354 1.863903 2.389844 5.619131 5.390587 0.973847 1.524323 0.000000 3.543510 4.672554 3.085489 2.880548 4.366190 4.100164 5.185748 3.100159 7.517101 6.347790 6.487326 4.294923 4.923344 6.264191 3.586817 2.652205 1.661692 6.751107 6.025277 4.378112 4.041949 3.691445 0.000000 2.824264 3.939966 2.722678 1.958929 3.680795 3.530740 4.581513 3.632815 6.986975 5.852162 6.011010 3.997283 4.701253 5.896525 3.472437 3.046300 2.139984 6.291498 5.518094 4.606502 4.166771 4.010444 0.968047 0.000000 3.540535 4.499380 2.831410 3.095252 4.584026 4.470456 5.300091 3.604073 7.171855 6.356384 6.353133 4.810547 5.316756 6.286254 4.128175 3.083097 2.162219 6.389582 5.654474 4.204849 3.738822 3.663567 0.960662 1.515235 0.000000 4.533105 5.311940 4.094091 5.522705 3.688190 3.264978 3.177570 4.757630 5.496816 2.776921 3.307825 2.880022 1.977857 1.841973 3.184240 4.099025 4.733298 4.749664 4.936251 2.639983 2.998429 3.020646 5.953521 5.833272 6.057133 0.000000 5.488376 6.229988 5.004852 6.476333 4.618325 4.170773 4.055870 5.260860 6.101870 3.454338 3.955157 3.616058 2.658637 2.485787 3.896397 4.719923 5.452102 5.389102 5.690634 3.145565 3.660178 3.573027 6.771255 6.714219 6.870901 0.958587 0.000000 4.324643 5.166411 3.603004 5.284409 3.792746 3.385470 3.427797 4.197861 5.542673 3.216934 3.541194 3.029711 2.285651 2.360284 3.039141 3.516178 4.128142 4.693333 4.791815 1.658334 2.113755 2.145007 5.353570 5.352471 5.364662 0.992173 1.571053 0.000000 BF3H16O8 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 195.8014096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;23;26;6;7;8;9;11;13;14;15;17;19;21;22;24;25;27;28/rA:28nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4063,-1.5142,-.2878;-1.6002,-2.1641,-.029;.06,-.9012,.8856;.5656,-2.3804,-.7752;-.6698,-.4764,-1.346;.1209,.1249,-1.5927;-1.4683,.1663,-1.1433;3.9246,1.1596,.1503;-4.4025,-.5898,1.0441;-2.4439,1.1783,-.754;-2.9089,.8248,.0326;1.1474,1.2473,-1.8102;.6912,2.0377,-1.4786;-1.9145,1.9487,-.4747;1.9016,1.1174,-1.2049;3.0171,.8566,.2188;3.0549,-.1223,.374;-3.5369,-.2642,1.2996;-2.942,-1.0136,1.1785;.9237,1.905,1.7787;.4497,1.0794,1.9192;1.7539,1.6277,1.3518;3.01,-1.7652,.6191;2.3392,-2.106,.01;2.6297,-1.9271,1.4863;-.4422,3.0177,-.1875;-.5151,3.9702,-.108;.0438,2.6915,.6137; 0.6146725 0.5069878 0.3671628 -24.64931 -24.64734 -24.64500 -19.16200 -19.15974 -19.15605 -19.15449 -19.15342 -19.14510 -19.14269 -19.13984 -6.86473 -1.20899 -1.16366 -1.16180 -1.06843 -1.05854 -1.04961 -1.04831 -1.04102 -1.03334 -1.03030 -1.02085 -0.59548 -0.58175 -0.57620 -0.57222 -0.56604 -0.56270 -0.55805 -0.55638 -0.55391 -0.53581 -0.51060 -0.50060 -0.46751 -0.44658 -0.44390 -0.43614 -0.42965 -0.41812 -0.41271 -0.41135 -0.40575 -0.40291 -0.38787 -0.38649 -0.37454 -0.37041 -0.35824 -0.35261 -0.34994 -0.34800 -0.34266 -0.33849 -0.33472 -0.02187 -0.00053 0.01024 0.02862 0.03620 0.05812 0.06128 0.07753 0.08177 0.08485 0.09947 0.11498 0.12084 0.12247 0.12905 0.13260 0.13586 0.14424 0.15114 0.15878 0.16424 0.16986 0.17174 0.18250 0.18547 0.19365 0.19708 0.20098 0.20789 0.20978 0.21488 0.21812 0.22550 0.23170 0.23547 0.24431 0.24844 0.25309 0.25841 0.26420 0.26594 0.27869 0.28228 0.28469 0.28980 0.29496 0.30106 0.30773 0.31720 0.32383 0.32523 0.33580 0.34583 0.36766 0.37633 0.38147 0.38717 0.39913 0.41000 0.43001 0.43361 0.44091 0.44728 0.45241 0.47318 0.48209 0.49052 0.50307 0.51631 0.52377 0.52742 0.53816 0.54074 0.55023 0.56276 0.56540 0.58059 0.58443 0.58817 0.60047 0.61145 0.63266 0.64328 0.64655 0.65492 0.67947 0.69156 0.78889 0.90953 0.92150 0.93113 0.93849 0.94669 0.95776 0.96632 0.97489 0.99093 0.99492 1.00284 1.00822 1.02504 1.03440 1.03957 1.04625 1.04769 1.05271 1.05763 1.06509 1.07472 1.08773 1.09277 1.12916 1.13878 1.16234 1.19725 1.22751 1.23479 1.25726 1.26011 1.27382 1.28676 1.29299 1.29813 1.31361 1.32010 1.33583 1.33900 1.35736 1.36136 1.37547 1.38617 1.39408 1.39708 1.40713 1.41708 1.43439 1.44695 1.46802 1.47582 1.47936 1.48554 1.49445 1.51048 1.52321 1.53599 1.54505 1.56066 1.56717 1.57334 1.60040 1.60671 1.63965 1.66063 1.66247 1.68066 1.68665 1.69662 1.72200 1.72775 1.73694 1.76447 1.77897 1.81010 1.84368 1.85958 1.97448 1.98601 1.99567 2.01225 2.02443 2.03241 2.05035 2.08387 2.11258 2.15202 2.17435 2.18963 2.20514 2.24020 2.26988 2.28553 2.30670 2.34665 2.36621 2.37766 2.40508 2.41629 2.42650 2.49662 2.53104 2.56657 2.60549 2.63817 2.64183 2.66019 2.66974 2.68500 2.71496 2.73604 2.75098 2.81683 2.84133 2.87250 2.90349 3.04945 3.05920 3.07832 3.09100 3.09739 3.10577 3.10736 3.12064 3.12865 3.13631 3.14882 3.16923 3.18260 3.18859 3.23428 3.28436 3.29783 3.30407 3.30526 3.31231 3.32588 3.33934 3.34948 3.46347 3.61500 3.64361 3.64410 3.66951 3.69370 3.72689 3.74640 3.77632 3.79792 3.80467 3.81356 3.81849 3.82766 3.83933 3.86805 3.87574 3.88363 3.89071 3.90416 3.90948 3.92051 3.92283 3.93017 3.96887 3.98089 4.10124 4.26491 4.27945 4.40450 4.65337 4.66479 4.97218 4.97556 4.98295 4.99328 4.99668 5.00290 5.03585 5.10181 5.32664 5.37321 5.38146 5.38641 5.40086 5.43987 5.46415 5.57080 5.59272 5.60639 5.63921 5.65614 5.66362 5.67236 5.70841 5.77254 6.33274 6.34364 6.38149 6.41592 6.43119 6.46428 6.48656 6.61413 6.64204 14.58190 49.85541 49.88315 49.88649 49.89604 49.90417 49.91457 49.93153 49.97176 66.83360 66.84147 66.86291 1-A. 1.0464 3.4256 2.0352 4.1197 -58.5658 -71.0856 -83.3462 4.3300 0.3146 -5.5144 12.4334 -0.0864 -12.3470 4.3300 0.3146 -5.5144 -17.9777 63.6035 9.7821 -2.8235 2.2346 15.6837 8.2398 -22.0751 5.4836 -3.2726 -1307.9246 -1098.7100 -605.8330 226.9443 -46.6585 -33.4342 -43.2510 34.4412 -25.3983 -513.4273 -421.3583 -334.2972 -12.4211 -9.1667 -22.1232 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 195.8014096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;23;26;6;7;8;9;11;13;14;15;17;19;21;22;24;25;27;28/rA:28nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9697,.4369,1.0026;.8646,1.1874,2.1721;.3964,1.1527,-.075;2.293,.1106,.6871;.2173,-.8464,1.2173;.1551,-1.4497,.3981;-.762,-.6967,1.5256;1.0442,-1.3874,-3.8937;-1.942,2.4881,3.4568;-2.2129,-.4504,1.768;-2.295,.4812,2.0612;-.2644,-2.2919,-.8503;-1.2198,-2.1236,-.944;-2.6473,-.5445,.8985;.1435,-1.9555,-1.6727;.8091,-.9573,-3.0658;1.6226,-.4898,-2.7446;-1.7598,2.1183,2.5879;-.7937,2.044,2.5215;-1.3321,.7248,-2.2495;-.8265,1.133,-1.5298;-.6627,.2118,-2.7371;2.9131,.3116,-2.0006;2.8152,.2361,-1.0342;3.0099,1.2535,-2.1727;-2.8142,-1.0209,-.903;-3.6719,-1.2244,-1.2882;-2.3915,-.3214,-1.471; 0.000000 1.393577 0.000000 1.414986 2.295527 0.000000 1.398944 2.324851 2.294354 0.000000 1.503014 2.338146 2.387155 2.346340 0.000000 2.142017 3.256481 2.656067 2.662469 1.019269 0.000000 2.134837 2.571656 2.706308 3.269250 1.037625 1.636936 0.000000 5.225651 6.592112 4.631989 4.978755 5.205665 4.383401 5.754077 0.000000 4.325301 3.349428 4.441163 5.590881 4.560314 5.409166 3.906906 8.829878 0.000000 3.391454 3.509445 3.574159 4.667518 2.523077 2.912461 1.491397 6.598625 3.399987 0.000000 3.432332 3.239409 3.501079 4.803634 2.964173 3.535110 2.005991 7.078364 2.469799 0.980059 0.000000 3.521690 4.744960 3.592102 3.830905 2.568334 1.563236 2.904738 3.434087 6.649287 3.747417 4.504439 0.000000 3.890981 5.001782 3.755290 4.471312 2.892755 2.036149 2.888791 3.790627 6.415323 3.337799 4.119752 0.974675 0.000000 3.749179 4.117530 3.618284 4.987974 2.898019 2.987133 1.992582 6.107679 4.029672 0.976445 1.589897 3.433656 2.815383 0.000000 3.682841 5.017985 3.504013 3.802365 3.096389 2.131712 3.554468 2.463118 7.099743 4.433561 5.081919 0.977688 1.555007 4.048576 0.000000 4.303611 5.660206 3.683443 4.174561 4.325180 3.559304 4.859796 0.962182 7.872906 5.723165 6.163642 2.800324 3.158930 5.275683 1.838505 0.000000 3.914848 5.249852 3.365789 3.547760 4.218788 3.598782 4.895300 1.568693 7.747937 5.922462 6.275803 3.224332 3.740433 5.613115 2.341965 0.991729 0.000000 3.576442 2.815467 3.559845 4.906043 3.818036 4.603595 3.169886 7.884490 0.961637 2.734211 1.801158 5.788591 5.546237 3.275995 6.194529 6.929898 6.832195 0.000000 2.828370 1.898877 2.992032 4.078081 3.328314 4.197033 2.916161 7.503875 1.546077 2.967119 2.215435 5.518080 5.436988 3.573489 5.870788 6.541769 6.323800 0.971222 0.000000 3.994606 4.958750 2.810558 4.705548 4.109474 3.734936 4.073950 3.579371 6.003539 4.277504 4.423640 3.492573 3.135371 3.640201 3.113563 2.842603 3.232728 5.052290 4.979206 0.000000 3.181818 4.070213 1.900657 3.961265 3.543200 3.369089 3.561986 3.929412 5.286463 3.912137 3.934063 3.536606 3.332223 3.467888 3.240437 3.066547 3.179197 4.335671 4.152634 0.969599 0.000000 4.086666 5.233035 3.015690 4.524628 4.187064 3.641261 4.359613 2.609369 6.721794 4.810139 5.075508 3.160203 2.996605 4.210519 2.545605 1.908123 2.390612 5.761518 5.570244 0.974188 1.527454 0.000000 3.579361 4.730244 3.278711 2.765718 4.354686 4.057433 5.192116 3.156443 7.621837 6.407730 6.606948 4.265881 4.912041 6.328986 3.594145 2.677970 1.691475 6.793815 6.098519 4.272512 3.857624 3.652280 0.000000 2.755870 3.871760 2.758867 1.803241 3.604193 3.459731 4.496645 3.734813 6.918916 5.797018 5.979634 3.988524 4.675272 5.846676 3.514064 3.094490 2.207813 6.131398 5.379259 4.349209 3.783148 3.872535 0.974272 0.000000 3.861535 4.845999 3.352800 3.162094 4.868268 4.697471 5.631022 3.714901 7.598419 6.760892 6.831125 5.003944 5.550285 6.683482 4.331745 3.244835 2.300195 6.794251 6.093273 4.374732 3.891776 3.859050 0.962400 1.539183 0.000000 4.480470 5.278835 3.964675 5.467428 3.703540 3.270081 3.196042 4.895620 5.664027 2.796613 3.363345 2.849535 1.939010 1.870912 3.196009 4.220262 4.833157 4.811777 5.020294 2.656649 2.997286 3.084291 5.981927 5.769602 6.380159 0.000000 5.436173 6.194327 4.865553 6.423713 4.641797 4.188079 4.082088 5.390453 6.268187 3.473937 4.002931 3.597534 2.634302 2.508822 3.903808 4.828063 5.540049 5.463940 5.786228 3.193475 3.702977 3.635501 6.799199 6.654320 7.181146 0.961958 0.000000 4.241587 5.113717 3.448777 5.175759 3.782640 3.354339 3.431588 4.337056 5.690180 3.246493 3.623524 2.965243 2.213284 2.393769 3.022808 3.631978 4.214626 4.777689 4.907960 1.680131 2.137240 2.208113 5.368409 5.254624 5.669881 0.995433 1.577458 0.000000 BF3H16O8 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 195.8014096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;23;26;6;7;8;9;11;13;14;15;17;19;21;22;24;25;27;28/rA:28nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4901,-1.4313,-.275;-1.715,-2.0607,-.0615;-.0653,-.8004,.9181;.5036,-2.3157,-.708;-.6904,-.4009,-1.3508;.1223,.1839,-1.5417;-1.4635,.2591,-1.1426;4.1065,1.0291,.0787;-4.4977,-.6419,1.1478;-2.437,1.3089,-.7251;-2.9707,.9248,.0016;1.182,1.3225,-1.6974;.7499,2.1075,-1.3139;-1.9003,2.0414,-.366;1.974,1.1632,-1.1467;3.1883,.7573,.1727;3.1916,-.2273,.2916;-3.5875,-.3319,1.1351;-3.0422,-1.0999,.8982;1.0164,1.6477,1.7761;.5546,.7958,1.7431;1.8852,1.4526,1.3809;2.9861,-1.8998,.4381;2.1552,-2.1544,-.0025;2.9235,-2.2638,1.3268;-.3559,3.04,-.0227;-.3983,3.9891,.1285;.1344,2.6382,.7448; 0.6443707 0.4990628 0.3623482 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 372 372 372 372 372 MxSgAt= 28 MxSgA2= 28. 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. One-electron integral symmetry used in STVInt NBasis= 360 RedAO= T EigKep= 1.57D-04 NBF= 360 NBsUse= 360 1.00D-06 EigRej= -1.00D+00 NBFU= 360 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 372 371 372 372 372 MxSgAt= 28 MxSgA2= 28. 1 4.11686883e-01 1.34775051e+00 8.00710822e-01 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 5 9 9 9 8 1 1 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 0.000335009 -0.003703612 0.003459032 -0.004577746 0.004657066 0.006311506 -0.005607665 0.003159632 -0.008658987 0.006242832 -0.002889880 -0.004816211 -0.001436037 -0.002415659 0.000322174 0.001099469 0.002923855 0.002661127 0.004333062 0.000117214 -0.001412339 0.000871807 -0.001301807 -0.003068871 -0.000607824 0.001748840 0.003542817 -0.001305402 -0.000528063 0.001437262 -0.001254514 0.001298949 0.000079683 0.000793275 -0.001868767 0.000528146 -0.003027672 0.000325474 -0.000511972 -0.001363074 -0.000338391 -0.001441142 0.000406271 0.000461571 -0.002362220 -0.003364879 -0.000488096 0.001848800 0.002135084 0.000702182 -0.000508801 -0.002688488 -0.002127131 -0.002375549 0.006341976 -0.000228208 -0.000494992 -0.002445528 -0.000629953 -0.000614707 0.003210449 0.002758113 0.003252601 0.002757210 -0.001022174 -0.001115697 -0.000148103 -0.001638080 -0.001899644 0.000391181 -0.000899842 0.005365328 0.000094223 0.003567062 0.000099764 0.002305837 -0.002311269 0.003488644 -0.003160251 -0.000789920 -0.001197162 -0.000330500 0.001460894 -0.001918588 0.008658987 0.002701156 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -936.515248701849 -936.515249188063 -0.000000486214 -936.515249179880 0.000000008182 -936.515249201088 -0.000000021208 -936.515249201309 -0.000000000221 -936.515249201334 -0.000000000025 -936.515249201 6 9.336484942626e+02 -4.126107592901e+03 1.303415632805e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1415293450 LenY= 1415154625 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. Fock matrices will be formed incrementally for 20 cycles. (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT20963.500S Fri May 5 10:33:36 2023 Mulliken charges: 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 B F F F O H H H H O H O H H H O H O H O H H O H H O H H 0.911288 -0.370936 -0.420122 -0.393663 -0.832964 0.492765 0.518002 0.307234 0.267115 -0.722461 0.397015 -0.627815 0.317951 0.384448 0.370257 -0.804533 0.449014 -0.570593 0.303237 -0.561157 0.267903 0.348655 -0.535658 0.295909 0.253157 -0.764050 0.315354 0.404650 -0.00000 -24.65813 -24.65544 -24.65519 -19.17188 -19.15692 -19.15134 -19.15127 -19.14476 -19.13984 -19.13713 -19.13464 -6.87696 -1.21509 -1.17346 -1.16822 -1.07483 -1.05193 -1.04357 -1.03764 -1.03498 -1.02730 -1.02236 -1.01719 -0.60413 -0.58766 -0.57403 -0.56905 -0.56439 -0.56108 -0.55518 -0.55094 -0.54972 -0.53298 -0.51342 -0.50733 -0.46289 -0.44716 -0.44163 -0.43709 -0.42920 -0.41877 -0.41293 -0.40858 -0.40670 -0.40363 -0.39067 -0.38706 -0.38207 -0.37509 -0.35457 -0.35008 -0.34580 -0.33994 -0.33872 -0.33490 -0.33048 -0.01777 0.00215 0.01251 0.02937 0.04037 0.05965 0.06414 0.07826 0.08765 0.08818 0.10105 0.11406 0.12279 0.12796 0.13000 0.13867 0.14334 0.14728 0.15220 0.16102 0.16742 0.17193 0.17519 0.18704 0.19144 0.19532 0.19705 0.19827 0.21210 0.21440 0.21843 0.22661 0.23069 0.23347 0.23833 0.24369 0.24852 0.25180 0.25868 0.26201 0.26409 0.27458 0.28066 0.28342 0.29085 0.29562 0.29814 0.30496 0.31142 0.31672 0.32897 0.33510 0.34218 0.35215 0.36404 0.38020 0.38747 0.39323 0.41097 0.43222 0.43596 0.44774 0.45369 0.46827 0.47632 0.48221 0.49330 0.49905 0.52121 0.52549 0.53035 0.54063 0.54097 0.55369 0.56351 0.56963 0.58333 0.58835 0.59394 0.60162 0.61315 0.63383 0.64431 0.64847 0.65428 0.67064 0.69649 0.78776 0.91283 0.92427 0.93798 0.94132 0.95493 0.95973 0.96601 0.97588 0.99192 1.00374 1.01121 1.01362 1.02919 1.03729 1.03931 1.04161 1.04723 1.05911 1.06387 1.07075 1.08465 1.09296 1.11244 1.12154 1.14387 1.16131 1.20507 1.23452 1.24956 1.25146 1.26888 1.27288 1.28132 1.30112 1.31056 1.31913 1.32568 1.32952 1.33877 1.34982 1.36795 1.37946 1.38082 1.39397 1.39801 1.40338 1.41781 1.43131 1.44250 1.45396 1.46313 1.47203 1.48745 1.49154 1.50752 1.51950 1.53511 1.54541 1.55331 1.56225 1.57626 1.59679 1.60402 1.64179 1.65665 1.66042 1.68082 1.68888 1.69909 1.70860 1.73478 1.73784 1.77286 1.78030 1.81415 1.83868 1.85839 1.94225 1.98654 2.00907 2.01622 2.02273 2.02867 2.06794 2.12361 2.16256 2.18061 2.18767 2.21604 2.22780 2.24196 2.26578 2.29862 2.32002 2.34675 2.35775 2.37798 2.39738 2.42006 2.43483 2.47936 2.50160 2.51225 2.52213 2.63195 2.63523 2.65825 2.67766 2.68747 2.70073 2.71584 2.73838 2.80842 2.83755 2.85663 2.89585 3.05683 3.06658 3.09307 3.10172 3.11166 3.11378 3.11490 3.12443 3.13364 3.14886 3.16131 3.16983 3.17854 3.19812 3.22629 3.28289 3.29068 3.29642 3.30324 3.30735 3.31542 3.34179 3.35576 3.44214 3.62652 3.65727 3.66637 3.68082 3.70666 3.71254 3.73473 3.77052 3.79005 3.79552 3.81161 3.81779 3.82573 3.83455 3.86821 3.87665 3.89176 3.89494 3.89916 3.90519 3.91863 3.92037 3.92912 3.95766 3.97064 4.08193 4.23834 4.25563 4.39013 4.65340 4.66459 4.96169 4.97721 4.98322 4.98372 4.99319 5.00277 5.05196 5.10167 5.32548 5.36579 5.37327 5.38110 5.40542 5.43903 5.45858 5.54707 5.62150 5.62324 5.63644 5.64779 5.65444 5.66966 5.70543 5.73798 6.33105 6.33921 6.39050 6.41591 6.44395 6.48065 6.48789 6.65911 6.67835 14.56292 49.86102 49.86743 49.88340 49.89381 49.89632 49.92261 49.93456 49.97094 66.82187 66.83287 66.85514 1-A. Mulliken charges: 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 B F F F O H H H H O H O H H H O H O H O H H O H H O H H 0.929941 -0.368435 -0.418463 -0.374028 -0.818448 0.497605 0.504028 0.305968 0.279119 -0.698730 0.389933 -0.628899 0.311638 0.373739 0.368102 -0.776886 0.433212 -0.598950 0.301577 -0.566771 0.274622 0.333761 -0.596492 0.313756 0.267521 -0.748376 0.316081 0.393873 -0.00000 5.68363959e-01 1.00633730e+00 8.43237596e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.4446 2.5579 2.1433 3.6364 -55.0124 -67.9425 -83.9345 3.3843 0.3650 -4.9758 13.9507 1.0206 -14.9713 3.3843 0.3650 -4.9758 -8.7465 57.7254 5.2582 2.1909 -5.7205 30.7341 4.8777 -22.8307 17.1026 -9.9952 -1257.8929 -1033.7896 -565.8094 207.6091 -59.3606 -32.2608 -23.6273 19.9981 -21.3578 -507.3589 -402.4119 -311.9803 -37.6871 6.3611 -25.7729 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -936.5152492 6.849E-9 2.057E-5 -0.8829869,-5.178115,6.0611018,3.684287,-5.1387928,7.9980528 C01 [X(B1F3H16O8)] -0.750726 0.2275874 -1.1964182 0.000033217 -0.000006332 -0.000015256 -0.000000754 0.000012640 -0.000000040 0.000006913 -0.000007185 0.000011250 -0.000053111 -0.000014625 -0.000002673 0.000000485 0.000017804 0.000029538 -0.000012985 -0.000030603 -0.000051665 -0.000014097 -0.000001144 0.000006094 -0.000002740 0.000001882 0.000002568 0.000007264 0.000010741 -0.000006636 0.000015253 -0.000023087 -0.000020012 -0.000003535 0.000020201 0.000023566 0.000002308 0.000015001 0.000012608 0.000024251 -0.000014188 0.000005693 -0.000013881 0.000018282 -0.000002748 -0.000002520 -0.000007763 0.000011991 0.000028928 0.000034894 0.000007269 -0.000069285 -0.000032876 -0.000022348 -0.000002998 -0.000036486 -0.000004973 0.000006159 0.000010634 0.000001551 0.000034573 0.000014937 0.000020233 -0.000005434 -0.000002855 -0.000012982 -0.000021820 -0.000017066 -0.000019018 0.000053444 -0.000009783 0.000020970 0.000024763 0.000037403 0.000008261 -0.000017407 -0.000001426 -0.000007517 -0.000006601 0.000033958 -0.000011014 0.000008300 -0.000010825 0.000000821 -0.000018693 -0.000012131 0.000014470 195.8014096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;23;26;6;7;8;9;11;13;14;15;17;19;21;22;24;25;27;28/rA:28nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9697,.4369,1.0026;.8646,1.1874,2.1721;.3964,1.1528,-.075;2.293,.1106,.6871;.2173,-.8464,1.2173;.1551,-1.4497,.3981;-.762,-.6967,1.5256;1.0442,-1.3874,-3.8937;-1.942,2.4881,3.4568;-2.2129,-.4504,1.768;-2.295,.4812,2.0612;-.2644,-2.2919,-.8503;-1.2198,-2.1236,-.944;-2.6473,-.5445,.8985;.1435,-1.9555,-1.6727;.8091,-.9573,-3.0658;1.6226,-.4898,-2.7446;-1.7598,2.1183,2.5879;-.7937,2.044,2.5215;-1.3321,.7248,-2.2495;-.8265,1.133,-1.5298;-.6627,.2118,-2.7371;2.9131,.3116,-2.0006;2.8152,.2361,-1.0342;3.0099,1.2535,-2.1727;-2.8142,-1.0209,-.903;-3.6719,-1.2244,-1.2882;-2.3915,-.3214,-1.471; Gaussian 16 GINC-CIBELES2-141 LAMSABHI Optimization 8h2O-BF3/ CONF4 gas EM64L-G16RevC.01 78 C1[X(BF3H16O8)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 195.8014096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;23;26;6;7;8;9;11;13;14;15;17;19;21;22;24;25;27;28/rA:28nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9697,.4369,1.0026;.8646,1.1874,2.1721;.3964,1.1527,-.075;2.293,.1106,.6871;.2173,-.8464,1.2173;.1551,-1.4497,.3981;-.762,-.6967,1.5256;1.0442,-1.3874,-3.8937;-1.942,2.4881,3.4568;-2.2129,-.4504,1.768;-2.295,.4812,2.0612;-.2644,-2.2919,-.8503;-1.2198,-2.1236,-.944;-2.6473,-.5445,.8985;.1435,-1.9555,-1.6727;.8091,-.9573,-3.0658;1.6226,-.4898,-2.7446;-1.7598,2.1183,2.5879;-.7937,2.044,2.5215;-1.3321,.7248,-2.2495;-.8265,1.133,-1.5298;-.6627,.2118,-2.7371;2.9131,.3116,-2.0006;2.8152,.2361,-1.0342;3.0099,1.2535,-2.1727;-2.8142,-1.0209,-.903;-3.6719,-1.2244,-1.2882;-2.3915,-.3214,-1.471; Optimization 8h2O-BF3/ CONF4 gas Redundant internal coordinates found in file. (old form). 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 11 19 19 19 16 1 1 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 3 1 1 1 0 1 1 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/8H2O/8h2O-BF3/gas/CONF4/opt-b3lyp.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 1 1 1 1 4 5 5 6 7 8 9 10 10 11 12 12 13 14 15 16 16 17 18 20 20 20 23 23 26 26 2 3 4 5 24 6 7 12 10 16 18 11 14 18 13 15 26 26 16 17 22 23 19 21 22 28 24 25 27 28 1.3936 1.415 1.3989 1.503 1.8032 1.0193 1.0376 1.5632 1.4914 0.9622 0.9616 0.9801 0.9764 1.8012 0.9747 0.9777 1.939 1.8709 1.8385 0.9917 1.9081 1.6915 0.9712 0.9696 0.9742 1.6801 0.9743 0.9624 0.962 0.9954 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 2 2 2 3 3 4 1 1 1 6 7 7 11 10 6 6 13 12 10 8 8 8 15 15 17 9 9 11 21 21 22 16 17 17 24 4 13 13 13 14 14 27 1 1 1 1 1 1 4 5 5 5 10 10 10 11 12 12 12 13 14 16 16 16 16 16 16 18 18 18 20 20 20 22 23 23 23 24 26 26 26 26 26 26 3 4 5 4 5 5 24 6 7 7 11 14 14 18 13 15 15 26 26 15 17 22 17 22 22 11 19 19 22 28 28 20 24 25 25 23 14 27 28 27 28 28 109.6347 112.7184 107.5878 109.2438 109.7493 107.8527 118.2252 114.905 113.0613 105.4637 106.6831 105.7928 108.7055 157.9055 104.2908 111.9909 105.5894 154.4472 157.1632 119.852 106.7961 127.633 107.906 85.5782 106.7474 123.8779 106.2384 101.8878 103.5918 104.3015 109.7073 159.86 108.8365 117.5051 105.2629 168.9298 95.2693 127.1802 92.1969 121.2723 109.428 107.3819 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 5 5 12 16 20 5 5 12 16 20 6 7 15 17 28 6 7 15 17 28 12 10 16 23 26 12 10 16 23 26 14 13 1 1 1 14 13 1 1 1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 167.7215 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 173.6795 169.5952 172.6014 167.5105 179.5396 184.9245 187.6044 179.4692 186.7637 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 2 3 5 2 2 3 3 4 4 1 1 1 6 6 1 1 7 7 7 14 7 11 10 10 19 6 15 6 6 6 13 13 13 12 12 12 10 10 10 8 8 15 15 22 22 8 15 17 21 28 21 21 21 22 22 22 17 25 1 1 1 1 1 1 1 1 1 4 5 5 5 5 5 5 5 5 10 10 10 10 11 11 11 12 12 12 12 12 12 12 12 13 13 13 14 14 14 16 16 16 16 16 16 16 16 16 20 20 20 20 20 20 20 20 23 23 4 4 4 5 5 5 5 5 5 24 10 10 10 10 12 12 12 12 11 11 14 14 18 18 18 13 13 16 16 16 16 16 16 26 26 26 26 26 26 23 23 23 23 23 23 22 22 22 22 22 26 26 26 26 26 26 24 24 24 24 24 6 7 6 7 6 7 23 11 14 11 14 13 15 13 15 18 18 26 26 9 19 9 26 26 8 17 22 8 17 22 14 27 28 13 27 28 24 25 24 25 24 25 20 20 20 16 16 13 14 27 13 14 27 4 4 -137.8804 -15.7393 103.4991 175.048 53.9059 55.8168 -65.3253 -63.0997 175.7581 -14.8779 -18.3958 96.0206 -141.9897 -27.5733 -106.8663 4.9586 14.5051 126.33 -7.2429 -120.9108 13.9025 128.1539 -115.6422 3.4056 -119.0478 38.8882 -79.2919 153.02 28.68 -76.4922 -97.9636 137.6964 32.5242 -59.3469 164.246 50.3971 12.8613 152.8631 -81.3451 -146.0404 96.1717 -15.7802 -133.568 73.1424 -44.6454 163.033 38.2277 -69.1557 44.9023 -65.9865 -80.8554 13.0874 150.2871 27.1763 121.119 -101.6813 -33.8422 92.9482 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00011 0.00049 0.00052 0.00066 0.00090 0.00102 0.00236 0.00275 0.00316 0.00407 0.00467 0.00486 0.00512 0.00627 0.00690 0.00778 0.00838 0.00884 0.00927 0.01013 0.01132 0.01186 0.01235 0.01272 0.01363 0.01414 0.01617 0.01634 0.01835 0.01968 0.02068 0.02118 0.02232 0.02266 0.02450 0.02542 0.02557 0.02776 0.03103 0.03277 0.03635 0.04273 0.04569 0.04986 0.05464 0.05686 0.05846 0.06134 0.06582 0.07266 0.07616 0.09015 0.10056 0.10845 0.13191 0.15433 0.18082 0.25311 0.26230 0.26296 0.29052 0.32503 0.39276 0.40249 0.43214 0.43606 0.45924 0.46793 0.47763 0.48302 0.49175 0.49751 0.50900 0.53922 0.53981 0.54034 0.54153 0.60235 Angle between quadratic step and forces= 77.19 degrees. 1 2 3 0.00240508 0.00001746 0.00000000 0.00004170 0.00000506 0.00000506 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 2.63348 2.67394 2.64362 2.84029 3.40763 1.92614 1.96083 2.95409 2.81833 1.81826 1.81723 1.85204 1.84521 3.40370 1.84187 1.84756 3.66420 3.53551 3.47427 1.87410 3.60583 3.19642 1.83534 1.83228 1.84095 3.17499 1.84111 1.81867 1.81784 1.88110 1.91349 1.96731 1.87776 1.90666 1.91549 1.88239 2.06342 2.00547 1.97329 1.84069 1.86197 1.84643 1.89727 2.75597 1.82022 1.95461 1.84288 2.69561 2.74302 2.09181 1.86394 2.22762 1.88332 1.49362 1.86309 2.16208 1.85421 1.77828 1.80802 1.82040 1.91475 2.79008 1.89956 2.05085 1.83718 2.94838 1.66276 2.21971 1.60914 2.11660 1.90988 1.87417 2.92729 3.03128 2.96000 3.01246 2.92361 3.13356 3.22754 3.27431 3.13233 3.25964 -2.40647 -0.27470 1.80640 3.05516 0.94083 0.97419 -1.14014 -1.10130 3.06756 -0.25967 -0.32107 1.67588 -2.47819 -0.48125 -1.86517 0.08654 0.25316 2.20487 -0.12641 -2.11029 0.24264 2.23671 -2.01834 0.05944 -2.07778 0.67873 -1.38390 2.67070 0.50056 -1.33504 -1.70979 2.40326 0.56765 -1.03580 2.86663 0.87959 0.22447 2.66796 -1.41974 -2.54889 1.67851 -0.27542 -2.33120 1.27658 -0.77921 2.84546 0.66720 -1.20699 0.78369 -1.15168 -1.41119 0.22842 2.62300 0.47432 2.11393 -1.77467 -0.59066 1.62225 0.00001 -0.00001 -0.00004 0.00001 0.00000 0.00003 -0.00000 -0.00003 -0.00002 -0.00000 -0.00000 0.00001 0.00000 -0.00002 -0.00001 -0.00001 0.00002 -0.00000 0.00001 -0.00003 -0.00001 0.00005 0.00000 -0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00002 -0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00002 -0.00000 0.00000 -0.00000 -0.00002 0.00001 0.00000 -0.00003 -0.00000 -0.00000 0.00000 -0.00000 -0.00002 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00002 -0.00001 0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00002 0.00001 -0.00003 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00002 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00010 0.00011 -0.00018 -0.00017 0.00096 0.00033 0.00002 -0.00148 -0.00014 0.00001 -0.00003 0.00003 -0.00004 -0.00090 -0.00005 -0.00001 0.00158 0.00070 0.00056 -0.00020 0.00027 0.00230 0.00001 -0.00002 -0.00003 0.00072 -0.00002 0.00002 -0.00001 -0.00013 -0.00020 0.00006 0.00021 -0.00006 0.00006 -0.00005 0.00022 -0.00045 0.00049 0.00017 -0.00024 0.00026 0.00000 -0.00058 -0.00040 -0.00063 0.00006 -0.00005 -0.00124 -0.00057 -0.00024 -0.00035 0.00067 0.00039 0.00041 0.00340 0.00019 0.00123 -0.00005 -0.00011 -0.00027 -0.00145 -0.00094 -0.00288 -0.00007 -0.00256 0.00073 -0.00160 0.00042 0.00048 -0.00006 0.00007 0.00066 0.00015 0.00052 0.00173 -0.00059 -0.00058 -0.00034 0.00027 0.00087 0.00020 0.00652 0.00626 0.00626 0.00064 0.00036 0.00072 0.00045 0.00080 0.00052 -0.02464 -0.00119 -0.00108 -0.00113 -0.00102 -0.00087 -0.00126 -0.00022 -0.00061 0.00570 0.00552 0.00246 0.00232 -0.00964 -0.00620 -0.00343 -0.00069 0.00018 -0.00068 -0.00057 -0.00106 -0.00131 -0.00120 -0.00169 0.00132 0.00120 0.00136 -0.00261 -0.00377 -0.00332 0.00141 0.00375 0.00121 0.00355 0.00225 0.00459 0.00524 0.00582 0.00500 -0.00598 -0.00572 0.00079 0.00157 0.00249 0.00051 0.00130 0.00222 0.01957 0.01547 0.00010 0.00011 -0.00018 -0.00017 0.00097 0.00032 0.00002 -0.00149 -0.00014 0.00001 -0.00003 0.00003 -0.00003 -0.00090 -0.00005 -0.00002 0.00159 0.00071 0.00055 -0.00020 0.00027 0.00230 0.00001 -0.00002 -0.00003 0.00072 -0.00002 0.00002 -0.00001 -0.00013 -0.00020 0.00006 0.00021 -0.00007 0.00006 -0.00004 0.00020 -0.00044 0.00049 0.00017 -0.00024 0.00026 0.00001 -0.00058 -0.00040 -0.00063 0.00005 -0.00006 -0.00124 -0.00058 -0.00024 -0.00035 0.00067 0.00039 0.00040 0.00340 0.00018 0.00122 -0.00005 -0.00011 -0.00027 -0.00146 -0.00093 -0.00288 -0.00009 -0.00257 0.00072 -0.00160 0.00042 0.00048 -0.00006 0.00006 0.00067 0.00014 0.00053 0.00172 -0.00059 -0.00058 -0.00033 0.00026 0.00088 0.00020 0.00653 0.00626 0.00627 0.00064 0.00037 0.00073 0.00045 0.00080 0.00053 -0.02465 -0.00119 -0.00108 -0.00113 -0.00102 -0.00087 -0.00126 -0.00022 -0.00061 0.00571 0.00552 0.00246 0.00232 -0.00964 -0.00620 -0.00344 -0.00069 0.00018 -0.00068 -0.00058 -0.00106 -0.00131 -0.00120 -0.00169 0.00132 0.00120 0.00136 -0.00261 -0.00377 -0.00332 0.00140 0.00374 0.00120 0.00354 0.00224 0.00458 0.00524 0.00582 0.00500 -0.00598 -0.00572 0.00079 0.00157 0.00249 0.00051 0.00129 0.00222 0.01956 0.01546 2.63358 2.67405 2.64345 2.84012 3.40860 1.92646 1.96085 2.95260 2.81819 1.81827 1.81720 1.85208 1.84518 3.40280 1.84182 1.84754 3.66578 3.53622 3.47482 1.87390 3.60610 3.19872 1.83536 1.83225 1.84092 3.17571 1.84109 1.81869 1.81783 1.88097 1.91329 1.96736 1.87797 1.90659 1.91555 1.88234 2.06362 2.00503 1.97378 1.84086 1.86173 1.84670 1.89727 2.75539 1.81982 1.95398 1.84294 2.69556 2.74178 2.09123 1.86370 2.22727 1.88399 1.49401 1.86350 2.16548 1.85439 1.77950 1.80797 1.82030 1.91448 2.78863 1.89862 2.04797 1.83710 2.94581 1.66349 2.21811 1.60956 2.11708 1.90982 1.87423 2.92796 3.03142 2.96052 3.01419 2.92302 3.13298 3.22721 3.27458 3.13321 3.25984 -2.39994 -0.26844 1.81267 3.05580 0.94120 0.97491 -1.13969 -1.10050 3.06809 -0.28432 -0.32226 1.67479 -2.47932 -0.48227 -1.86604 0.08529 0.25294 2.20426 -0.12071 -2.10477 0.24510 2.23903 -2.02797 0.05324 -2.08121 0.67804 -1.38372 2.67002 0.49998 -1.33610 -1.71110 2.40205 0.56596 -1.03448 2.86783 0.88096 0.22186 2.66419 -1.42306 -2.54748 1.68226 -0.27422 -2.32766 1.27882 -0.77463 2.85070 0.67302 -1.20199 0.77772 -1.15740 -1.41040 0.22999 2.62549 0.47483 2.11522 -1.77246 -0.57110 1.63771 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000047 0.000010 0.009239 0.002409 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -6.010490e-07 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 372 A 360 A 360 560 372 56 56 952.5583755050 28 28 28 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0301588731 0.000000 1.393577 0.000000 1.414986 2.295527 0.000000 1.398944 2.324851 2.294354 0.000000 1.503014 2.338146 2.387155 2.346340 0.000000 2.142017 3.256481 2.656067 2.662469 1.019269 0.000000 2.134837 2.571656 2.706308 3.269250 1.037625 1.636936 0.000000 5.225651 6.592112 4.631989 4.978755 5.205665 4.383401 5.754077 0.000000 4.325301 3.349428 4.441163 5.590881 4.560314 5.409166 3.906906 8.829878 0.000000 3.391454 3.509445 3.574159 4.667518 2.523077 2.912461 1.491397 6.598625 3.399987 0.000000 3.432332 3.239409 3.501079 4.803634 2.964173 3.535110 2.005991 7.078364 2.469799 0.980059 0.000000 3.521690 4.744960 3.592102 3.830905 2.568334 1.563236 2.904738 3.434087 6.649287 3.747417 4.504439 0.000000 3.890981 5.001782 3.755290 4.471312 2.892755 2.036149 2.888791 3.790627 6.415323 3.337799 4.119752 0.974675 0.000000 3.749179 4.117530 3.618284 4.987974 2.898019 2.987133 1.992582 6.107679 4.029672 0.976445 1.589897 3.433656 2.815383 0.000000 3.682841 5.017985 3.504013 3.802365 3.096389 2.131712 3.554468 2.463118 7.099743 4.433561 5.081919 0.977688 1.555007 4.048576 0.000000 4.303611 5.660206 3.683443 4.174561 4.325180 3.559304 4.859796 0.962182 7.872906 5.723165 6.163642 2.800324 3.158930 5.275683 1.838505 0.000000 3.914848 5.249852 3.365789 3.547760 4.218788 3.598782 4.895300 1.568693 7.747937 5.922462 6.275803 3.224332 3.740433 5.613115 2.341965 0.991729 0.000000 3.576442 2.815467 3.559845 4.906043 3.818036 4.603595 3.169886 7.884490 0.961637 2.734211 1.801158 5.788591 5.546237 3.275995 6.194529 6.929898 6.832195 0.000000 2.828370 1.898877 2.992032 4.078081 3.328314 4.197033 2.916161 7.503875 1.546077 2.967119 2.215435 5.518080 5.436988 3.573489 5.870788 6.541769 6.323800 0.971222 0.000000 3.994606 4.958750 2.810558 4.705548 4.109474 3.734936 4.073950 3.579371 6.003539 4.277504 4.423640 3.492573 3.135371 3.640201 3.113563 2.842603 3.232728 5.052290 4.979206 0.000000 3.181818 4.070213 1.900657 3.961265 3.543200 3.369089 3.561986 3.929412 5.286463 3.912137 3.934063 3.536606 3.332223 3.467888 3.240437 3.066547 3.179197 4.335671 4.152634 0.969599 0.000000 4.086666 5.233035 3.015690 4.524628 4.187064 3.641261 4.359613 2.609369 6.721794 4.810139 5.075508 3.160203 2.996605 4.210519 2.545605 1.908123 2.390612 5.761518 5.570244 0.974188 1.527454 0.000000 3.579361 4.730244 3.278711 2.765718 4.354686 4.057433 5.192116 3.156443 7.621837 6.407730 6.606948 4.265881 4.912041 6.328986 3.594145 2.677970 1.691475 6.793815 6.098519 4.272512 3.857624 3.652280 0.000000 2.755870 3.871760 2.758867 1.803241 3.604193 3.459731 4.496645 3.734813 6.918916 5.797018 5.979634 3.988524 4.675272 5.846676 3.514064 3.094490 2.207813 6.131398 5.379259 4.349209 3.783148 3.872535 0.974272 0.000000 3.861535 4.845999 3.352800 3.162094 4.868268 4.697471 5.631022 3.714901 7.598419 6.760892 6.831125 5.003944 5.550285 6.683482 4.331745 3.244835 2.300195 6.794251 6.093273 4.374732 3.891776 3.859050 0.962400 1.539183 0.000000 4.480470 5.278835 3.964675 5.467428 3.703540 3.270081 3.196042 4.895620 5.664027 2.796613 3.363345 2.849535 1.939010 1.870912 3.196009 4.220262 4.833157 4.811777 5.020294 2.656649 2.997286 3.084291 5.981927 5.769602 6.380159 0.000000 5.436173 6.194327 4.865553 6.423713 4.641797 4.188079 4.082088 5.390453 6.268187 3.473937 4.002931 3.597534 2.634302 2.508822 3.903808 4.828063 5.540049 5.463940 5.786228 3.193475 3.702977 3.635501 6.799199 6.654320 7.181146 0.961958 0.000000 4.241587 5.113717 3.448777 5.175759 3.782640 3.354339 3.431588 4.337056 5.690180 3.246493 3.623524 2.965243 2.213284 2.393769 3.022808 3.631978 4.214626 4.777689 4.907960 1.680131 2.137240 2.208113 5.368409 5.254624 5.669881 0.995433 1.577458 0.000000 BF3H16O8 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 195.8014096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;23;26;6;7;8;9;11;13;14;15;17;19;21;22;24;25;27;28/rA:28nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4901,-1.4313,-.275;-1.715,-2.0607,-.0615;-.0653,-.8004,.9181;.5036,-2.3157,-.708;-.6904,-.4009,-1.3508;.1223,.1839,-1.5417;-1.4635,.2591,-1.1426;4.1065,1.0291,.0787;-4.4977,-.6419,1.1478;-2.437,1.3089,-.7251;-2.9707,.9248,.0016;1.182,1.3225,-1.6974;.7499,2.1075,-1.3139;-1.9003,2.0414,-.366;1.974,1.1632,-1.1467;3.1883,.7573,.1727;3.1916,-.2273,.2916;-3.5875,-.3319,1.1351;-3.0422,-1.0999,.8982;1.0164,1.6477,1.7761;.5546,.7958,1.7431;1.8852,1.4526,1.3809;2.9861,-1.8998,.4381;2.1552,-2.1544,-.0025;2.9235,-2.2638,1.3268;-.3559,3.04,-.0227;-.3983,3.9891,.1285;.1344,2.6382,.7448; 0.6443707 0.4990628 0.3623482 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. One-electron integral symmetry used in STVInt NBasis= 360 RedAO= T EigKep= 1.57D-04 NBF= 360 NBsUse= 360 1.00D-06 EigRej= -1.00D+00 NBFU= 360 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 372 372 372 372 372 MxSgAt= 28 MxSgA2= 28. 1 Closed 1 1 1 -936.515249201326 -936.515249201 1 9.336485006878e+02 -4.126107608571e+03 1.303415642050e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1415293450 LenY= 1415154625 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. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 28. Will process 29 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111 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. 8723 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1415577600 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 860000000 NMat= 84 IRICut= 210 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 84 NMatS0= 84 NMatT0= 0 NMatD0= 84 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 82.91% of shell-pairs survive, threshold= 0.20 IRatSp=83. There are 87 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 84 vectors produced by pass 0 Test12= 1.96D-14 1.15D-09 XBig12= 4.05D+01 1.03D+00. AX will form 84 AO Fock derivatives at one time. 84 vectors produced by pass 1 Test12= 1.96D-14 1.15D-09 XBig12= 2.61D+00 2.57D-01. 84 vectors produced by pass 2 Test12= 1.96D-14 1.15D-09 XBig12= 2.46D-02 2.17D-02. 84 vectors produced by pass 3 Test12= 1.96D-14 1.15D-09 XBig12= 1.19D-04 1.53D-03. 84 vectors produced by pass 4 Test12= 1.96D-14 1.15D-09 XBig12= 2.20D-07 4.12D-05. 60 vectors produced by pass 5 Test12= 1.96D-14 1.15D-09 XBig12= 1.97D-10 1.12D-06. 6 vectors produced by pass 6 Test12= 1.96D-14 1.15D-09 XBig12= 1.59D-13 2.79D-08. 2 vectors produced by pass 7 Test12= 1.96D-14 1.15D-09 XBig12= 1.45D-16 1.45D-09. InvSVY: IOpt=1 It= 1 EMax= 1.15D-14 Solved reduced A of dimension 488 with 87 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 84.06 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 91.820 -0.575 86.645 -1.077 -1.445 73.720 104.145 0.447 101.565 -1.125 -0.659 91.270 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT7203.100S Fri May 5 10:48:37 2023 -24.65813 -24.65544 -24.65519 -19.17188 -19.15692 -19.15134 -19.15127 -19.14476 -19.13984 -19.13713 -19.13464 -6.87696 -1.21509 -1.17346 -1.16822 -1.07483 -1.05193 -1.04357 -1.03764 -1.03498 -1.02730 -1.02236 -1.01719 -0.60413 -0.58766 -0.57403 -0.56905 -0.56439 -0.56108 -0.55518 -0.55094 -0.54972 -0.53298 -0.51342 -0.50733 -0.46289 -0.44716 -0.44163 -0.43709 -0.42920 -0.41877 -0.41293 -0.40858 -0.40670 -0.40363 -0.39067 -0.38706 -0.38207 -0.37509 -0.35457 -0.35008 -0.34580 -0.33994 -0.33872 -0.33490 -0.33048 -0.01777 0.00215 0.01251 0.02937 0.04037 0.05965 0.06414 0.07826 0.08765 0.08818 0.10105 0.11406 0.12279 0.12796 0.13000 0.13867 0.14334 0.14728 0.15220 0.16102 0.16742 0.17193 0.17519 0.18704 0.19144 0.19532 0.19705 0.19827 0.21210 0.21440 0.21843 0.22661 0.23069 0.23347 0.23833 0.24369 0.24852 0.25180 0.25868 0.26201 0.26409 0.27458 0.28066 0.28342 0.29085 0.29562 0.29814 0.30496 0.31142 0.31672 0.32897 0.33510 0.34218 0.35215 0.36404 0.38020 0.38747 0.39323 0.41097 0.43222 0.43596 0.44774 0.45369 0.46827 0.47632 0.48221 0.49330 0.49905 0.52121 0.52549 0.53035 0.54063 0.54097 0.55369 0.56351 0.56963 0.58333 0.58835 0.59394 0.60162 0.61315 0.63383 0.64431 0.64847 0.65428 0.67064 0.69649 0.78776 0.91283 0.92427 0.93798 0.94132 0.95493 0.95973 0.96601 0.97588 0.99192 1.00374 1.01121 1.01362 1.02919 1.03729 1.03931 1.04161 1.04723 1.05911 1.06387 1.07075 1.08465 1.09296 1.11244 1.12154 1.14387 1.16131 1.20507 1.23452 1.24956 1.25146 1.26888 1.27288 1.28132 1.30112 1.31056 1.31913 1.32568 1.32952 1.33877 1.34982 1.36795 1.37946 1.38082 1.39397 1.39801 1.40338 1.41781 1.43131 1.44250 1.45396 1.46313 1.47203 1.48745 1.49154 1.50752 1.51950 1.53511 1.54541 1.55331 1.56225 1.57626 1.59679 1.60402 1.64179 1.65665 1.66042 1.68082 1.68888 1.69909 1.70860 1.73478 1.73784 1.77286 1.78030 1.81415 1.83868 1.85839 1.94225 1.98654 2.00907 2.01622 2.02273 2.02867 2.06794 2.12361 2.16256 2.18061 2.18767 2.21604 2.22780 2.24196 2.26578 2.29862 2.32002 2.34676 2.35775 2.37798 2.39738 2.42006 2.43483 2.47936 2.50160 2.51225 2.52213 2.63195 2.63523 2.65825 2.67766 2.68747 2.70073 2.71584 2.73838 2.80842 2.83755 2.85663 2.89585 3.05683 3.06658 3.09307 3.10172 3.11166 3.11378 3.11490 3.12443 3.13364 3.14886 3.16131 3.16983 3.17854 3.19812 3.22629 3.28289 3.29068 3.29642 3.30324 3.30735 3.31542 3.34179 3.35576 3.44214 3.62652 3.65727 3.66637 3.68082 3.70666 3.71254 3.73473 3.77052 3.79005 3.79552 3.81161 3.81779 3.82573 3.83455 3.86821 3.87665 3.89176 3.89494 3.89916 3.90519 3.91863 3.92037 3.92912 3.95766 3.97064 4.08193 4.23834 4.25563 4.39013 4.65340 4.66459 4.96169 4.97721 4.98322 4.98372 4.99319 5.00277 5.05196 5.10167 5.32548 5.36579 5.37327 5.38110 5.40542 5.43903 5.45858 5.54707 5.62150 5.62324 5.63644 5.64779 5.65444 5.66966 5.70543 5.73798 6.33105 6.33921 6.39050 6.41591 6.44395 6.48065 6.48789 6.65911 6.67835 14.56292 49.86102 49.86743 49.88340 49.89381 49.89632 49.92261 49.93456 49.97094 66.82187 66.83287 66.85514 1-A. Mulliken charges: 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 B F F F O H H H H O H O H H H O H O H O H H O H H O H H 0.929942 -0.368435 -0.418463 -0.374028 -0.818448 0.497606 0.504028 0.305968 0.279119 -0.698729 0.389933 -0.628899 0.311638 0.373739 0.368102 -0.776886 0.433212 -0.598950 0.301577 -0.566771 0.274622 0.333761 -0.596492 0.313756 0.267521 -0.748376 0.316081 0.393873 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 10 12 16 18 20 23 26 B F F F O O O O O O O O 0.929942 -0.368435 -0.418463 -0.374028 0.183185 0.064942 0.050841 -0.037707 -0.018254 0.041612 -0.015214 -0.038422 -0.00000 5.68364153e-01 1.00633715e+00 8.43237958e-01 9.18199506e+01 -5.74687408e-01 8.66447455e+01 -1.07734026e+00 -1.44459136e+00 7.37199472e+01 -5.2289 -3.1033 -0.0002 0.0003 0.0008 2.4938 29.0541 38.1968 56.4283 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 29.0496 38.1949 56.4264 64.9103 66.8052 80.9467 87.7850 104.1306 110.3354 136.7597 158.5011 163.2413 175.4916 182.5383 204.3847 210.3173 215.7554 231.5523 245.4074 272.2382 278.5933 294.9012 302.0241 318.1728 351.2975 361.5036 375.8997 391.2407 399.5164 428.0631 463.6347 496.8197 501.8260 515.7652 529.7693 536.2965 561.5077 619.8555 646.9564 675.0707 705.3905 715.4552 745.4487 811.3243 829.6010 875.1133 959.8221 968.8699 993.1234 1035.3113 1040.5995 1079.4492 1212.8056 1354.3354 1627.3825 1641.9977 1645.7513 1661.3564 1675.8188 1699.3093 1721.4949 1824.5449 2494.8358 2841.3732 3222.3275 3296.5506 3519.5117 3566.5075 3602.7371 3643.3705 3656.1471 3662.1499 3707.3549 3761.0341 3876.0812 3877.7707 3877.9937 3891.3857 5.7567 5.3790 9.4386 6.4935 6.8244 6.1961 7.0912 7.0202 7.8723 5.7018 4.9872 7.1117 4.9444 5.9266 2.1982 4.9571 1.6598 1.1837 5.4637 7.1766 8.3026 5.5017 5.1483 1.1661 1.1790 1.1363 8.0959 2.8400 1.3431 1.0591 1.0746 7.8115 4.1312 4.0974 1.1785 1.1273 1.1947 1.0722 1.0614 1.1151 1.0531 1.0899 8.0378 1.0845 1.0921 1.0696 2.3261 1.5609 1.0895 2.2979 1.4556 4.4957 1.1879 1.1983 1.0758 1.0770 1.0795 1.0710 1.0701 1.0726 1.0665 1.0617 1.1048 1.0628 1.0673 1.0659 1.0541 1.0557 1.0782 1.0613 1.0589 1.0686 1.0555 1.0703 1.0666 1.0695 1.0667 1.0731 0.0029 0.0046 0.0177 0.0161 0.0179 0.0239 0.0322 0.0448 0.0565 0.0628 0.0738 0.1117 0.0897 0.1163 0.0541 0.1292 0.0455 0.0374 0.1939 0.3134 0.3797 0.2819 0.2767 0.0696 0.0857 0.0875 0.6740 0.2561 0.1263 0.1143 0.1361 1.1360 0.6130 0.6422 0.1949 0.1910 0.2219 0.2427 0.2617 0.2994 0.3087 0.3287 2.6316 0.4206 0.4429 0.4826 1.2626 0.8633 0.6331 1.4512 0.9287 3.0864 1.0294 1.2950 1.6787 1.7108 1.7227 1.7417 1.7706 1.8249 1.8622 2.0825 4.0516 5.0554 6.5294 6.8248 7.6928 7.9117 8.2452 8.3003 8.3399 8.4435 8.5472 8.9204 9.4412 9.4754 9.4515 9.5737 3.0379 0.7591 4.7738 4.1773 2.4115 1.4838 1.1102 1.9998 0.4043 0.2638 1.5615 3.3234 6.7954 10.4277 32.2904 40.2621 98.6687 68.4749 25.2372 23.5776 10.5473 6.1896 46.9561 53.9217 82.3413 47.1074 16.0044 54.3419 19.7051 4.9490 86.3240 2.5858 10.0994 67.4450 63.0210 65.9645 209.8259 45.6760 59.7604 159.9614 160.5551 299.3068 17.7612 138.3763 173.4843 117.9330 126.1084 237.4451 151.3049 263.5625 115.7963 350.3846 399.1270 58.0436 126.3123 49.4062 59.5106 80.9337 15.5040 25.8854 60.6677 157.2027 2141.8679 1308.9333 1015.9791 1042.8520 370.7297 365.9213 664.6283 176.8465 345.2372 897.0826 280.4952 359.9903 65.0261 111.8098 57.9300 110.5621 0.01 -0.01 -0.10 0.01 -0.02 -0.09 0.01 -0.03 -0.09 0.01 0.00 -0.12 -0.00 0.01 -0.07 -0.00 0.02 -0.06 -0.00 0.00 -0.04 -0.09 -0.04 0.18 0.29 0.09 0.50 -0.00 -0.01 0.02 0.10 -0.00 0.10 0.03 -0.01 -0.01 0.02 0.01 -0.04 0.01 0.02 -0.06 -0.01 -0.02 0.04 -0.10 -0.03 0.12 -0.11 -0.03 0.13 0.30 0.05 0.27 0.22 0.02 0.17 -0.16 0.03 -0.01 -0.17 0.03 -0.02 -0.15 0.00 0.04 -0.09 -0.03 0.14 -0.04 -0.03 0.05 -0.23 0.02 0.15 -0.01 0.04 -0.10 -0.01 0.05 -0.12 -0.06 0.05 -0.07 -0.01 0.03 -0.04 0.02 -0.05 -0.07 -0.07 0.03 -0.02 0.05 0.10 -0.04 -0.05 0.04 -0.02 -0.05 0.03 -0.05 -0.04 0.04 0.02 0.08 -0.08 -0.24 -0.02 -0.13 -0.09 -0.02 0.02 0.11 -0.00 -0.02 0.10 -0.04 0.01 -0.06 -0.01 0.01 -0.01 -0.00 -0.00 0.13 -0.01 -0.02 -0.12 0.07 -0.03 -0.19 0.03 -0.01 -0.03 -0.02 -0.12 -0.02 -0.00 -0.10 -0.04 0.16 -0.05 -0.06 0.16 -0.05 -0.08 0.14 -0.02 -0.11 -0.12 0.05 0.35 -0.06 0.02 0.24 -0.36 0.30 0.44 0.04 -0.02 0.06 0.05 -0.02 0.07 0.09 -0.03 0.03 0.13 0.02 -0.02 0.12 0.13 0.23 0.43 0.01 -0.12 -0.03 -0.07 -0.19 0.01 0.02 -0.00 -0.03 0.06 -0.03 -0.01 -0.02 0.02 -0.11 -0.22 -0.02 -0.14 -0.09 -0.18 -0.04 -0.03 0.00 -0.10 -0.02 -0.04 -0.05 0.07 -0.00 -0.06 0.05 0.02 -0.07 -0.02 0.02 -0.08 0.01 0.03 -0.13 -0.14 0.01 -0.19 -0.14 0.04 -0.17 -0.02 -0.09 -0.08 0.02 -0.02 0.01 0.13 0.04 0.01 0.13 0.08 -0.01 0.09 0.01 -0.13 -0.15 0.12 -0.05 -0.16 -0.02 -0.38 0.03 0.18 -0.09 0.03 0.03 -0.12 0.04 -0.00 -0.06 0.08 0.03 -0.01 0.11 -0.02 0.07 -0.03 0.00 -0.11 0.24 -0.06 0.10 0.19 0.04 -0.10 0.02 -0.09 -0.09 0.01 -0.10 -0.08 0.02 -0.04 -0.10 -0.14 0.04 -0.01 -0.19 -0.10 -0.07 0.01 0.08 -0.02 -0.04 0.09 -0.01 -0.08 -0.02 0.02 -0.07 -0.01 -0.04 -0.02 0.08 -0.06 -0.17 0.03 -0.09 -0.18 0.09 -0.03 -0.17 0.10 -0.02 -0.15 0.01 0.03 -0.11 -0.01 0.03 0.14 0.07 -0.04 0.18 0.13 0.00 0.02 0.05 0.15 -0.22 -0.05 0.06 -0.13 0.06 0.36 -0.42 -0.12 0.04 -0.02 -0.07 0.05 -0.00 -0.16 0.05 0.06 -0.03 0.02 -0.02 0.06 0.02 -0.05 -0.03 0.01 -0.19 0.15 0.02 0.05 -0.07 0.01 0.12 0.19 0.03 0.08 0.13 0.03 0.13 0.23 0.01 -0.03 0.12 -0.10 -0.14 -0.25 0.01 0.10 0.22 0.01 0.09 0.22 0.08 -0.00 -0.03 0.11 0.07 -0.13 -0.04 0.17 0.14 0.06 0.02 -0.01 0.00 -0.04 0.05 -0.00 -0.04 0.02 -0.10 -0.14 -0.05 -0.07 -0.10 -0.10 -0.15 0.02 -0.21 -0.15 0.02 -0.18 -0.11 -0.02 -0.11 0.01 -0.05 -0.03 0.03 -0.03 -0.07 -0.05 -0.03 -0.03 0.07 0.19 -0.21 0.14 0.19 -0.21 0.02 0.14 -0.20 -0.02 -0.05 -0.03 0.00 -0.07 0.07 0.03 0.02 -0.09 -0.03 -0.05 -0.06 -0.10 -0.09 -0.07 -0.08 -0.13 -0.11 -0.01 -0.03 0.03 -0.13 0.22 0.10 -0.07 0.00 -0.25 0.14 0.07 0.16 0.12 0.08 0.15 -0.05 -0.15 -0.11 -0.04 -0.14 -0.11 0.20 0.04 0.14 -0.06 -0.12 -0.09 -0.12 0.17 0.07 -0.07 0.16 0.05 -0.05 -0.03 -0.05 -0.05 -0.03 -0.05 -0.04 0.01 0.19 -0.07 0.03 0.15 -0.06 -0.00 0.15 -0.06 0.18 -0.03 -0.03 0.14 -0.06 -0.07 0.15 -0.04 0.27 -0.01 -0.04 0.34 0.00 -0.12 0.18 0.00 0.03 -0.03 0.05 -0.06 -0.08 0.15 -0.04 0.03 0.06 -0.08 -0.10 -0.03 -0.05 0.02 0.05 -0.07 0.06 0.02 -0.01 -0.00 0.01 -0.04 0.25 0.03 0.18 -0.16 -0.15 0.02 -0.11 -0.15 0.10 -0.08 -0.18 0.11 0.21 -0.09 0.07 0.18 -0.08 0.02 -0.12 -0.14 0.09 0.19 -0.05 0.10 0.24 0.09 0.17 0.15 0.08 0.10 -0.16 -0.12 0.16 -0.12 -0.08 0.12 0.09 0.06 -0.05 0.15 0.03 -0.06 0.14 0.10 0.03 -0.09 0.10 -0.04 -0.07 0.14 -0.10 -0.14 0.04 -0.07 -0.02 -0.15 -0.12 -0.05 -0.14 -0.19 0.02 -0.06 -0.11 -0.02 -0.07 -0.05 -0.06 0.01 -0.07 -0.06 0.06 -0.10 -0.05 -0.18 0.12 0.07 -0.14 -0.15 0.06 -0.09 -0.04 0.12 -0.11 -0.06 0.03 -0.08 -0.07 -0.05 -0.02 -0.26 0.24 -0.09 0.16 0.23 -0.08 0.16 -0.06 0.10 0.13 -0.09 0.09 0.10 0.19 -0.04 0.11 -0.05 0.12 0.12 0.02 -0.03 -0.02 -0.02 -0.03 -0.02 -0.03 -0.08 0.03 -0.03 -0.07 0.00 0.03 0.15 -0.11 -0.01 0.17 -0.13 0.03 0.11 -0.08 -0.02 -0.04 -0.01 -0.03 -0.08 0.04 0.05 -0.05 -0.01 -0.06 0.29 0.07 -0.13 0.29 0.07 0.01 0.31 0.03 -0.05 -0.06 -0.02 0.05 -0.20 0.12 0.01 -0.01 -0.07 0.00 0.06 -0.14 -0.22 -0.07 -0.00 -0.19 -0.10 0.05 -0.17 -0.02 0.02 0.22 -0.01 -0.03 0.11 0.04 0.07 -0.06 0.14 -0.08 -0.05 0.16 -0.07 -0.07 -0.18 0.29 -0.03 -0.12 0.21 -0.03 0.12 -0.09 -0.05 -0.15 0.26 0.23 0.03 0.12 0.19 0.03 0.10 0.10 0.05 -0.11 0.08 0.02 -0.06 0.08 0.06 -0.12 0.12 0.04 -0.18 0.14 0.12 -0.02 -0.02 0.04 -0.02 -0.01 0.11 -0.09 -0.11 -0.01 -0.04 -0.07 0.13 0.03 -0.04 0.13 -0.00 -0.02 0.14 -0.00 0.02 -0.02 -0.06 0.03 -0.01 0.01 0.03 0.03 -0.08 0.07 0.04 -0.05 -0.05 -0.04 -0.08 -0.05 -0.04 -0.08 -0.02 -0.03 -0.01 0.03 0.11 -0.01 -0.25 0.25 -0.17 0.05 -0.00 0.09 0.01 0.07 0.10 -0.01 -0.04 -0.00 -0.00 -0.03 -0.00 0.07 0.01 0.04 -0.02 -0.05 -0.00 0.06 0.02 -0.00 0.16 0.03 0.04 -0.23 0.21 0.13 -0.20 0.20 0.23 -0.16 -0.20 -0.10 -0.12 -0.22 -0.26 -0.11 -0.10 -0.02 0.23 -0.03 0.11 0.22 -0.02 0.13 0.26 -0.03 0.11 -0.05 -0.00 0.03 -0.05 -0.02 0.11 -0.07 -0.08 0.00 0.01 -0.02 -0.02 -0.02 0.03 -0.06 0.02 -0.04 -0.01 -0.00 -0.05 0.00 0.05 -0.00 -0.02 0.03 0.12 0.10 -0.00 -0.13 -0.10 0.00 0.01 -0.26 -0.06 -0.10 0.23 -0.19 -0.02 -0.10 -0.16 -0.01 -0.08 -0.14 0.05 0.22 -0.12 0.05 0.27 -0.23 0.00 -0.12 -0.09 0.03 0.15 0.02 0.00 -0.11 0.05 0.01 -0.08 -0.08 -0.04 0.08 -0.06 -0.02 0.05 -0.02 -0.00 0.11 -0.04 0.01 0.05 -0.01 -0.00 0.13 0.09 -0.01 0.04 0.09 -0.04 0.06 0.07 0.07 0.08 0.25 0.09 -0.12 0.40 0.12 -0.27 0.09 0.12 -0.02 0.01 -0.11 -0.02 0.02 -0.16 -0.15 -0.06 -0.18 0.04 0.08 -0.01 -0.09 0.01 -0.03 0.03 -0.01 -0.02 0.01 -0.00 -0.06 0.03 -0.08 0.00 0.21 -0.20 0.24 -0.02 -0.03 -0.02 -0.01 -0.07 0.04 -0.01 -0.04 0.06 -0.09 -0.07 0.03 -0.06 -0.01 -0.04 -0.02 -0.05 0.07 -0.08 -0.09 0.00 0.13 -0.09 -0.00 0.10 -0.18 0.20 0.11 -0.19 0.17 0.19 0.28 0.26 0.04 0.23 0.28 0.29 0.20 0.12 -0.09 0.04 -0.01 0.01 0.05 -0.01 -0.02 0.03 -0.06 -0.01 -0.03 -0.03 0.00 -0.07 -0.02 -0.07 0.07 0.07 -0.01 -0.04 -0.01 0.01 -0.07 0.05 0.05 0.02 -0.00 -0.03 -0.10 -0.06 0.01 -0.06 -0.01 -0.01 -0.10 0.00 -0.05 -0.06 -0.00 -0.01 0.03 0.15 0.46 0.09 -0.09 0.20 -0.04 0.02 -0.02 -0.04 -0.00 -0.03 -0.15 0.19 -0.12 -0.19 0.13 -0.01 -0.03 -0.00 0.01 -0.12 0.21 -0.19 0.02 0.07 0.22 0.07 0.07 0.16 0.08 -0.08 -0.06 0.05 -0.08 -0.12 0.10 -0.07 -0.15 0.08 -0.06 -0.10 0.09 -0.11 -0.17 0.14 -0.06 0.09 0.13 -0.05 0.12 0.22 -0.16 0.05 0.09 -0.04 -0.01 0.14 -0.04 0.03 0.12 -0.09 -0.04 -0.06 -0.03 -0.02 -0.13 0.07 -0.04 0.02 -0.09 -0.02 -0.13 -0.08 -0.06 -0.05 0.03 0.02 -0.02 -0.05 -0.03 -0.02 0.06 0.04 0.04 0.10 -0.23 0.07 -0.06 0.19 -0.04 0.08 0.03 -0.04 0.05 0.01 0.12 -0.14 -0.10 0.15 -0.10 -0.17 -0.04 0.07 0.06 0.08 -0.14 -0.05 0.07 0.05 -0.11 0.16 0.07 -0.01 0.07 -0.06 -0.06 0.02 -0.06 -0.17 -0.02 0.14 0.18 -0.01 0.13 0.19 -0.04 0.16 0.14 0.26 -0.05 0.13 0.25 -0.08 0.18 0.32 -0.03 0.14 -0.12 0.07 0.05 -0.18 0.07 0.04 -0.11 0.13 0.06 0.01 -0.01 0.01 0.03 -0.03 0.02 -0.00 0.03 -0.01 0.03 0.00 0.02 0.00 -0.02 -0.02 0.00 -0.04 -0.04 0.01 -0.03 -0.04 0.02 -0.00 0.13 -0.07 -0.07 0.82 -0.03 0.01 -0.08 -0.12 0.05 -0.14 0.07 -0.03 -0.11 0.10 0.00 -0.14 -0.07 0.02 -0.03 0.06 -0.03 -0.08 0.01 -0.01 0.03 0.00 -0.01 0.01 -0.09 -0.06 0.04 -0.21 -0.12 -0.02 0.00 -0.04 -0.00 -0.03 -0.02 -0.03 -0.01 -0.06 -0.02 -0.04 0.01 -0.02 -0.03 0.02 -0.05 -0.08 0.03 -0.02 0.03 0.15 0.08 0.03 0.14 0.18 0.03 0.08 0.04 -0.01 -0.03 0.02 0.03 -0.10 0.06 -0.05 0.02 0.01 0.00 0.01 -0.02 -0.04 -0.03 0.00 -0.07 -0.05 -0.04 -0.04 -0.01 0.01 0.33 -0.07 0.09 -0.01 0.06 -0.37 -0.01 -0.07 -0.01 0.04 -0.07 0.04 -0.02 0.19 -0.15 -0.04 0.13 -0.06 -0.03 -0.03 -0.06 0.04 0.22 -0.25 0.29 0.03 -0.02 0.18 0.04 -0.07 0.00 0.04 0.01 0.05 0.04 0.12 -0.12 0.03 0.19 -0.08 0.01 0.11 -0.09 0.08 0.24 -0.08 -0.15 -0.02 -0.03 -0.07 -0.15 -0.35 -0.02 0.01 0.01 0.04 -0.06 0.01 0.04 -0.09 -0.07 0.07 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.02 0.00 0.01 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.01 0.01 0.05 0.03 -0.03 -0.07 -0.03 0.14 0.86 0.07 -0.01 0.09 -0.04 0.02 0.01 -0.03 0.04 0.04 -0.06 0.01 0.07 0.08 -0.04 0.13 -0.02 0.04 0.03 0.03 -0.00 -0.02 0.01 -0.00 -0.03 -0.01 0.04 -0.09 -0.24 -0.08 -0.21 -0.03 0.04 0.01 -0.02 0.03 -0.00 -0.02 0.05 0.03 0.00 -0.02 -0.00 0.01 -0.00 -0.03 -0.07 0.04 0.02 -0.01 -0.09 -0.05 -0.03 -0.08 -0.13 -0.00 -0.03 -0.02 0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.02 -0.01 -0.01 0.01 -0.00 -0.00 0.01 0.00 0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 0.03 -0.05 -0.17 -0.01 -0.01 0.05 0.00 0.02 -0.00 -0.00 0.03 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.00 0.01 0.02 -0.00 -0.01 -0.00 -0.01 0.03 0.02 -0.01 -0.02 0.04 0.08 -0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.02 0.00 0.00 0.05 -0.03 -0.03 0.02 0.07 0.05 -0.08 0.01 0.02 -0.26 -0.00 0.36 0.65 -0.54 -0.16 -0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.01 -0.02 -0.00 0.00 -0.03 0.01 0.01 -0.03 -0.01 0.00 0.01 -0.01 -0.01 -0.05 0.03 0.02 -0.01 -0.01 0.03 -0.01 0.01 0.07 0.02 -0.06 0.05 -0.00 0.03 -0.05 -0.35 -0.00 0.15 0.35 -0.14 0.08 0.44 -0.17 -0.03 0.05 0.03 -0.06 0.02 0.07 0.31 0.21 -0.08 0.01 0.08 -0.02 0.04 0.01 -0.02 0.02 0.01 -0.05 -0.11 -0.17 0.19 0.04 -0.05 0.12 -0.06 0.08 -0.03 -0.04 0.06 0.05 -0.05 0.06 -0.01 0.00 -0.04 -0.01 0.06 -0.04 -0.10 -0.20 0.11 0.04 -0.04 -0.17 -0.01 -0.10 -0.17 -0.04 -0.02 -0.14 0.01 -0.09 -0.06 0.00 0.00 -0.18 0.18 -0.09 0.05 -0.07 -0.11 -0.03 -0.09 -0.08 0.01 -0.00 -0.07 -0.06 0.05 -0.06 0.08 0.02 -0.16 -0.06 -0.19 -0.03 0.05 0.06 0.02 -0.03 -0.03 0.05 -0.02 0.00 0.34 0.28 0.10 0.30 0.28 0.04 0.06 -0.03 -0.07 0.22 0.20 0.25 -0.15 -0.06 -0.08 -0.14 -0.06 -0.06 -0.01 -0.01 0.01 -0.07 -0.07 0.08 0.05 -0.04 0.02 0.02 -0.02 0.02 0.02 -0.06 -0.03 0.08 0.10 0.03 0.06 -0.01 0.14 0.29 0.06 0.03 0.03 -0.02 -0.10 -0.10 -0.04 0.02 0.01 -0.04 -0.09 -0.07 0.08 0.01 -0.09 0.11 0.12 -0.07 -0.10 0.14 -0.03 0.24 -0.22 -0.03 -0.02 0.01 -0.01 -0.09 -0.02 -0.03 0.08 -0.03 -0.04 0.11 -0.16 -0.03 -0.14 0.17 0.32 -0.25 -0.20 0.18 -0.19 -0.26 -0.06 -0.05 0.05 -0.04 -0.03 0.04 0.27 -0.22 -0.16 -0.05 -0.04 0.03 -0.02 0.10 -0.02 0.03 0.11 0.04 -0.05 -0.10 0.07 -0.02 -0.10 0.18 -0.02 0.07 -0.03 0.03 0.04 -0.06 0.01 0.12 0.01 0.03 -0.09 0.03 0.02 0.00 -0.01 0.00 -0.20 -0.01 0.10 0.01 0.04 -0.06 -0.00 0.10 0.09 0.02 0.06 0.02 -0.02 -0.00 0.05 -0.07 -0.01 -0.02 0.05 -0.02 -0.01 -0.05 0.02 0.04 0.02 0.02 0.06 0.02 0.06 0.02 -0.01 0.01 -0.11 0.39 0.00 0.00 0.05 -0.02 -0.10 -0.00 0.03 -0.07 -0.04 0.03 0.12 -0.04 0.06 0.10 -0.03 0.03 -0.08 -0.03 0.06 0.13 0.02 0.05 -0.10 0.32 -0.08 -0.03 0.34 -0.05 0.01 0.04 -0.02 -0.00 0.02 -0.00 -0.03 0.06 -0.12 0.04 0.03 -0.18 -0.00 0.17 -0.10 -0.05 -0.29 0.02 0.01 -0.24 -0.12 -0.28 -0.28 0.01 0.09 -0.05 0.11 0.06 -0.06 0.17 0.09 -0.09 0.09 -0.01 -0.01 -0.01 -0.01 -0.03 -0.00 0.00 -0.01 -0.01 -0.02 -0.02 -0.01 -0.02 0.00 0.01 -0.02 0.00 -0.00 -0.04 -0.01 -0.01 0.09 -0.15 0.22 -0.01 0.07 -0.09 -0.07 -0.05 -0.01 -0.05 -0.09 -0.00 0.03 0.02 -0.03 0.08 -0.05 0.19 -0.04 -0.09 0.03 0.11 -0.07 -0.19 0.07 -0.15 -0.04 0.03 -0.15 -0.00 0.01 0.02 -0.01 -0.02 -0.01 -0.00 -0.20 0.23 -0.15 -0.28 0.27 0.02 -0.23 0.07 -0.16 0.03 0.13 -0.00 0.00 0.10 0.06 0.15 0.09 -0.01 0.18 -0.11 0.23 0.23 -0.10 0.16 0.20 -0.12 0.24 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.02 0.01 -0.01 -0.01 0.02 -0.02 0.02 0.02 0.00 -0.01 0.03 0.19 0.76 -0.00 0.01 0.01 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 0.04 0.02 -0.05 0.13 -0.01 0.02 -0.01 0.13 0.03 -0.15 0.00 0.01 -0.07 0.07 0.01 -0.07 -0.00 -0.00 -0.00 -0.01 -0.00 -0.02 0.02 -0.01 0.01 -0.17 0.09 0.27 -0.13 -0.27 -0.21 -0.01 -0.00 0.01 -0.06 0.01 0.09 0.12 -0.08 -0.02 -0.03 0.01 -0.01 0.10 0.03 -0.14 -0.04 0.04 0.00 -0.01 0.01 0.02 -0.01 -0.01 -0.02 0.05 0.00 -0.00 0.00 0.02 0.02 -0.03 -0.00 0.01 -0.04 0.01 0.02 -0.04 -0.01 -0.03 0.00 0.02 0.05 -0.19 0.59 -0.15 -0.01 0.01 -0.03 0.20 -0.04 0.11 -0.01 -0.00 0.01 0.05 0.07 -0.08 0.09 -0.02 -0.11 -0.01 0.01 0.01 0.00 0.00 -0.00 0.01 0.00 -0.02 0.03 -0.04 0.03 -0.45 -0.30 -0.22 0.00 0.00 0.00 -0.00 0.00 0.06 -0.01 -0.02 -0.01 -0.00 -0.01 -0.00 -0.03 0.02 0.03 0.01 0.02 0.01 0.02 0.00 -0.02 -0.28 -0.05 0.24 0.01 -0.06 -0.04 -0.01 0.00 0.01 -0.00 -0.01 0.01 -0.00 0.00 0.00 -0.01 0.01 -0.01 0.02 0.00 -0.00 0.04 -0.05 -0.04 0.05 0.04 0.00 -0.01 -0.04 -0.16 -0.09 0.29 -0.07 0.01 0.00 -0.01 0.09 -0.04 0.03 0.02 0.01 -0.02 -0.08 -0.14 0.18 -0.10 0.10 -0.06 0.01 -0.04 -0.02 -0.01 0.01 0.01 -0.02 0.01 0.03 0.01 -0.02 0.02 -0.22 -0.15 -0.08 0.00 -0.01 -0.01 0.03 -0.02 -0.07 0.02 0.04 0.01 0.01 -0.00 0.00 0.02 -0.00 -0.02 -0.02 -0.00 -0.00 -0.06 -0.01 0.04 0.66 0.11 -0.46 -0.05 0.05 0.07 -0.01 0.05 -0.04 0.10 -0.18 -0.07 -0.04 0.25 -0.07 -0.20 -0.14 -0.11 0.16 0.25 0.29 0.20 0.25 0.32 0.09 0.22 0.24 0.05 -0.06 0.20 -0.06 0.09 0.03 0.11 -0.10 -0.07 0.05 -0.12 -0.11 -0.16 -0.12 -0.02 -0.07 -0.03 -0.10 -0.00 -0.04 -0.03 -0.07 -0.04 -0.13 0.02 -0.04 0.01 -0.02 -0.03 0.09 -0.03 0.01 0.03 -0.09 -0.05 0.08 0.01 -0.02 0.02 0.02 -0.03 -0.14 0.03 0.04 0.05 0.05 0.05 0.03 0.12 -0.01 -0.06 0.07 -0.13 -0.04 -0.00 0.02 -0.01 -0.11 0.00 0.08 0.00 0.00 -0.02 0.04 -0.02 0.01 0.04 0.04 0.12 -0.13 -0.01 0.05 -0.01 -0.03 -0.11 0.17 -0.04 -0.09 0.17 0.02 -0.02 0.17 -0.11 -0.16 -0.01 0.01 -0.04 -0.06 0.23 -0.00 -0.08 0.07 0.04 0.05 -0.02 0.09 -0.03 -0.02 -0.01 -0.06 -0.01 -0.05 -0.03 0.02 0.06 -0.04 0.01 0.01 0.00 -0.03 -0.01 0.05 0.01 0.21 0.02 -0.01 -0.01 -0.16 -0.10 -0.11 -0.00 0.00 -0.00 0.01 -0.00 0.05 -0.00 0.00 0.00 0.01 0.05 0.04 0.21 0.12 -0.36 -0.19 -0.52 -0.21 0.00 -0.00 -0.01 -0.22 -0.04 0.13 -0.01 -0.01 -0.01 0.01 -0.00 -0.01 0.02 0.00 0.05 -0.05 -0.00 0.01 -0.01 0.00 -0.05 0.07 -0.00 -0.03 0.09 0.00 0.00 0.08 -0.02 -0.06 0.04 -0.08 0.01 -0.02 0.07 -0.00 -0.02 0.02 0.01 0.01 -0.03 0.01 -0.02 -0.02 -0.00 -0.06 -0.02 -0.05 -0.02 0.00 0.05 -0.00 0.07 0.00 0.01 0.02 0.03 -0.10 -0.02 -0.26 0.01 -0.00 -0.00 -0.05 -0.03 -0.01 -0.00 0.01 -0.00 -0.02 0.02 -0.05 0.02 0.00 0.04 -0.01 -0.03 -0.04 -0.19 -0.27 0.43 0.32 0.62 0.25 0.00 -0.00 0.00 -0.07 -0.01 0.02 0.02 0.02 0.00 0.01 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.01 0.01 0.01 0.00 0.00 0.01 -0.00 0.01 0.01 0.02 -0.10 0.26 -0.41 0.01 -0.03 0.01 0.01 -0.01 0.00 -0.01 0.02 0.00 -0.00 0.00 -0.00 -0.04 0.03 -0.12 -0.04 0.04 -0.03 -0.12 -0.03 0.17 0.02 -0.00 0.03 0.26 -0.01 -0.05 -0.00 0.00 0.00 0.01 0.02 -0.03 0.00 0.01 -0.02 -0.22 0.11 0.52 -0.13 -0.38 -0.14 -0.01 -0.01 0.00 -0.07 0.08 0.05 -0.01 0.04 0.02 -0.01 0.00 -0.00 0.17 -0.01 0.14 0.02 -0.15 -0.09 -0.01 0.01 0.00 0.01 -0.02 -0.00 0.01 -0.01 0.01 -0.02 0.00 0.01 0.01 0.02 -0.01 0.01 0.02 -0.03 -0.01 0.00 -0.05 -0.10 0.25 -0.14 -0.01 0.04 -0.03 -0.01 0.01 -0.01 -0.03 -0.09 -0.08 0.00 0.01 -0.02 0.01 -0.07 0.16 0.11 -0.16 0.17 -0.02 -0.12 -0.01 -0.00 -0.01 0.01 0.23 -0.01 0.00 0.00 0.00 0.00 -0.02 -0.04 0.09 0.01 -0.02 0.00 -0.22 0.12 -0.19 -0.02 -0.18 -0.00 -0.01 -0.01 -0.00 -0.07 0.11 0.04 -0.01 0.00 -0.00 0.02 -0.01 0.02 -0.41 0.04 -0.41 0.12 0.42 0.16 0.12 0.19 0.04 0.32 0.01 -0.12 -0.00 -0.00 0.30 -0.24 -0.12 -0.01 -0.19 0.01 -0.23 -0.28 0.05 -0.36 -0.20 0.00 -0.13 0.00 0.01 0.07 -0.01 0.00 0.05 0.02 -0.02 -0.00 0.07 0.07 0.09 0.01 0.00 0.02 0.16 -0.01 0.21 0.08 0.01 -0.15 0.02 -0.23 -0.08 -0.00 0.00 -0.00 -0.01 0.01 0.01 -0.02 0.01 0.01 -0.02 0.02 -0.02 -0.00 -0.01 -0.00 0.13 -0.09 0.12 -0.01 0.10 -0.07 0.01 0.02 0.01 0.07 -0.17 0.01 0.09 0.04 0.02 -0.00 0.01 -0.02 0.07 0.00 0.09 -0.11 -0.10 -0.00 0.14 -0.08 -0.01 0.03 0.17 -0.01 -0.14 0.07 -0.01 0.15 -0.16 -0.11 -0.15 -0.05 0.17 -0.24 -0.02 0.01 -0.20 -0.09 0.29 -0.00 -0.02 -0.11 -0.02 0.05 -0.04 0.00 -0.02 -0.03 0.01 0.22 0.11 0.02 0.02 0.00 0.16 -0.01 0.20 0.15 -0.03 -0.22 0.06 -0.15 -0.11 0.00 0.01 0.01 -0.02 0.01 -0.03 0.00 -0.02 0.02 -0.07 0.06 -0.39 0.01 -0.01 -0.00 -0.12 0.06 -0.01 -0.05 -0.11 -0.08 -0.02 0.01 -0.01 0.06 -0.22 -0.01 0.08 0.04 0.01 0.01 -0.00 0.01 -0.15 0.02 -0.20 0.01 0.17 0.10 0.00 0.04 -0.18 0.08 0.04 0.13 -0.11 -0.16 -0.10 0.08 -0.09 0.12 -0.06 0.22 -0.05 -0.05 0.24 -0.04 -0.08 0.24 0.08 -0.09 0.32 0.11 -0.05 0.14 0.05 0.04 -0.02 -0.02 0.10 -0.14 -0.03 -0.03 -0.02 0.00 0.12 0.05 0.04 -0.06 0.06 -0.02 -0.05 -0.20 -0.02 -0.00 -0.02 -0.01 0.27 -0.02 0.01 -0.00 -0.01 -0.01 -0.08 -0.16 0.30 0.00 0.03 0.02 0.17 -0.06 -0.10 0.06 0.20 0.06 -0.00 -0.02 -0.01 -0.12 0.21 0.08 -0.06 0.05 0.01 -0.01 0.00 -0.01 0.14 -0.01 0.15 -0.07 -0.14 -0.05 0.01 -0.02 0.02 -0.01 0.01 -0.02 0.00 0.03 0.02 -0.00 -0.00 -0.03 0.01 -0.05 0.02 -0.01 -0.04 -0.01 0.01 -0.05 0.02 -0.16 0.52 0.18 0.01 -0.03 -0.00 -0.00 -0.00 0.01 0.00 0.07 0.05 0.01 0.01 -0.00 -0.05 0.04 -0.12 -0.03 0.07 -0.09 -0.11 -0.01 0.17 -0.01 -0.05 -0.01 0.43 -0.06 -0.07 0.00 0.00 0.00 0.01 0.03 -0.09 -0.00 0.02 0.02 0.14 -0.06 -0.37 0.12 0.21 0.20 -0.01 -0.01 -0.01 -0.13 0.20 0.10 0.01 0.05 0.02 -0.01 -0.01 -0.00 0.14 -0.01 0.10 0.01 -0.10 -0.06 -0.02 0.00 0.00 -0.02 -0.03 0.02 0.01 -0.00 -0.02 -0.01 0.03 0.01 0.05 0.01 -0.01 0.03 0.06 0.03 0.01 -0.05 -0.03 -0.05 0.09 -0.13 0.03 -0.12 0.01 -0.00 -0.02 0.01 0.04 0.20 0.15 -0.02 0.01 -0.01 0.23 -0.06 0.42 0.04 0.07 -0.24 0.13 -0.30 -0.32 -0.01 -0.00 0.02 0.09 0.00 0.07 -0.01 0.00 0.01 0.04 0.15 -0.36 -0.00 -0.01 0.00 0.17 -0.10 0.12 -0.04 0.16 -0.17 0.00 -0.01 -0.01 -0.06 0.08 0.06 -0.02 0.09 0.03 0.01 0.01 -0.01 -0.11 -0.01 0.06 -0.21 -0.03 0.10 -0.00 -0.02 0.02 -0.02 0.02 -0.03 0.01 0.04 0.01 0.01 -0.01 -0.03 -0.00 -0.04 0.03 -0.01 -0.05 -0.01 0.02 -0.01 0.00 -0.04 0.07 -0.07 -0.03 0.11 0.07 -0.01 0.03 0.01 0.09 -0.19 -0.04 -0.00 0.01 -0.00 0.10 -0.05 0.25 -0.05 0.01 0.10 0.08 -0.15 -0.17 -0.01 -0.01 0.01 0.07 -0.00 0.03 0.01 -0.01 -0.05 -0.00 -0.24 0.74 -0.01 -0.00 -0.00 0.16 -0.10 0.15 -0.05 0.13 -0.16 -0.00 -0.00 -0.01 -0.04 0.04 0.04 0.00 0.05 0.02 0.00 0.01 -0.02 -0.02 -0.01 0.11 -0.15 -0.08 0.03 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.01 -0.00 -0.02 -0.00 0.00 0.01 -0.08 -0.08 0.07 0.10 0.05 -0.02 0.05 0.02 -0.01 0.06 -0.12 0.02 0.01 -0.01 -0.32 -0.23 -0.38 0.01 0.00 0.00 -0.10 -0.08 0.05 -0.14 -0.13 0.51 -0.02 0.02 0.04 -0.00 -0.01 -0.00 0.04 -0.01 0.01 0.01 0.00 0.04 -0.06 0.06 -0.33 -0.02 -0.01 -0.01 0.25 -0.15 0.21 -0.03 0.20 -0.14 -0.00 -0.00 -0.00 -0.02 0.03 0.02 -0.00 0.02 0.01 0.01 0.01 -0.02 -0.04 0.01 0.02 -0.11 -0.01 0.05 0.00 -0.01 0.00 -0.01 -0.00 0.00 0.01 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.01 0.03 0.03 0.01 -0.01 -0.01 -0.06 -0.01 0.03 -0.05 0.02 0.01 -0.00 -0.16 -0.10 -0.18 -0.02 0.01 0.01 0.24 0.02 0.26 -0.14 0.01 0.21 0.16 -0.19 -0.31 -0.01 0.01 0.00 -0.00 0.01 -0.01 0.01 -0.00 0.01 -0.02 0.00 -0.08 0.02 0.01 0.01 -0.26 0.17 -0.25 0.11 -0.25 0.34 -0.00 0.00 0.00 0.03 -0.05 -0.02 0.00 -0.01 -0.00 -0.03 0.00 -0.03 0.13 -0.03 0.28 0.19 -0.15 -0.24 -0.00 -0.01 -0.01 0.03 0.02 -0.01 -0.01 0.00 0.01 -0.01 -0.01 -0.01 -0.00 -0.02 0.01 -0.00 -0.02 0.03 -0.00 -0.02 0.02 0.07 -0.25 -0.02 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.03 0.02 -0.01 -0.00 -0.00 0.01 0.02 0.04 -0.08 -0.00 -0.00 0.01 0.09 0.13 -0.09 -0.01 0.02 -0.01 -0.14 0.03 0.18 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.00 -0.00 0.00 -0.07 0.04 -0.02 -0.02 -0.04 -0.03 0.04 -0.04 -0.01 -0.35 0.78 0.24 -0.15 0.05 0.02 -0.00 -0.00 0.00 0.02 -0.00 -0.00 0.04 0.00 -0.02 0.00 -0.01 0.01 -0.02 -0.01 0.00 0.00 0.01 0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.02 -0.11 0.28 0.23 -0.17 -0.20 -0.14 -0.00 0.02 0.01 -0.00 0.02 -0.02 -0.01 0.01 -0.00 -0.07 -0.00 -0.06 -0.02 -0.00 0.01 0.42 0.38 -0.30 0.31 -0.30 0.18 -0.01 -0.15 -0.04 0.00 0.00 0.00 0.01 0.01 0.05 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.06 -0.04 0.02 -0.04 0.08 -0.10 -0.00 -0.00 -0.00 0.01 -0.04 0.00 0.01 0.02 0.01 -0.02 -0.00 0.01 0.23 0.03 -0.14 0.01 0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.04 0.01 -0.06 -0.06 -0.06 0.02 -0.03 0.13 0.00 -0.02 0.02 -0.01 0.00 -0.00 0.06 0.01 0.06 0.01 0.01 -0.02 -0.05 -0.11 0.16 0.21 -0.16 0.01 -0.06 -0.10 0.06 -0.01 0.01 -0.02 -0.03 -0.00 -0.08 -0.00 0.00 -0.00 0.01 0.00 0.02 -0.02 -0.00 -0.06 0.22 -0.15 0.45 0.27 -0.07 0.65 0.01 -0.00 0.00 -0.04 0.09 0.02 -0.02 0.01 0.00 -0.00 0.01 0.01 -0.04 0.03 -0.09 0.12 0.05 -0.06 0.01 0.06 -0.01 0.27 0.13 -0.04 -0.10 -0.16 -0.26 -0.23 0.19 0.10 0.04 -0.24 0.22 -0.03 -0.17 0.25 -0.03 -0.34 0.07 -0.05 0.12 -0.07 -0.02 0.09 -0.03 -0.02 0.02 0.00 -0.14 0.08 -0.06 0.01 0.01 0.01 0.11 0.07 -0.02 0.19 -0.20 0.14 0.14 0.08 -0.18 -0.00 -0.01 0.01 0.08 -0.02 -0.10 0.01 -0.00 -0.00 -0.04 -0.05 0.07 -0.00 0.01 0.00 0.04 -0.01 -0.01 0.01 0.04 0.02 -0.01 0.02 0.01 0.13 -0.25 -0.09 0.04 -0.03 -0.01 -0.01 0.01 -0.00 0.12 0.01 0.02 0.03 -0.04 -0.06 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 -0.01 -0.00 -0.02 0.03 -0.01 0.06 -0.08 0.09 -0.07 0.02 -0.12 -0.07 0.12 -0.17 0.01 -0.06 0.03 -0.02 0.01 -0.01 0.18 -0.10 0.09 0.00 -0.02 0.02 -0.20 -0.13 0.00 0.29 -0.24 0.06 0.38 0.52 -0.38 -0.01 -0.02 0.02 0.11 -0.05 -0.20 -0.01 0.00 0.00 0.03 0.05 -0.06 -0.00 0.00 0.01 0.05 -0.03 -0.03 -0.01 0.03 -0.03 -0.00 0.00 0.01 0.02 0.00 -0.03 -0.00 -0.06 -0.02 -0.01 0.01 -0.00 0.09 0.01 0.04 0.05 -0.05 -0.07 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.02 0.03 -0.01 -0.01 -0.17 -0.11 -0.07 -0.16 0.05 -0.08 0.07 0.01 -0.05 0.01 -0.02 0.01 -0.01 0.12 -0.07 0.06 0.02 0.02 -0.02 -0.24 -0.25 0.25 0.40 -0.34 0.10 -0.22 -0.21 0.27 0.01 0.01 -0.01 -0.07 0.03 0.17 -0.01 0.00 0.00 0.02 0.04 -0.05 0.01 0.00 0.02 -0.12 0.08 -0.18 -0.09 0.00 -0.20 0.00 -0.00 -0.01 -0.02 0.01 0.03 -0.00 0.04 0.01 -0.01 0.02 -0.02 0.16 -0.01 0.23 -0.01 -0.14 -0.10 0.01 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.02 0.02 0.02 -0.13 -0.10 0.13 0.20 -0.06 0.01 -0.01 0.02 0.04 -0.17 0.09 -0.01 0.03 -0.02 0.58 -0.56 0.14 -0.01 0.01 0.01 0.19 0.17 -0.10 -0.12 0.06 0.08 -0.04 -0.12 0.00 0.00 0.00 -0.00 -0.00 0.01 0.09 -0.02 0.02 0.01 0.07 0.13 -0.19 -0.00 -0.00 -0.00 0.01 -0.01 0.03 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.03 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.06 0.05 0.04 -0.01 0.06 -0.12 0.28 0.02 0.02 -0.02 -0.03 -0.02 -0.08 -0.01 0.01 -0.01 -0.01 0.08 -0.05 -0.11 0.16 -0.05 -0.05 -0.04 -0.19 0.04 -0.12 0.03 0.01 -0.02 0.00 0.02 -0.01 0.00 0.03 -0.08 -0.04 -0.01 -0.01 -0.01 0.05 -0.01 0.06 -0.06 0.03 0.01 -0.10 -0.11 0.09 -0.00 0.01 0.02 -0.09 -0.08 -0.74 0.00 0.00 -0.00 0.01 0.01 0.02 0.00 0.00 -0.00 -0.04 0.04 -0.11 -0.00 -0.01 -0.01 0.01 0.00 0.02 -0.05 0.25 -0.01 -0.05 -0.15 -0.04 0.01 -0.00 -0.01 0.01 -0.01 0.04 -0.22 -0.03 0.12 0.04 -0.07 0.17 0.01 0.01 -0.01 -0.02 -0.01 -0.05 -0.01 0.01 -0.01 -0.01 0.06 -0.04 0.02 -0.10 -0.18 0.08 0.10 0.03 -0.03 0.09 -0.02 -0.00 0.02 -0.01 0.00 -0.02 -0.00 -0.09 0.14 0.01 -0.01 -0.01 0.02 -0.04 0.02 -0.08 0.06 -0.03 -0.06 0.09 0.09 -0.12 -0.00 -0.01 -0.03 0.09 0.08 0.76 0.00 -0.00 -0.00 -0.00 -0.03 0.07 -0.01 -0.01 -0.00 0.05 -0.04 0.09 0.01 0.06 0.02 -0.01 -0.01 -0.03 0.00 -0.15 0.04 0.06 0.19 0.06 -0.01 -0.00 0.01 -0.01 0.01 -0.04 0.30 0.04 -0.17 -0.01 -0.05 0.00 0.02 0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.02 -0.00 -0.01 -0.07 0.32 0.56 -0.21 -0.22 -0.24 -0.01 0.03 0.00 0.01 -0.03 0.01 0.03 0.01 0.00 0.11 -0.20 -0.04 0.02 -0.00 -0.02 -0.19 -0.16 0.08 -0.22 0.16 0.04 0.00 0.12 0.04 0.00 -0.00 -0.01 0.03 0.04 0.33 -0.00 0.00 0.00 0.01 0.03 -0.06 0.01 0.00 -0.01 -0.06 0.04 -0.02 0.04 -0.06 0.10 -0.00 -0.00 -0.01 0.01 -0.07 0.01 0.03 0.07 0.02 0.01 -0.00 -0.01 -0.04 -0.01 0.05 -0.21 -0.02 0.12 0.04 0.29 0.11 -0.05 -0.04 0.00 -0.02 -0.04 -0.06 0.04 -0.06 -0.03 0.00 -0.03 0.03 -0.01 -0.08 -0.24 -0.07 -0.04 -0.21 -0.01 0.01 -0.01 0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.06 -0.00 -0.03 -0.00 -0.00 0.01 0.03 0.06 -0.10 0.06 -0.03 0.00 0.06 0.14 -0.03 -0.00 -0.00 -0.01 0.03 0.02 0.24 -0.00 0.00 0.00 0.00 -0.02 0.04 0.02 0.01 -0.02 -0.14 0.11 -0.10 0.10 -0.14 0.23 0.00 -0.00 -0.01 -0.02 -0.01 0.02 0.01 0.07 0.02 0.02 -0.00 -0.01 0.05 -0.01 0.04 -0.63 -0.07 0.35 -0.01 0.17 0.07 -0.02 -0.02 -0.00 -0.01 -0.02 -0.03 0.03 -0.04 -0.02 0.00 -0.03 0.01 -0.06 0.15 0.17 -0.15 -0.14 -0.22 0.01 -0.01 0.01 0.00 -0.01 -0.00 0.02 0.00 0.01 0.03 -0.02 0.00 0.01 0.01 -0.01 -0.10 -0.10 0.10 -0.20 0.17 -0.03 -0.03 -0.08 0.03 0.00 0.00 0.01 -0.02 -0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 0.02 0.12 -0.08 0.03 -0.09 0.17 -0.25 0.01 -0.00 0.01 -0.02 0.05 -0.00 -0.01 -0.02 -0.00 -0.02 -0.00 0.01 -0.07 -0.00 -0.01 0.65 0.08 -0.36 0.50 -0.00 -0.11 -0.15 -0.07 0.03 -0.03 -0.00 -0.01 -0.10 0.08 0.04 0.01 -0.01 0.00 -0.31 0.37 -0.26 -0.18 -0.32 0.33 -0.00 -0.01 -0.02 -0.02 0.03 0.03 0.01 0.02 -0.01 0.14 -0.15 0.02 0.01 -0.01 0.01 -0.11 -0.08 0.01 -0.11 0.08 0.02 0.10 0.14 -0.07 -0.00 -0.00 0.00 0.01 0.00 -0.02 -0.01 0.00 0.00 0.02 -0.02 0.05 -0.00 -0.00 0.00 0.02 -0.01 0.01 -0.01 0.03 -0.03 -0.00 -0.00 -0.00 -0.02 0.08 0.03 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.00 0.00 0.11 0.02 -0.06 0.03 0.06 0.06 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.02 -0.02 -0.06 0.12 0.03 0.57 0.28 0.20 0.66 0.01 -0.02 0.01 0.01 -0.02 0.01 -0.02 0.00 -0.02 0.07 -0.00 0.06 0.00 0.00 -0.02 -0.03 -0.06 0.09 0.17 -0.15 0.04 -0.07 -0.06 0.08 0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.03 0.02 -0.05 -0.00 0.00 -0.02 0.00 -0.00 0.00 -0.01 0.02 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.01 0.04 -0.00 0.05 -0.03 -0.01 0.00 -0.12 0.01 0.03 0.02 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.04 -0.01 -0.01 -0.32 0.44 -0.41 -0.05 -0.36 0.55 -0.01 0.02 -0.01 0.01 -0.05 0.00 0.00 0.01 -0.02 0.15 -0.09 0.04 0.01 -0.01 0.01 -0.09 -0.04 -0.03 -0.06 0.00 0.09 0.08 0.09 -0.06 0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.00 0.00 0.00 -0.01 0.01 -0.03 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.02 0.01 -0.00 -0.00 0.00 0.01 -0.02 -0.01 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.00 0.01 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 0.01 -0.02 -0.00 0.02 -0.01 -0.05 -0.00 0.01 0.00 -0.10 0.31 0.08 0.01 -0.02 -0.04 0.18 0.37 0.31 -0.00 -0.00 -0.00 0.03 0.01 0.01 -0.23 -0.07 0.44 -0.00 0.02 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.03 -0.01 0.31 0.21 0.03 -0.00 -0.00 -0.00 -0.01 0.00 0.03 0.01 0.03 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.02 0.14 -0.04 0.24 0.02 0.35 0.14 -0.01 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 -0.02 0.04 0.00 0.00 0.02 0.03 0.05 -0.16 0.02 -0.16 0.47 0.11 -0.00 0.01 0.01 -0.06 -0.14 -0.10 0.00 0.00 0.00 -0.07 -0.01 -0.04 0.08 0.02 -0.14 0.01 -0.07 -0.04 -0.01 0.01 -0.00 0.21 0.00 -0.01 -0.02 -0.05 -0.00 0.48 0.33 0.00 0.00 0.01 0.01 0.04 -0.02 -0.05 -0.02 -0.07 -0.01 -0.01 -0.01 0.01 0.06 0.09 -0.16 0.15 0.07 0.04 0.01 0.02 0.02 -0.12 0.03 -0.21 -0.04 -0.32 -0.12 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.03 0.01 -0.00 -0.01 -0.02 0.11 -0.36 0.04 0.07 -0.21 -0.05 0.00 -0.01 -0.01 0.05 0.11 0.09 0.00 0.00 0.00 -0.05 -0.00 -0.05 -0.07 -0.02 0.12 0.01 -0.06 -0.03 -0.03 0.02 -0.00 0.48 0.01 -0.01 0.01 0.02 0.00 -0.22 -0.15 0.00 -0.00 0.01 0.00 0.05 -0.03 -0.02 -0.02 -0.06 -0.01 -0.04 -0.03 0.02 0.15 0.22 -0.41 0.39 0.19 0.10 -0.00 -0.00 -0.00 0.02 -0.01 0.04 -0.00 0.06 0.03 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.03 0.02 -0.03 -0.01 0.01 0.04 -0.02 0.07 -0.00 -0.03 0.10 0.02 -0.00 0.01 0.03 -0.14 -0.28 -0.23 -0.01 -0.01 -0.01 0.15 0.01 0.12 0.17 0.05 -0.35 -0.03 0.19 0.10 0.01 -0.00 -0.00 -0.08 -0.01 0.01 -0.00 -0.01 0.00 0.10 0.07 -0.01 0.00 -0.01 -0.01 -0.08 0.04 0.08 0.03 0.15 0.01 -0.02 -0.01 0.01 0.07 0.13 -0.22 0.20 0.09 0.05 -0.02 -0.02 -0.03 0.19 -0.05 0.32 0.10 0.48 0.17 -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 0.01 -0.00 0.00 -0.02 -0.02 0.03 0.11 -0.37 0.04 -0.01 0.03 0.00 -0.00 0.01 0.01 -0.05 -0.12 -0.09 0.01 0.01 0.01 -0.12 -0.02 -0.11 0.07 0.02 -0.14 0.03 -0.12 -0.08 -0.04 0.02 0.00 0.53 0.02 -0.03 -0.00 -0.00 0.00 0.03 0.02 -0.01 -0.00 -0.00 -0.00 0.02 -0.01 0.01 -0.01 -0.00 -0.00 0.02 0.03 -0.02 -0.11 -0.25 0.36 -0.33 -0.15 -0.09 -0.01 -0.01 -0.01 0.10 -0.02 0.16 0.03 0.25 0.10 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 0.04 -0.02 0.03 -0.01 -0.02 0.01 -0.02 0.08 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.02 0.03 0.03 -0.36 -0.04 -0.32 0.01 0.00 -0.01 0.10 -0.42 -0.26 0.01 -0.00 0.00 -0.10 -0.01 -0.05 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.04 -0.01 -0.39 0.21 0.18 0.13 0.47 0.07 -0.00 -0.00 0.00 0.02 0.05 -0.07 0.06 0.02 0.01 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.03 0.01 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 -0.02 0.00 -0.03 0.01 -0.01 0.00 0.04 -0.14 0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.03 0.05 0.04 -0.01 -0.02 -0.03 0.30 0.03 0.27 -0.04 -0.01 0.08 -0.08 0.36 0.21 -0.02 0.00 -0.00 0.25 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.04 -0.01 -0.39 0.21 0.16 0.11 0.49 0.02 0.00 0.01 -0.00 -0.01 -0.06 0.06 -0.05 -0.03 -0.02 0.00 0.01 0.01 -0.07 0.02 -0.13 0.01 -0.21 -0.10 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.05 0.02 -0.37 0.53 -0.05 0.40 0.57 -0.26 0.00 -0.01 -0.00 0.01 -0.01 -0.01 -0.01 -0.01 0.00 -0.05 0.09 0.03 0.01 -0.00 0.00 -0.08 -0.05 -0.01 0.06 -0.05 -0.02 0.04 0.03 -0.02 -0.00 0.00 0.00 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.02 0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 0.01 0.01 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.07 0.03 0.02 0.21 0.11 -0.04 0.77 -0.55 -0.16 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.03 -0.01 -0.06 0.00 0.00 -0.00 -0.00 0.03 0.01 0.00 -0.06 -0.05 0.02 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.04 -0.04 0.01 0.80 0.48 -0.21 -0.22 0.15 0.04 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.05 0.02 -0.01 -0.00 -0.00 0.06 0.01 0.03 0.00 0.00 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.01 0.02 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 -0.02 -0.01 0.01 0.02 -0.02 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.02 0.00 -0.00 -0.00 -0.03 0.06 0.02 0.04 0.06 0.03 -0.03 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.06 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.02 -0.05 0.00 0.08 -0.02 -0.02 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.02 -0.05 -0.01 0.08 0.00 0.47 -0.39 0.77 -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 0.04 0.03 -0.01 -0.01 0.01 0.00 -0.07 -0.03 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.09 0.02 -0.06 0.00 -0.06 0.01 0.00 0.97 -0.12 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.06 0.01 0.02 -0.01 -0.00 -0.00 0.07 0.03 0.04 0.01 0.02 -0.02 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.03 -0.03 0.05 -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 0.01 0.00 -0.00 0.05 -0.05 -0.02 -0.00 0.00 -0.00 -0.03 -0.02 0.00 0.02 0.01 -0.05 -0.53 -0.36 0.69 0.00 0.00 0.00 0.01 -0.01 -0.00 0.17 0.24 0.10 -0.03 0.01 -0.02 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 0.00 0.05 -0.08 -0.02 -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 -0.00 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 -0.00 0.00 0.00 -0.00 -0.06 -0.05 0.01 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.03 -0.02 0.04 -0.04 -0.00 -0.04 -0.14 0.22 0.09 -0.01 -0.01 -0.01 0.76 -0.17 0.50 -0.00 -0.01 0.00 0.00 0.09 -0.01 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.20 0.03 0.08 0.00 0.00 0.00 -0.02 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.02 -0.01 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 0.02 0.02 -0.00 0.02 -0.02 -0.01 0.00 -0.00 0.00 0.03 0.01 -0.00 -0.04 -0.05 -0.01 0.14 0.09 -0.20 -0.02 0.02 0.00 0.15 -0.28 -0.12 0.47 0.67 0.32 0.09 -0.01 0.07 0.00 -0.00 0.00 0.00 0.02 -0.00 0.00 -0.00 -0.00 -0.05 0.07 0.02 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.06 0.01 0.03 0.00 0.00 0.00 -0.03 -0.01 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.02 0.02 -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 -0.02 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.00 0.04 0.02 -0.05 0.02 -0.03 -0.01 -0.28 0.50 0.23 0.14 0.20 0.09 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.06 -0.01 0.00 -0.00 -0.00 -0.02 0.02 0.01 -0.03 0.01 0.02 -0.09 -0.12 0.01 0.64 -0.11 -0.27 0.01 0.00 0.00 -0.08 -0.03 -0.05 0.00 -0.01 0.02 0.00 -0.00 0.01 0.00 0.00 0.00 -0.06 0.06 -0.10 -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 -0.01 0.01 0.00 0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.02 0.01 -0.03 0.01 -0.01 -0.00 -0.10 0.19 0.09 0.06 0.09 0.04 -0.04 0.00 -0.03 -0.00 0.01 -0.00 -0.00 -0.10 0.01 -0.00 0.00 0.00 0.03 -0.04 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.10 0.02 0.04 -0.05 -0.02 -0.02 0.78 0.24 0.45 -0.01 0.06 -0.17 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 0.01 -0.01 -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 0.01 0.01 -0.00 0.00 -0.00 0.00 0.03 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.01 0.00 -0.03 -0.02 0.04 -0.03 0.03 0.00 0.27 -0.49 -0.23 -0.11 -0.15 -0.07 0.25 -0.04 0.18 -0.00 -0.00 0.00 0.00 0.05 -0.01 -0.00 0.00 0.00 0.01 -0.02 -0.01 -0.03 0.01 0.02 -0.09 -0.13 0.01 0.56 -0.10 -0.25 -0.01 -0.01 -0.00 0.22 0.07 0.12 -0.00 0.02 -0.05 -0.00 0.00 -0.00 0.00 -0.03 -0.01 0.01 -0.01 0.01 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 0.01 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.25 0.06 -0.01 0.01 0.01 -0.00 -0.07 -0.05 0.09 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.04 -0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.05 -0.01 -0.56 0.74 0.22 0.00 0.00 -0.00 -0.02 -0.03 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.05 0.01 0.03 -0.00 0.01 -0.01 -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 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.02 0.01 0.03 -0.01 0.02 -0.00 -0.00 -0.00 0.00 0.03 -0.00 0.00 -0.00 -0.00 -0.02 0.02 0.01 -0.04 -0.05 0.00 0.48 0.85 0.01 0.17 -0.06 -0.08 -0.00 -0.00 -0.00 0.03 0.01 0.02 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.02 0.00 0.02 -0.02 0.02 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 0.00 -0.00 0.91 0.29 -0.10 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 0.01 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 -0.06 -0.02 0.01 -0.03 0.05 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.03 0.01 0.01 0.00 -0.00 0.01 -0.05 -0.02 -0.02 0.01 0.09 -0.22 -0.00 0.00 0.00 0.00 -0.05 -0.01 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 0.00 -0.00 -0.00 0.00 0.00 0.20 0.06 -0.02 0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.01 0.00 0.00 -0.01 0.02 -0.06 0.14 0.05 0.05 -0.04 -0.34 0.85 -0.00 0.02 0.00 0.02 -0.30 -0.04 0.01 0.00 0.02 -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 0.00 0.00 0.11 0.04 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.02 -0.01 -0.01 -0.02 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.02 0.04 0.02 0.01 -0.01 -0.10 0.26 0.01 -0.06 -0.00 -0.05 0.94 0.13 -0.03 -0.00 -0.05 -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 -0.00 -0.00 -0.01 -0.00 0.00 0.92 0.29 -0.02 0.00 0.00 -0.00 -0.01 -0.00 0.01 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 -0.07 -0.01 0.01 0.12 -0.21 -0.06 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.02 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 5 9 9 9 8 1 1 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 298.150 1.00000 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 5 9 9 9 8 1 1 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 11.00931 18.99840 18.99840 18.99840 15.99491 1.00783 1.00783 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 212.08903 2800.78099 3616.26056 4980.68247 0.99972 -0.0236 1.5E-4 0.0236 0.99962 -0.01434 1.9E-4 0.01434 0.9999 asymmetric 1 0.03092 0.02395 0.01739 0.64437 0.49906 0.36235 569451.9 41.80 54.95 81.19 93.39 96.12 116.46 126.30 149.82 158.75 196.77 228.05 234.87 252.49 262.63 294.06 302.60 310.42 333.15 353.09 391.69 400.83 424.30 434.55 457.78 505.44 520.12 540.84 562.91 574.82 615.89 667.07 714.81 722.02 742.07 762.22 771.61 807.88 891.83 930.83 971.28 1014.90 1029.38 1072.53 1167.31 1193.61 1259.09 1380.97 1393.99 1428.88 1489.58 1497.19 1553.09 1744.96 1948.59 2341.44 2362.47 2367.87 2390.32 2411.13 2444.93 2476.85 2625.11 3589.51 4088.10 4636.21 4743.00 5063.79 5131.41 5183.54 5242.00 5260.38 5269.02 5334.06 5411.29 5576.82 5579.25 5579.57 5598.84 0.216893 0.239387 0.240331 0.166124 -936.298356 -936.275862 -936.274918 -936.349125 150.218 77.849 156.183 0.000 0.000 0.000 0.889 2.981 41.959 0.889 2.981 32.289 148.440 71.887 81.935 1 0.593 1.984 5.893 2 0.594 1.982 5.351 3 0.596 1.975 4.578 4 0.597 1.971 4.302 5 0.598 1.970 4.245 6 0.600 1.962 3.868 7 0.601 1.958 3.709 8 0.605 1.946 3.375 9 0.606 1.941 3.263 10 0.614 1.917 2.849 11 0.621 1.893 2.568 12 0.623 1.888 2.512 13 0.627 1.873 2.376 14 0.630 1.864 2.302 15 0.640 1.834 2.093 16 0.642 1.825 2.041 17 0.645 1.817 1.994 18 0.653 1.793 1.867 19 0.660 1.770 1.763 20 0.675 1.724 1.582 21 0.679 1.713 1.542 22 0.689 1.683 1.446 23 0.694 1.670 1.406 24 0.705 1.639 1.319 25 0.728 1.573 1.160 26 0.736 1.552 1.116 27 0.747 1.521 1.056 28 0.759 1.489 0.995 29 0.766 1.471 0.964 30 0.790 1.409 0.865 31 0.821 1.331 0.756 32 0.852 1.257 0.666 33 0.857 1.246 0.654 34 0.871 1.215 0.620 35 0.885 1.184 0.588 36 0.891 1.170 0.573 37 0.917 1.115 0.521 38 0.980 0.990 0.417 0.387629e-76 -76.411583 -175.944173 0.224946e+24 23.352077 53.770145 0.125582e-90 -90.901074 -209.307458 1 0.712764e+01 0.852946 1.963981 2 0.541777e+01 0.733821 1.689685 3 0.366116e+01 0.563618 1.297779 4 0.317946e+01 0.502353 1.156712 5 0.308853e+01 0.489752 1.127696 6 0.254381e+01 0.405485 0.933663 7 0.234303e+01 0.369779 0.851447 8 0.196926e+01 0.294303 0.677658 9 0.185613e+01 0.268608 0.618494 10 0.148809e+01 0.172630 0.397495 11 0.127607e+01 0.105874 0.243783 12 0.123720e+01 0.092440 0.212850 13 0.114626e+01 0.059284 0.136506 14 0.109935e+01 0.041136 0.094719 15 0.973936e+00 -0.011470 -0.026410 16 0.944244e+00 -0.024916 -0.057371 17 0.918412e+00 -0.036962 -0.085109 18 0.850020e+00 -0.070571 -0.162496 19 0.797013e+00 -0.098535 -0.226884 20 0.709085e+00 -0.149302 -0.343780 21 0.690627e+00 -0.160757 -0.370156 22 0.646721e+00 -0.189283 -0.435841 23 0.628954e+00 -0.201381 -0.463697 24 0.591462e+00 -0.228073 -0.525158 25 0.524751e+00 -0.280047 -0.644831 26 0.506514e+00 -0.295409 -0.680203 27 0.482368e+00 -0.316622 -0.729049 28 0.458468e+00 -0.338691 -0.779865 29 0.446287e+00 -0.350385 -0.806792 30 0.407654e+00 -0.389709 -0.897338 31 0.365752e+00 -0.436813 -1.005798 32 0.331742e+00 -0.479199 -1.103396 33 0.326978e+00 -0.485481 -1.117861 34 0.314173e+00 -0.502831 -1.157812 35 0.301949e+00 -0.520067 -1.197499 36 0.296457e+00 -0.528038 -1.215852 37 0.276388e+00 -0.558481 -1.285951 38 0.235963e+00 -0.627157 -1.444082 0.728764e+09 8.862587 20.406860 1 0.764516e+01 0.883387 2.034073 2 0.594080e+01 0.773845 1.781843 3 0.419514e+01 0.622746 1.433927 4 0.371854e+01 0.570372 1.313330 5 0.362874e+01 0.559756 1.288887 6 0.309248e+01 0.490307 1.128975 7 0.289579e+01 0.461767 1.063258 8 0.253174e+01 0.403420 0.928909 9 0.242230e+01 0.384227 0.884716 10 0.206985e+01 0.315938 0.727475 11 0.187053e+01 0.271964 0.626221 12 0.183441e+01 0.263497 0.606725 13 0.175057e+01 0.243179 0.559939 14 0.170771e+01 0.232415 0.535155 15 0.159478e+01 0.202702 0.466738 16 0.156846e+01 0.195472 0.450091 17 0.154570e+01 0.189124 0.435475 18 0.148617e+01 0.172069 0.396203 19 0.144087e+01 0.158624 0.365245 20 0.136764e+01 0.135972 0.313088 21 0.135262e+01 0.131177 0.302045 22 0.131746e+01 0.119739 0.275709 23 0.130348e+01 0.115105 0.265039 24 0.127449e+01 0.105335 0.242542 25 0.122482e+01 0.088072 0.202794 26 0.121173e+01 0.083405 0.192047 27 0.119475e+01 0.077277 0.177938 28 0.117838e+01 0.071284 0.164136 29 0.117020e+01 0.068261 0.157178 30 0.114512e+01 0.058851 0.135511 31 0.111950e+01 0.049022 0.112878 32 0.110004e+01 0.041410 0.095350 33 0.109742e+01 0.040374 0.092965 34 0.109051e+01 0.037631 0.086647 35 0.108410e+01 0.035069 0.080750 36 0.108128e+01 0.033938 0.078146 37 0.107131e+01 0.029913 0.068878 38 0.105288e+01 0.022380 0.051531 0.100000e+01 0.000000 0.000000 0.121403e+09 8.084231 18.614630 0.254249e+07 6.405259 14.748655 as ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.4446 2.5579 2.1433 3.6364 -55.0124 -67.9425 -83.9345 3.3843 0.3650 -4.9758 13.9507 1.0206 -14.9713 3.3843 0.3650 -4.9758 -8.7465 57.7254 5.2582 2.1909 -5.7205 30.7341 4.8777 -22.8307 17.1026 -9.9952 -1257.8929 -1033.7897 -565.8094 207.6091 -59.3606 -32.2608 -23.6273 19.9981 -21.3578 -507.3589 -402.4119 -311.9803 -37.6871 6.3611 -25.7729 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -936.5152492 3.14E-9 2.058E-5 0.2168928 0.2393872 -936.275862 -936.2749178 -936.3491254 -0.8829867,-5.1781135,6.0611002,3.6842881,-5.1387964,7.998051 C01 [X(B1F3H16O8)] -0.7507258 0.2275877 -1.1964185 1.978087 0.0834277 -0.0661785 0.0964979 1.7777077 0.1214911 -0.0991832 0.1030841 1.9207559 -0.5951442 0.0614656 0.0939774 0.0671123 -0.6718235 -0.3798363 0.0745356 -0.3204575 -0.9355354 -0.6351891 0.0698714 -0.215901 0.0841634 -0.6110527 0.2108754 -0.1830112 0.1688731 -0.9280814 -1.0955923 0.0850944 0.2203862 0.0896546 -0.4583148 -0.0316121 0.2361382 -0.0330495 -0.6854455 -1.1730431 -0.1496356 0.1574555 -0.2071925 -0.9971944 -0.2428421 0.1469611 -0.2277518 -0.8854764 0.2859805 0.060006 0.1461759 0.061581 0.6189445 0.4528607 0.1469805 0.4748152 0.9307452 1.2979644 -0.1566608 -0.3254183 -0.1948613 0.2676369 0.0435483 -0.2764304 0.0204848 0.3787722 0.2389094 0.0187702 0.0762931 -0.0077832 0.3073544 -0.0144137 0.0255899 -0.0228365 0.2719133 0.2970846 -0.0453806 -0.0580621 -0.0173006 0.3232877 -0.0400253 -0.00923 -0.0527372 0.2240048 -1.0350209 -0.0174917 0.1309282 -0.0113009 -0.7149234 -0.230724 0.0862354 -0.1968463 -0.8000621 0.2996815 0.0943044 -0.0044804 0.0670838 0.6824847 0.253081 -0.0220569 0.2269831 0.3838724 -0.7354604 -0.0638236 0.0380681 -0.0594237 -0.7773234 -0.1679644 0.0854994 -0.1891437 -0.9100701 0.5563833 -0.0992904 -0.0060818 -0.0870464 0.3713419 0.0164426 -0.0316753 0.0212892 0.2355658 0.327549 0.0593809 0.0760624 0.0655896 0.2650189 0.1236906 0.0670625 0.1161735 0.6710096 0.3752208 0.0772022 -0.2243424 0.0849516 0.3701595 -0.1297 -0.2051713 -0.1156682 0.5463452 -0.8480836 -0.1291446 -0.0854 -0.1119466 -0.7528352 0.0054452 -0.0497791 0.0037078 -0.7271053 0.6646548 0.2799164 0.2334142 0.2941254 0.4546841 0.1456399 0.2647178 0.151368 0.3861726 -0.6289926 0.0428771 0.108537 0.0440941 -0.8325341 -0.0888152 0.0734408 -0.0355315 -0.5048714 0.4730822 -0.1260709 -0.1446287 -0.1103978 0.3758613 0.0589761 -0.1090903 0.0221769 0.2993015 -0.7117483 -0.0686477 0.1303188 -0.0527575 -0.7493379 0.0860375 0.1336973 0.0800575 -0.7539625 0.3135167 -0.0077818 0.0929008 0.0153739 0.3281428 0.0073127 0.1052152 0.0002159 0.4563047 0.4362325 -0.1332903 -0.0847938 -0.1781034 0.3767546 0.0536539 -0.1179088 0.0500092 0.3651884 -0.858387 -0.1312209 -0.0203257 -0.1292654 -0.4812028 0.0020541 -0.0062203 0.0033369 -0.7391284 0.3929747 -0.0003085 -0.1088202 0.0017203 0.2451905 -0.0772244 -0.1648713 -0.0362992 0.6266567 0.3591265 0.0158022 -0.0332926 0.001302 0.2035186 -0.0163327 -0.0399543 -0.0579389 0.2916398 -0.8016936 -0.079631 0.1551497 -0.1282688 -0.7719082 0.017902 0.1907798 0.0318407 -0.7721968 0.2596128 -0.0064934 -0.0314879 0.0309323 0.3097692 0.0361388 -0.0704476 0.0085221 0.243975 0.5622942 0.2667533 -0.2504538 0.2914657 0.5405931 -0.2156597 -0.2518234 -0.1946777 0.4097121 87.5160248|2.1086899|78.1234081|-4.0516287|6.552936|86.5452104 0.000033233 -0.000006281 -0.000015293 -0.000000754 0.000012631 -0.000000055 0.000006930 -0.000007212 0.000011282 -0.000053141 -0.000014615 -0.000002665 0.000000538 0.000017800 0.000029571 -0.000012996 -0.000030644 -0.000051716 -0.000014184 -0.000001145 0.000006124 -0.000002729 0.000001860 0.000002527 0.000007263 0.000010752 -0.000006615 0.000015280 -0.000023027 -0.000020065 -0.000003544 0.000020142 0.000023557 0.000002298 0.000015027 0.000012608 0.000024267 -0.000014196 0.000005693 -0.000013872 0.000018282 -0.000002697 -0.000002523 -0.000007769 0.000011996 0.000028906 0.000034914 0.000007305 -0.000069268 -0.000032864 -0.000022331 -0.000002977 -0.000036491 -0.000004991 0.000006146 0.000010634 0.000001550 0.000034572 0.000014948 0.000020239 -0.000005431 -0.000002857 -0.000012976 -0.000021811 -0.000017079 -0.000019028 0.000053432 -0.000009779 0.000020982 0.000024770 0.000037405 0.000008243 -0.000017410 -0.000001437 -0.000007515 -0.000006570 0.000033978 -0.000011023 0.000008286 -0.000010828 0.000000812 -0.000018709 -0.000012149 0.000014482 195.8014096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;23;26;6;7;8;9;11;13;14;15;17;19;21;22;24;25;27;28/rA:28nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9697,.4369,1.0026;.8646,1.1874,2.1721;.3964,1.1528,-.075;2.293,.1106,.6871;.2173,-.8464,1.2173;.1551,-1.4497,.3981;-.762,-.6967,1.5256;1.0442,-1.3874,-3.8937;-1.942,2.4881,3.4568;-2.2129,-.4504,1.768;-2.295,.4812,2.0612;-.2644,-2.2919,-.8503;-1.2198,-2.1236,-.944;-2.6473,-.5445,.8985;.1435,-1.9555,-1.6727;.8091,-.9573,-3.0658;1.6226,-.4898,-2.7446;-1.7598,2.1183,2.5879;-.7937,2.044,2.5215;-1.3321,.7248,-2.2495;-.8265,1.133,-1.5298;-.6627,.2118,-2.7371;2.9131,.3116,-2.0006;2.8152,.2361,-1.0342;3.0099,1.2535,-2.1727;-2.8142,-1.0209,-.903;-3.6719,-1.2244,-1.2882;-2.3915,-.3214,-1.471; Gaussian 16 5-May-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 78 C1[X(BF3H16O8)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 195.8014096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;23;26;6;7;8;9;11;13;14;15;17;19;21;22;24;25;27;28/rA:28nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9697,.4369,1.0026;.8646,1.1874,2.1721;.3964,1.1527,-.075;2.293,.1106,.6871;.2173,-.8464,1.2173;.1551,-1.4497,.3981;-.762,-.6967,1.5256;1.0442,-1.3874,-3.8937;-1.942,2.4881,3.4568;-2.2129,-.4504,1.768;-2.295,.4812,2.0612;-.2644,-2.2919,-.8503;-1.2198,-2.1236,-.944;-2.6473,-.5445,.8985;.1435,-1.9555,-1.6727;.8091,-.9573,-3.0658;1.6226,-.4898,-2.7446;-1.7598,2.1183,2.5879;-.7937,2.044,2.5215;-1.3321,.7248,-2.2495;-.8265,1.133,-1.5298;-.6627,.2118,-2.7371;2.9131,.3116,-2.0006;2.8152,.2361,-1.0342;3.0099,1.2535,-2.1727;-2.8142,-1.0209,-.903;-3.6719,-1.2244,-1.2882;-2.3915,-.3214,-1.471; oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/8H2O/8h2O-BF3/gas/CONF4 #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction 8h2O-BF3/ CONF4 gas Redundant internal coordinates found in file. (old form). 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 11 19 19 19 16 1 1 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 3 1 1 1 0 1 1 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 372 A 360 A 360 560 372 56 56 952.5583755050 28 28 28 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0301588731 0.000000 1.393577 0.000000 1.414986 2.295527 0.000000 1.398944 2.324851 2.294354 0.000000 1.503014 2.338146 2.387155 2.346340 0.000000 2.142017 3.256481 2.656067 2.662469 1.019269 0.000000 2.134837 2.571656 2.706308 3.269250 1.037625 1.636936 0.000000 5.225651 6.592112 4.631989 4.978755 5.205665 4.383401 5.754077 0.000000 4.325301 3.349428 4.441163 5.590881 4.560314 5.409166 3.906906 8.829878 0.000000 3.391454 3.509445 3.574159 4.667518 2.523077 2.912461 1.491397 6.598625 3.399987 0.000000 3.432332 3.239409 3.501079 4.803634 2.964173 3.535110 2.005991 7.078364 2.469799 0.980059 0.000000 3.521690 4.744960 3.592102 3.830905 2.568334 1.563236 2.904738 3.434087 6.649287 3.747417 4.504439 0.000000 3.890981 5.001782 3.755290 4.471312 2.892755 2.036149 2.888791 3.790627 6.415323 3.337799 4.119752 0.974675 0.000000 3.749179 4.117530 3.618284 4.987974 2.898019 2.987133 1.992582 6.107679 4.029672 0.976445 1.589897 3.433656 2.815383 0.000000 3.682841 5.017985 3.504013 3.802365 3.096389 2.131712 3.554468 2.463118 7.099743 4.433561 5.081919 0.977688 1.555007 4.048576 0.000000 4.303611 5.660206 3.683443 4.174561 4.325180 3.559304 4.859796 0.962182 7.872906 5.723165 6.163642 2.800324 3.158930 5.275683 1.838505 0.000000 3.914848 5.249852 3.365789 3.547760 4.218788 3.598782 4.895300 1.568693 7.747937 5.922462 6.275803 3.224332 3.740433 5.613115 2.341965 0.991729 0.000000 3.576442 2.815467 3.559845 4.906043 3.818036 4.603595 3.169886 7.884490 0.961637 2.734211 1.801158 5.788591 5.546237 3.275995 6.194529 6.929898 6.832195 0.000000 2.828370 1.898877 2.992032 4.078081 3.328314 4.197033 2.916161 7.503875 1.546077 2.967119 2.215435 5.518080 5.436988 3.573489 5.870788 6.541769 6.323800 0.971222 0.000000 3.994606 4.958750 2.810558 4.705548 4.109474 3.734936 4.073950 3.579371 6.003539 4.277504 4.423640 3.492573 3.135371 3.640201 3.113563 2.842603 3.232728 5.052290 4.979206 0.000000 3.181818 4.070213 1.900657 3.961265 3.543200 3.369089 3.561986 3.929412 5.286463 3.912137 3.934063 3.536606 3.332223 3.467888 3.240437 3.066547 3.179197 4.335671 4.152634 0.969599 0.000000 4.086666 5.233035 3.015690 4.524628 4.187064 3.641261 4.359613 2.609369 6.721794 4.810139 5.075508 3.160203 2.996605 4.210519 2.545605 1.908123 2.390612 5.761518 5.570244 0.974188 1.527454 0.000000 3.579361 4.730244 3.278711 2.765718 4.354686 4.057433 5.192116 3.156443 7.621837 6.407730 6.606948 4.265881 4.912041 6.328986 3.594145 2.677970 1.691475 6.793815 6.098519 4.272512 3.857624 3.652280 0.000000 2.755870 3.871760 2.758867 1.803241 3.604193 3.459731 4.496645 3.734813 6.918916 5.797018 5.979634 3.988524 4.675272 5.846676 3.514064 3.094490 2.207813 6.131398 5.379259 4.349209 3.783148 3.872535 0.974272 0.000000 3.861535 4.845999 3.352800 3.162094 4.868268 4.697471 5.631022 3.714901 7.598419 6.760892 6.831125 5.003944 5.550285 6.683482 4.331745 3.244835 2.300195 6.794251 6.093273 4.374732 3.891776 3.859050 0.962400 1.539183 0.000000 4.480470 5.278835 3.964675 5.467428 3.703540 3.270081 3.196042 4.895620 5.664027 2.796613 3.363345 2.849535 1.939010 1.870912 3.196009 4.220262 4.833157 4.811777 5.020294 2.656649 2.997286 3.084291 5.981927 5.769602 6.380159 0.000000 5.436173 6.194327 4.865553 6.423713 4.641797 4.188079 4.082088 5.390453 6.268187 3.473937 4.002931 3.597534 2.634302 2.508822 3.903808 4.828063 5.540049 5.463940 5.786228 3.193475 3.702977 3.635501 6.799199 6.654320 7.181146 0.961958 0.000000 4.241587 5.113717 3.448777 5.175759 3.782640 3.354339 3.431588 4.337056 5.690180 3.246493 3.623524 2.965243 2.213284 2.393769 3.022808 3.631978 4.214626 4.777689 4.907960 1.680131 2.137240 2.208113 5.368409 5.254624 5.669881 0.995433 1.577458 0.000000 BF3H16O8 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 195.8014096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;23;26;6;7;8;9;11;13;14;15;17;19;21;22;24;25;27;28/rA:28nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4901,-1.4313,-.275;-1.715,-2.0607,-.0615;-.0653,-.8004,.9181;.5036,-2.3157,-.708;-.6904,-.4009,-1.3508;.1223,.1839,-1.5417;-1.4635,.2591,-1.1426;4.1065,1.0291,.0787;-4.4977,-.6419,1.1478;-2.437,1.3089,-.7251;-2.9707,.9248,.0016;1.182,1.3225,-1.6974;.7499,2.1075,-1.3139;-1.9003,2.0414,-.366;1.974,1.1632,-1.1467;3.1883,.7573,.1727;3.1916,-.2273,.2916;-3.5875,-.3319,1.1351;-3.0422,-1.0999,.8982;1.0164,1.6477,1.7761;.5546,.7958,1.7431;1.8852,1.4526,1.3809;2.9861,-1.8998,.4381;2.1552,-2.1544,-.0025;2.9235,-2.2638,1.3268;-.3559,3.04,-.0227;-.3983,3.9891,.1285;.1344,2.6382,.7448; 0.6443707 0.4990628 0.3623482 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. One-electron integral symmetry used in STVInt NBasis= 360 RedAO= T EigKep= 1.57D-04 NBF= 360 NBsUse= 360 1.00D-06 EigRej= -1.00D+00 NBFU= 360 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 372 372 372 372 372 MxSgAt= 28 MxSgA2= 28. 1 Closed 1 1 1 -936.515249201289 -936.515249201 1 9.336484913921e+02 -4.126107603497e+03 1.303415646271e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1415293450 LenY= 1415154625 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. Fock matrices will be formed incrementally for 20 cycles. PT72.100S Fri May 5 10:48:46 2023 -24.65813 -24.65544 -24.65519 -19.17188 -19.15692 -19.15134 -19.15127 -19.14476 -19.13984 -19.13713 -19.13464 -6.87696 -1.21509 -1.17346 -1.16822 -1.07483 -1.05193 -1.04357 -1.03764 -1.03498 -1.02730 -1.02236 -1.01719 -0.60413 -0.58766 -0.57403 -0.56905 -0.56439 -0.56108 -0.55518 -0.55094 -0.54972 -0.53298 -0.51342 -0.50733 -0.46289 -0.44716 -0.44163 -0.43709 -0.42920 -0.41877 -0.41293 -0.40858 -0.40670 -0.40363 -0.39067 -0.38706 -0.38207 -0.37509 -0.35457 -0.35008 -0.34580 -0.33994 -0.33872 -0.33490 -0.33048 -0.01777 0.00215 0.01251 0.02937 0.04037 0.05965 0.06414 0.07826 0.08765 0.08818 0.10105 0.11406 0.12279 0.12796 0.13000 0.13867 0.14334 0.14728 0.15220 0.16102 0.16742 0.17193 0.17519 0.18704 0.19144 0.19532 0.19705 0.19827 0.21210 0.21440 0.21843 0.22661 0.23069 0.23347 0.23833 0.24369 0.24852 0.25180 0.25868 0.26201 0.26409 0.27458 0.28066 0.28342 0.29085 0.29562 0.29814 0.30496 0.31142 0.31672 0.32897 0.33510 0.34218 0.35215 0.36404 0.38020 0.38747 0.39323 0.41097 0.43222 0.43596 0.44774 0.45369 0.46827 0.47632 0.48221 0.49330 0.49905 0.52121 0.52549 0.53035 0.54063 0.54097 0.55369 0.56351 0.56963 0.58333 0.58835 0.59394 0.60162 0.61315 0.63383 0.64431 0.64847 0.65428 0.67064 0.69649 0.78776 0.91283 0.92427 0.93798 0.94132 0.95493 0.95973 0.96601 0.97588 0.99192 1.00374 1.01121 1.01362 1.02919 1.03729 1.03931 1.04161 1.04723 1.05911 1.06387 1.07075 1.08465 1.09296 1.11244 1.12154 1.14387 1.16131 1.20507 1.23452 1.24956 1.25146 1.26888 1.27288 1.28132 1.30112 1.31056 1.31913 1.32568 1.32952 1.33877 1.34982 1.36795 1.37946 1.38082 1.39397 1.39801 1.40338 1.41781 1.43131 1.44250 1.45396 1.46313 1.47203 1.48745 1.49154 1.50752 1.51950 1.53511 1.54541 1.55331 1.56225 1.57626 1.59679 1.60402 1.64179 1.65665 1.66042 1.68082 1.68888 1.69909 1.70860 1.73478 1.73784 1.77286 1.78030 1.81415 1.83868 1.85839 1.94225 1.98654 2.00907 2.01622 2.02273 2.02867 2.06794 2.12361 2.16256 2.18061 2.18767 2.21604 2.22780 2.24196 2.26578 2.29862 2.32002 2.34675 2.35775 2.37798 2.39738 2.42006 2.43483 2.47936 2.50160 2.51225 2.52213 2.63195 2.63523 2.65825 2.67766 2.68747 2.70073 2.71584 2.73838 2.80842 2.83755 2.85663 2.89585 3.05683 3.06658 3.09307 3.10172 3.11166 3.11378 3.11490 3.12443 3.13364 3.14886 3.16131 3.16983 3.17854 3.19812 3.22629 3.28289 3.29068 3.29642 3.30324 3.30735 3.31542 3.34179 3.35576 3.44214 3.62652 3.65727 3.66637 3.68082 3.70666 3.71254 3.73473 3.77052 3.79005 3.79552 3.81161 3.81779 3.82573 3.83455 3.86821 3.87665 3.89176 3.89494 3.89916 3.90519 3.91863 3.92037 3.92912 3.95766 3.97064 4.08193 4.23834 4.25563 4.39013 4.65340 4.66459 4.96169 4.97721 4.98322 4.98372 4.99319 5.00277 5.05196 5.10167 5.32548 5.36579 5.37327 5.38110 5.40542 5.43903 5.45858 5.54707 5.62150 5.62324 5.63644 5.64779 5.65444 5.66966 5.70543 5.73798 6.33105 6.33921 6.39050 6.41591 6.44395 6.48065 6.48789 6.65911 6.67835 14.56292 49.86102 49.86743 49.88340 49.89381 49.89632 49.92261 49.93456 49.97094 66.82187 66.83287 66.85514 1-A. Mulliken charges: 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 B F F F O H H H H O H O H H H O H O H O H H O H H O H H 0.929941 -0.368435 -0.418463 -0.374028 -0.818448 0.497605 0.504028 0.305967 0.279119 -0.698730 0.389933 -0.628899 0.311638 0.373739 0.368102 -0.776886 0.433212 -0.598950 0.301577 -0.566771 0.274622 0.333761 -0.596492 0.313756 0.267521 -0.748376 0.316081 0.393873 -0.00000 1.4446 2.5579 2.1433 3.6364 -55.0124 -67.9425 -83.9345 3.3843 0.3650 -4.9758 13.9507 1.0206 -14.9713 3.3843 0.3650 -4.9758 -8.7465 57.7254 5.2582 2.1909 -5.7205 30.7341 4.8777 -22.8307 17.1026 -9.9952 -1257.8931 -1033.7897 -565.8094 207.6091 -59.3606 -32.2608 -23.6273 19.9981 -21.3578 -507.3589 -402.4119 -311.9803 -37.6871 6.3611 -25.7729 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-CIBELES2-141 LAMSABHI 05-May-2023 0 Wavefunction 8h2O-BF3/ CONF4 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-936.5152492 RMSD=3.044e-09 Dipole=-0.750726,0.2275877,-1.1964183 Quadrupole=-0.8829875,-5.1781141,6.0611016,3.6842865,-5.1387904,7.9980517 PG=C01 [X(B1F3H16O8)] 0 0.9697107175 0.4368973013 1.0025549824 0 0.8645537075 1.1874103079 2.1720546858 0 0.3963773236 1.1527502425 -0.074954987 0 2.2929982982 0.1105954197 0.6871485836 0 0.2173199057 -0.8464025016 1.2172665611 0 0.1550837348 -1.449693191 0.3980737232 0 -0.7620468212 -0.6966570806 1.5256231324 0 1.044245821 -1.3874115878 -3.8937461986 0 -1.941954337 2.4880570163 3.4567709743 0 -2.2128690212 -0.450391196 1.7679720854 0 -2.2949868683 0.4811669289 2.0611830982 0 -0.2643786374 -2.291868875 -0.8503244966 0 -1.2198397735 -2.1236390835 -0.9440451625 0 -2.6472519267 -0.5444814117 0.8985451154 0 0.1435407937 -1.955515563 -1.6727244507 0 0.8091011624 -0.957284249 -3.0658023696 0 1.6226175772 -0.4898151528 -2.7445704097 0 -1.7598117951 2.1183247105 2.587939857 0 -0.7937195156 2.0440021039 2.5215034902 0 -1.3320539695 0.7248254772 -2.2494988103 0 -0.8264916777 1.1330203985 -1.5298424273 0 -0.6627201304 0.2117558108 -2.7371400511 0 2.9131376031 0.3115704114 -2.0006446481 0 2.8152245923 0.2360828264 -1.0342489203 0 3.0099352043 1.253509731 -2.1726747696 0 -2.8142472193 -1.0209443466 -0.9029562177 0 -3.671871903 -1.224409709 -1.2882422376 0 -2.3914581789 -0.3213579899 -1.4710360247 Gaussian 16 5-May-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 78 C1[X(BF3H16O8)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 195.8014096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;23;26;6;7;8;9;11;13;14;15;17;19;21;22;24;25;27;28/rA:28nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9697,.4369,1.0026;.8646,1.1874,2.1721;.3964,1.1527,-.075;2.293,.1106,.6871;.2173,-.8464,1.2173;.1551,-1.4497,.3981;-.762,-.6967,1.5256;1.0442,-1.3874,-3.8937;-1.942,2.4881,3.4568;-2.2129,-.4504,1.768;-2.295,.4812,2.0612;-.2644,-2.2919,-.8503;-1.2198,-2.1236,-.944;-2.6473,-.5445,.8985;.1435,-1.9555,-1.6727;.8091,-.9573,-3.0658;1.6226,-.4898,-2.7446;-1.7598,2.1183,2.5879;-.7937,2.044,2.5215;-1.3321,.7248,-2.2495;-.8265,1.133,-1.5298;-.6627,.2118,-2.7371;2.9131,.3116,-2.0006;2.8152,.2361,-1.0342;3.0099,1.2535,-2.1727;-2.8142,-1.0209,-.903;-3.6719,-1.2244,-1.2882;-2.3915,-.3214,-1.471; oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/8H2O/8h2O-BF3/gas/CONF4 #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=41/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=20/1 9/41=20,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum 8h2O-BF3/ CONF4 gas Redundant internal coordinates found in file. (old form). 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 11 19 19 19 16 1 1 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 3 1 1 1 0 1 1 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 372 A 360 A 360 560 372 56 56 952.5583755050 28 28 28 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0301588731 0.000000 1.393577 0.000000 1.414986 2.295527 0.000000 1.398944 2.324851 2.294354 0.000000 1.503014 2.338146 2.387155 2.346340 0.000000 2.142017 3.256481 2.656067 2.662469 1.019269 0.000000 2.134837 2.571656 2.706308 3.269250 1.037625 1.636936 0.000000 5.225651 6.592112 4.631989 4.978755 5.205665 4.383401 5.754077 0.000000 4.325301 3.349428 4.441163 5.590881 4.560314 5.409166 3.906906 8.829878 0.000000 3.391454 3.509445 3.574159 4.667518 2.523077 2.912461 1.491397 6.598625 3.399987 0.000000 3.432332 3.239409 3.501079 4.803634 2.964173 3.535110 2.005991 7.078364 2.469799 0.980059 0.000000 3.521690 4.744960 3.592102 3.830905 2.568334 1.563236 2.904738 3.434087 6.649287 3.747417 4.504439 0.000000 3.890981 5.001782 3.755290 4.471312 2.892755 2.036149 2.888791 3.790627 6.415323 3.337799 4.119752 0.974675 0.000000 3.749179 4.117530 3.618284 4.987974 2.898019 2.987133 1.992582 6.107679 4.029672 0.976445 1.589897 3.433656 2.815383 0.000000 3.682841 5.017985 3.504013 3.802365 3.096389 2.131712 3.554468 2.463118 7.099743 4.433561 5.081919 0.977688 1.555007 4.048576 0.000000 4.303611 5.660206 3.683443 4.174561 4.325180 3.559304 4.859796 0.962182 7.872906 5.723165 6.163642 2.800324 3.158930 5.275683 1.838505 0.000000 3.914848 5.249852 3.365789 3.547760 4.218788 3.598782 4.895300 1.568693 7.747937 5.922462 6.275803 3.224332 3.740433 5.613115 2.341965 0.991729 0.000000 3.576442 2.815467 3.559845 4.906043 3.818036 4.603595 3.169886 7.884490 0.961637 2.734211 1.801158 5.788591 5.546237 3.275995 6.194529 6.929898 6.832195 0.000000 2.828370 1.898877 2.992032 4.078081 3.328314 4.197033 2.916161 7.503875 1.546077 2.967119 2.215435 5.518080 5.436988 3.573489 5.870788 6.541769 6.323800 0.971222 0.000000 3.994606 4.958750 2.810558 4.705548 4.109474 3.734936 4.073950 3.579371 6.003539 4.277504 4.423640 3.492573 3.135371 3.640201 3.113563 2.842603 3.232728 5.052290 4.979206 0.000000 3.181818 4.070213 1.900657 3.961265 3.543200 3.369089 3.561986 3.929412 5.286463 3.912137 3.934063 3.536606 3.332223 3.467888 3.240437 3.066547 3.179197 4.335671 4.152634 0.969599 0.000000 4.086666 5.233035 3.015690 4.524628 4.187064 3.641261 4.359613 2.609369 6.721794 4.810139 5.075508 3.160203 2.996605 4.210519 2.545605 1.908123 2.390612 5.761518 5.570244 0.974188 1.527454 0.000000 3.579361 4.730244 3.278711 2.765718 4.354686 4.057433 5.192116 3.156443 7.621837 6.407730 6.606948 4.265881 4.912041 6.328986 3.594145 2.677970 1.691475 6.793815 6.098519 4.272512 3.857624 3.652280 0.000000 2.755870 3.871760 2.758867 1.803241 3.604193 3.459731 4.496645 3.734813 6.918916 5.797018 5.979634 3.988524 4.675272 5.846676 3.514064 3.094490 2.207813 6.131398 5.379259 4.349209 3.783148 3.872535 0.974272 0.000000 3.861535 4.845999 3.352800 3.162094 4.868268 4.697471 5.631022 3.714901 7.598419 6.760892 6.831125 5.003944 5.550285 6.683482 4.331745 3.244835 2.300195 6.794251 6.093273 4.374732 3.891776 3.859050 0.962400 1.539183 0.000000 4.480470 5.278835 3.964675 5.467428 3.703540 3.270081 3.196042 4.895620 5.664027 2.796613 3.363345 2.849535 1.939010 1.870912 3.196009 4.220262 4.833157 4.811777 5.020294 2.656649 2.997286 3.084291 5.981927 5.769602 6.380159 0.000000 5.436173 6.194327 4.865553 6.423713 4.641797 4.188079 4.082088 5.390453 6.268187 3.473937 4.002931 3.597534 2.634302 2.508822 3.903808 4.828063 5.540049 5.463940 5.786228 3.193475 3.702977 3.635501 6.799199 6.654320 7.181146 0.961958 0.000000 4.241587 5.113717 3.448777 5.175759 3.782640 3.354339 3.431588 4.337056 5.690180 3.246493 3.623524 2.965243 2.213284 2.393769 3.022808 3.631978 4.214626 4.777689 4.907960 1.680131 2.137240 2.208113 5.368409 5.254624 5.669881 0.995433 1.577458 0.000000 BF3H16O8 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 195.8014096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;23;26;6;7;8;9;11;13;14;15;17;19;21;22;24;25;27;28/rA:28nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4901,-1.4313,-.275;-1.715,-2.0607,-.0615;-.0653,-.8004,.9181;.5036,-2.3157,-.708;-.6904,-.4009,-1.3508;.1223,.1839,-1.5417;-1.4635,.2591,-1.1426;4.1065,1.0291,.0787;-4.4977,-.6419,1.1478;-2.437,1.3089,-.7251;-2.9707,.9248,.0016;1.182,1.3225,-1.6974;.7499,2.1075,-1.3139;-1.9003,2.0414,-.366;1.974,1.1632,-1.1467;3.1883,.7573,.1727;3.1916,-.2273,.2916;-3.5875,-.3319,1.1351;-3.0422,-1.0999,.8982;1.0164,1.6477,1.7761;.5546,.7958,1.7431;1.8852,1.4526,1.3809;2.9861,-1.8998,.4381;2.1552,-2.1544,-.0025;2.9235,-2.2638,1.3268;-.3559,3.04,-.0227;-.3983,3.9891,.1285;.1344,2.6382,.7448; 0.6443707 0.4990628 0.3623482 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. One-electron integral symmetry used in STVInt NBasis= 360 RedAO= T EigKep= 1.57D-04 NBF= 360 NBsUse= 360 1.00D-06 EigRej= -1.00D+00 NBFU= 360 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 372 372 372 372 372 MxSgAt= 28 MxSgA2= 28. 1 Closed 1 1 1 -936.515249201289 -936.515249201 1 9.336484913921e+02 -4.126107603497e+03 1.303415646271e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1415293450 LenY= 1415154625 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. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 7.6689 161.67 0.0351 0.000 56 57 0.68817 -936.233423919 2 Singlet-A 7.9012 156.92 0.0531 0.000 53 58 -0.15412 53 59 0.11965 54 57 0.31366 55 57 0.51750 55 58 -0.25202 3 Singlet-A 7.9153 156.64 0.0186 0.000 52 57 -0.20930 53 57 -0.10856 54 57 0.55686 55 57 -0.27595 55 58 0.14836 4 Singlet-A 7.9464 156.03 0.0721 0.000 52 57 0.58609 52 58 0.21868 52 59 0.10407 54 57 0.24776 5 Singlet-A 7.9808 155.35 0.0297 0.000 52 57 -0.11557 53 57 0.51420 53 58 -0.32689 53 59 0.12922 55 57 -0.23969 55 59 0.11779 6 Singlet-A 8.1171 152.74 0.0172 0.000 50 57 0.28813 50 58 0.10770 51 57 0.55844 51 58 -0.13779 51 59 -0.18942 7 Singlet-A 8.1738 151.68 0.0663 0.000 50 57 0.58423 50 58 0.13533 50 60 0.11337 51 57 -0.25931 51 58 0.12466 51 59 0.11083 8 Singlet-A 8.3898 147.78 0.0047 0.000 53 57 0.38661 53 58 0.19849 53 59 -0.15413 55 57 0.24428 55 58 0.39133 55 59 -0.13977 56 58 -0.16152 9 Singlet-A 8.3939 147.71 0.0193 0.000 55 58 0.12510 56 58 0.63950 56 59 0.17825 56 60 0.10394 10 Singlet-A 8.5157 145.59 0.0030 0.000 53 57 -0.23967 53 58 -0.41424 53 59 0.13294 55 57 0.11116 55 58 0.45174 11 Singlet-A 8.6281 143.70 0.0131 0.000 51 57 -0.11741 54 58 0.62958 54 59 0.18430 54 60 0.10766 56 59 -0.13299 12 Singlet-A 8.6739 142.94 0.0076 0.000 54 58 0.15264 56 58 -0.17989 56 59 0.63583 13 Singlet-A 8.7661 141.44 0.0013 0.000 53 59 -0.18730 55 59 0.61529 55 60 0.10807 14 Singlet-A 8.7904 141.05 0.0015 0.000 52 57 -0.28389 52 58 0.49111 52 59 0.30515 52 60 -0.17989 55 59 0.13771 15 Singlet-A 8.8263 140.47 0.0100 0.000 51 57 0.26204 51 58 0.39530 51 59 0.27390 51 60 0.16197 53 58 -0.12733 54 58 0.12673 54 59 -0.27149 55 59 -0.13280 16 Singlet-A 8.9045 139.24 0.0044 0.000 49 57 -0.29805 51 58 0.20797 51 59 0.11316 53 59 -0.19908 54 58 -0.11775 54 59 0.49997 17 Singlet-A 8.9536 138.47 0.0009 0.000 51 58 0.21671 51 59 0.11065 53 58 0.28219 53 59 0.51638 54 59 0.19657 55 58 0.10774 18 Singlet-A 8.9828 138.02 0.0282 0.000 49 57 0.53857 50 58 0.19068 53 59 -0.20206 54 58 -0.11656 54 59 0.23969 19 Singlet-A 9.0095 137.62 0.0005 0.000 47 57 0.11061 49 57 -0.25585 50 57 -0.16450 50 58 0.37433 50 60 0.13592 52 58 -0.25580 52 59 0.26696 52 60 -0.24691 20 Singlet-A 9.0692 136.71 0.0051 0.000 50 57 -0.10142 50 58 0.44156 50 60 0.12319 52 58 0.29175 52 59 -0.35353 52 60 0.19419 PT5415.300S Fri May 5 11:00:04 2023 -24.65813 -24.65544 -24.65519 -19.17188 -19.15692 -19.15134 -19.15127 -19.14476 -19.13984 -19.13713 -19.13464 -6.87696 -1.21509 -1.17346 -1.16822 -1.07483 -1.05193 -1.04357 -1.03764 -1.03498 -1.02730 -1.02236 -1.01719 -0.60413 -0.58766 -0.57403 -0.56905 -0.56439 -0.56108 -0.55518 -0.55094 -0.54972 -0.53298 -0.51342 -0.50733 -0.46289 -0.44716 -0.44163 -0.43709 -0.42920 -0.41877 -0.41293 -0.40858 -0.40670 -0.40363 -0.39067 -0.38706 -0.38207 -0.37509 -0.35457 -0.35008 -0.34580 -0.33994 -0.33872 -0.33490 -0.33048 -0.01777 0.00215 0.01251 0.02937 0.04037 0.05965 0.06414 0.07826 0.08765 0.08818 0.10105 0.11406 0.12279 0.12796 0.13000 0.13867 0.14334 0.14728 0.15220 0.16102 0.16742 0.17193 0.17519 0.18704 0.19144 0.19532 0.19705 0.19827 0.21210 0.21440 0.21843 0.22661 0.23069 0.23347 0.23833 0.24369 0.24852 0.25180 0.25868 0.26201 0.26409 0.27458 0.28066 0.28342 0.29085 0.29562 0.29814 0.30496 0.31142 0.31672 0.32897 0.33510 0.34218 0.35215 0.36404 0.38020 0.38747 0.39323 0.41097 0.43222 0.43596 0.44774 0.45369 0.46827 0.47632 0.48221 0.49330 0.49905 0.52121 0.52549 0.53035 0.54063 0.54097 0.55369 0.56351 0.56963 0.58333 0.58835 0.59394 0.60162 0.61315 0.63383 0.64431 0.64847 0.65428 0.67064 0.69649 0.78776 0.91283 0.92427 0.93798 0.94132 0.95493 0.95973 0.96601 0.97588 0.99192 1.00374 1.01121 1.01362 1.02919 1.03729 1.03931 1.04161 1.04723 1.05911 1.06387 1.07075 1.08465 1.09296 1.11244 1.12154 1.14387 1.16131 1.20507 1.23452 1.24956 1.25146 1.26888 1.27288 1.28132 1.30112 1.31056 1.31913 1.32568 1.32952 1.33877 1.34982 1.36795 1.37946 1.38082 1.39397 1.39801 1.40338 1.41781 1.43131 1.44250 1.45396 1.46313 1.47203 1.48745 1.49154 1.50752 1.51950 1.53511 1.54541 1.55331 1.56225 1.57626 1.59679 1.60402 1.64179 1.65665 1.66042 1.68082 1.68888 1.69909 1.70860 1.73478 1.73784 1.77286 1.78030 1.81415 1.83868 1.85839 1.94225 1.98654 2.00907 2.01622 2.02273 2.02867 2.06794 2.12361 2.16256 2.18061 2.18767 2.21604 2.22780 2.24196 2.26578 2.29862 2.32002 2.34675 2.35775 2.37798 2.39738 2.42006 2.43483 2.47936 2.50160 2.51225 2.52213 2.63195 2.63523 2.65825 2.67766 2.68747 2.70073 2.71584 2.73838 2.80842 2.83755 2.85663 2.89585 3.05683 3.06658 3.09307 3.10172 3.11166 3.11378 3.11490 3.12443 3.13364 3.14886 3.16131 3.16983 3.17854 3.19812 3.22629 3.28289 3.29068 3.29642 3.30324 3.30735 3.31542 3.34179 3.35576 3.44214 3.62652 3.65727 3.66637 3.68082 3.70666 3.71254 3.73473 3.77052 3.79005 3.79552 3.81161 3.81779 3.82573 3.83455 3.86821 3.87665 3.89176 3.89494 3.89916 3.90519 3.91863 3.92037 3.92912 3.95766 3.97064 4.08193 4.23834 4.25563 4.39013 4.65340 4.66459 4.96169 4.97721 4.98322 4.98372 4.99319 5.00277 5.05196 5.10167 5.32548 5.36579 5.37327 5.38110 5.40542 5.43903 5.45858 5.54707 5.62150 5.62324 5.63644 5.64779 5.65444 5.66966 5.70543 5.73798 6.33105 6.33921 6.39050 6.41591 6.44395 6.48065 6.48789 6.65911 6.67835 14.56292 49.86102 49.86743 49.88340 49.89381 49.89632 49.92261 49.93456 49.97094 66.82187 66.83287 66.85514 1-A. Mulliken charges: 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 B F F F O H H H H O H O H H H O H O H O H H O H H O H H 0.929941 -0.368435 -0.418463 -0.374028 -0.818448 0.497605 0.504028 0.305967 0.279119 -0.698730 0.389933 -0.628899 0.311638 0.373739 0.368102 -0.776886 0.433212 -0.598950 0.301577 -0.566771 0.274622 0.333761 -0.596492 0.313756 0.267521 -0.748376 0.316081 0.393873 -0.00000 1.4446 2.5579 2.1433 3.6364 -55.0124 -67.9425 -83.9345 3.3843 0.3650 -4.9758 13.9507 1.0206 -14.9713 3.3843 0.3650 -4.9758 -8.7465 57.7254 5.2582 2.1909 -5.7205 30.7341 4.8777 -22.8307 17.1026 -9.9952 -1257.8931 -1033.7897 -565.8094 207.6091 -59.3606 -32.2608 -23.6273 19.9981 -21.3578 -507.3589 -402.4119 -311.9803 -37.6871 6.3611 -25.7729 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-CIBELES2-141 LAMSABHI 05-May-2023 0 Electronic spectrum 8h2O-BF3/CONF4 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-936.5152492 RMSD=3.044e-09 PG=C01 [X(B1F3H16O8)] 0 0.9697107175 0.4368973013 1.0025549824 0 0.8645537075 1.1874103079 2.1720546858 0 0.3963773236 1.1527502425 -0.074954987 0 2.2929982982 0.1105954197 0.6871485836 0 0.2173199057 -0.8464025016 1.2172665611 0 0.1550837348 -1.449693191 0.3980737232 0 -0.7620468212 -0.6966570806 1.5256231324 0 1.044245821 -1.3874115878 -3.8937461986 0 -1.941954337 2.4880570163 3.4567709743 0 -2.2128690212 -0.450391196 1.7679720854 0 -2.2949868683 0.4811669289 2.0611830982 0 -0.2643786374 -2.291868875 -0.8503244966 0 -1.2198397735 -2.1236390835 -0.9440451625 0 -2.6472519267 -0.5444814117 0.8985451154 0 0.1435407937 -1.955515563 -1.6727244507 0 0.8091011624 -0.957284249 -3.0658023696 0 1.6226175772 -0.4898151528 -2.7445704097 0 -1.7598117951 2.1183247105 2.587939857 0 -0.7937195156 2.0440021039 2.5215034902 0 -1.3320539695 0.7248254772 -2.2494988103 0 -0.8264916777 1.1330203985 -1.5298424273 0 -0.6627201304 0.2117558108 -2.7371400511 0 2.9131376031 0.3115704114 -2.0006446481 0 2.8152245923 0.2360828264 -1.0342489203 0 3.0099352043 1.253509731 -2.1726747696 0 -2.8142472193 -1.0209443466 -0.9029562177 0 -3.671871903 -1.224409709 -1.2882422376 0 -2.3914581789 -0.3213579899 -1.4710360247 Gaussian 16 5-May-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 78 C1[X(BF3H16O8)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 195.8014096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;23;26;6;7;8;9;11;13;14;15;17;19;21;22;24;25;27;28/rA:28nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9697,.4369,1.0026;.8646,1.1874,2.1721;.3964,1.1527,-.075;2.293,.1106,.6871;.2173,-.8464,1.2173;.1551,-1.4497,.3981;-.762,-.6967,1.5256;1.0442,-1.3874,-3.8937;-1.942,2.4881,3.4568;-2.2129,-.4504,1.768;-2.295,.4812,2.0612;-.2644,-2.2919,-.8503;-1.2198,-2.1236,-.944;-2.6473,-.5445,.8985;.1435,-1.9555,-1.6727;.8091,-.9573,-3.0658;1.6226,-.4898,-2.7446;-1.7598,2.1183,2.5879;-.7937,2.044,2.5215;-1.3321,.7248,-2.2495;-.8265,1.133,-1.5298;-.6627,.2118,-2.7371;2.9131,.3116,-2.0006;2.8152,.2361,-1.0342;3.0099,1.2535,-2.1727;-2.8142,-1.0209,-.903;-3.6719,-1.2244,-1.2882;-2.3915,-.3214,-1.471; oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/8H2O/8h2O-BF3/gas/CONF4 #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=re 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point 8h2O-BF3/ CONF4 gas Redundant internal coordinates found in file. (old form). 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 11 19 19 19 16 1 1 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 3 1 1 1 0 1 1 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 684 A 612 A 612 872 684 56 56 952.5583755050 28 28 28 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0301588731 0.000000 1.393577 0.000000 1.414986 2.295527 0.000000 1.398944 2.324851 2.294354 0.000000 1.503014 2.338146 2.387155 2.346340 0.000000 2.142017 3.256481 2.656067 2.662469 1.019269 0.000000 2.134837 2.571656 2.706308 3.269250 1.037625 1.636936 0.000000 5.225651 6.592112 4.631989 4.978755 5.205665 4.383401 5.754077 0.000000 4.325301 3.349428 4.441163 5.590881 4.560314 5.409166 3.906906 8.829878 0.000000 3.391454 3.509445 3.574159 4.667518 2.523077 2.912461 1.491397 6.598625 3.399987 0.000000 3.432332 3.239409 3.501079 4.803634 2.964173 3.535110 2.005991 7.078364 2.469799 0.980059 0.000000 3.521690 4.744960 3.592102 3.830905 2.568334 1.563236 2.904738 3.434087 6.649287 3.747417 4.504439 0.000000 3.890981 5.001782 3.755290 4.471312 2.892755 2.036149 2.888791 3.790627 6.415323 3.337799 4.119752 0.974675 0.000000 3.749179 4.117530 3.618284 4.987974 2.898019 2.987133 1.992582 6.107679 4.029672 0.976445 1.589897 3.433656 2.815383 0.000000 3.682841 5.017985 3.504013 3.802365 3.096389 2.131712 3.554468 2.463118 7.099743 4.433561 5.081919 0.977688 1.555007 4.048576 0.000000 4.303611 5.660206 3.683443 4.174561 4.325180 3.559304 4.859796 0.962182 7.872906 5.723165 6.163642 2.800324 3.158930 5.275683 1.838505 0.000000 3.914848 5.249852 3.365789 3.547760 4.218788 3.598782 4.895300 1.568693 7.747937 5.922462 6.275803 3.224332 3.740433 5.613115 2.341965 0.991729 0.000000 3.576442 2.815467 3.559845 4.906043 3.818036 4.603595 3.169886 7.884490 0.961637 2.734211 1.801158 5.788591 5.546237 3.275995 6.194529 6.929898 6.832195 0.000000 2.828370 1.898877 2.992032 4.078081 3.328314 4.197033 2.916161 7.503875 1.546077 2.967119 2.215435 5.518080 5.436988 3.573489 5.870788 6.541769 6.323800 0.971222 0.000000 3.994606 4.958750 2.810558 4.705548 4.109474 3.734936 4.073950 3.579371 6.003539 4.277504 4.423640 3.492573 3.135371 3.640201 3.113563 2.842603 3.232728 5.052290 4.979206 0.000000 3.181818 4.070213 1.900657 3.961265 3.543200 3.369089 3.561986 3.929412 5.286463 3.912137 3.934063 3.536606 3.332223 3.467888 3.240437 3.066547 3.179197 4.335671 4.152634 0.969599 0.000000 4.086666 5.233035 3.015690 4.524628 4.187064 3.641261 4.359613 2.609369 6.721794 4.810139 5.075508 3.160203 2.996605 4.210519 2.545605 1.908123 2.390612 5.761518 5.570244 0.974188 1.527454 0.000000 3.579361 4.730244 3.278711 2.765718 4.354686 4.057433 5.192116 3.156443 7.621837 6.407730 6.606948 4.265881 4.912041 6.328986 3.594145 2.677970 1.691475 6.793815 6.098519 4.272512 3.857624 3.652280 0.000000 2.755870 3.871760 2.758867 1.803241 3.604193 3.459731 4.496645 3.734813 6.918916 5.797018 5.979634 3.988524 4.675272 5.846676 3.514064 3.094490 2.207813 6.131398 5.379259 4.349209 3.783148 3.872535 0.974272 0.000000 3.861535 4.845999 3.352800 3.162094 4.868268 4.697471 5.631022 3.714901 7.598419 6.760892 6.831125 5.003944 5.550285 6.683482 4.331745 3.244835 2.300195 6.794251 6.093273 4.374732 3.891776 3.859050 0.962400 1.539183 0.000000 4.480470 5.278835 3.964675 5.467428 3.703540 3.270081 3.196042 4.895620 5.664027 2.796613 3.363345 2.849535 1.939010 1.870912 3.196009 4.220262 4.833157 4.811777 5.020294 2.656649 2.997286 3.084291 5.981927 5.769602 6.380159 0.000000 5.436173 6.194327 4.865553 6.423713 4.641797 4.188079 4.082088 5.390453 6.268187 3.473937 4.002931 3.597534 2.634302 2.508822 3.903808 4.828063 5.540049 5.463940 5.786228 3.193475 3.702977 3.635501 6.799199 6.654320 7.181146 0.961958 0.000000 4.241587 5.113717 3.448777 5.175759 3.782640 3.354339 3.431588 4.337056 5.690180 3.246493 3.623524 2.965243 2.213284 2.393769 3.022808 3.631978 4.214626 4.777689 4.907960 1.680131 2.137240 2.208113 5.368409 5.254624 5.669881 0.995433 1.577458 0.000000 BF3H16O8 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 195.8014096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;23;26;6;7;8;9;11;13;14;15;17;19;21;22;24;25;27;28/rA:28nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4901,-1.4313,-.275;-1.715,-2.0607,-.0615;-.0653,-.8004,.9181;.5036,-2.3157,-.708;-.6904,-.4009,-1.3508;.1223,.1839,-1.5417;-1.4635,.2591,-1.1426;4.1065,1.0291,.0787;-4.4977,-.6419,1.1478;-2.437,1.3089,-.7251;-2.9707,.9248,.0016;1.182,1.3225,-1.6974;.7499,2.1075,-1.3139;-1.9003,2.0414,-.366;1.974,1.1632,-1.1467;3.1883,.7573,.1727;3.1916,-.2273,.2916;-3.5875,-.3319,1.1351;-3.0422,-1.0999,.8982;1.0164,1.6477,1.7761;.5546,.7958,1.7431;1.8852,1.4526,1.3809;2.9861,-1.8998,.4381;2.1552,-2.1544,-.0025;2.9235,-2.2638,1.3268;-.3559,3.04,-.0227;-.3983,3.9891,.1285;.1344,2.6382,.7448; 0.6443707 0.4990628 0.3623482 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. One-electron integral symmetry used in STVInt NBasis= 612 RedAO= T EigKep= 3.34D-05 NBF= 612 NBsUse= 612 1.00D-06 EigRej= -1.00D+00 NBFU= 612 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 678 678 678 678 678 MxSgAt= 28 MxSgA2= 28. 1 Closed 1 1 1 -936.521687460636 -936.562820220845 -0.041132760209 -936.563037703220 -0.000217482375 -936.563326193744 -0.000288490523 -936.563344472822 -0.000018279078 -936.563345776807 -0.000001303985 -936.563345901232 -0.000000124425 -936.563345915856 -0.000000014625 -936.563345916016 -0.000000000159 -936.563345916109 -0.000000000094 -936.563345916 10 9.335097844708e+02 -4.126349497849e+03 1.303748150830e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414629834 LenY= 1414161294 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. Fock matrices will be formed incrementally for 20 cycles. PT2489.900S Fri May 5 11:05:16 2023 -24.65544 -24.65265 -24.65108 -19.16860 -19.15481 -19.14949 -19.14928 -19.14337 -19.13868 -19.13628 -19.13310 -6.86522 -1.20986 -1.16927 -1.16334 -1.07108 -1.04905 -1.04065 -1.03496 -1.03205 -1.02473 -1.01966 -1.01449 -0.59946 -0.58404 -0.57101 -0.56608 -0.56144 -0.55800 -0.55142 -0.54839 -0.54712 -0.52941 -0.50916 -0.50354 -0.46130 -0.44477 -0.44028 -0.43499 -0.42721 -0.41724 -0.41155 -0.40712 -0.40496 -0.40240 -0.38963 -0.38562 -0.38010 -0.37352 -0.35309 -0.34854 -0.34468 -0.33923 -0.33799 -0.33445 -0.32955 -0.01747 0.00221 0.01227 0.02874 0.03928 0.05858 0.06317 0.07727 0.08675 0.08759 0.10038 0.11373 0.12164 0.12712 0.12914 0.13625 0.14258 0.14565 0.15032 0.15951 0.16665 0.16919 0.17401 0.18474 0.18598 0.19216 0.19329 0.19531 0.20745 0.21205 0.21380 0.22313 0.22651 0.23023 0.23542 0.23825 0.24418 0.24910 0.25105 0.25744 0.26086 0.26232 0.27526 0.27974 0.28156 0.28459 0.29030 0.29613 0.30513 0.30835 0.31703 0.32035 0.32398 0.34225 0.34860 0.36837 0.37394 0.38368 0.39297 0.40813 0.41412 0.41657 0.42565 0.43205 0.43541 0.44205 0.44939 0.46862 0.47576 0.48545 0.49474 0.50570 0.51051 0.52331 0.52557 0.52986 0.53709 0.54001 0.54128 0.55605 0.55776 0.57792 0.58697 0.59766 0.60085 0.60945 0.61660 0.62434 0.63027 0.63608 0.64557 0.67114 0.67582 0.67774 0.69421 0.70331 0.71157 0.71455 0.72319 0.72854 0.74698 0.75202 0.75732 0.76820 0.78300 0.80613 0.81200 0.81474 0.81977 0.82324 0.82798 0.84473 0.84937 0.85524 0.86455 0.87330 0.88468 0.89612 0.91326 0.92828 0.93780 0.94263 0.94491 0.95492 0.96238 0.96781 0.98029 0.98592 0.99008 1.00228 1.00605 1.00800 1.02234 1.02464 1.03062 1.04020 1.04391 1.04919 1.05781 1.06519 1.07116 1.08553 1.08814 1.09699 1.10157 1.11540 1.12452 1.13571 1.13768 1.15170 1.15489 1.15933 1.16866 1.17554 1.18464 1.18877 1.19414 1.20589 1.21107 1.22235 1.22675 1.24212 1.25775 1.26294 1.27245 1.27865 1.29349 1.29386 1.30368 1.31994 1.33055 1.33448 1.34523 1.35993 1.36616 1.37181 1.38010 1.38308 1.39492 1.40265 1.40701 1.41790 1.41882 1.42215 1.43765 1.44934 1.46512 1.46612 1.47929 1.48111 1.49417 1.50356 1.50967 1.52761 1.54182 1.54578 1.55345 1.55598 1.57133 1.58652 1.59933 1.61912 1.62669 1.63590 1.64683 1.65163 1.66503 1.67478 1.67997 1.69633 1.70434 1.73061 1.74284 1.76657 1.77281 1.80081 1.81873 1.82707 1.85029 1.87365 1.88573 1.89047 1.94295 1.96533 1.99178 2.01603 2.03046 2.04058 2.05702 2.07841 2.10031 2.12315 2.13032 2.14770 2.16606 2.18414 2.19833 2.21616 2.24677 2.26961 2.28588 2.32056 2.36471 2.40432 2.42410 2.58369 2.60491 2.62873 2.64303 2.68184 2.69698 2.70251 2.73133 2.73642 2.75342 2.77548 2.78159 2.79336 2.81650 2.82211 2.83564 2.87081 2.87520 2.90886 2.98437 2.99733 3.03797 3.06522 3.12329 3.13780 3.15096 3.15187 3.16220 3.19415 3.20548 3.21905 3.24167 3.25629 3.26451 3.30151 3.30969 3.31766 3.34148 3.34908 3.35511 3.36450 3.38802 3.39930 3.40539 3.41274 3.42236 3.43979 3.44186 3.45196 3.46043 3.46490 3.46948 3.47130 3.48121 3.48982 3.50081 3.51435 3.52870 3.54353 3.55827 3.57419 3.58962 3.62909 3.66390 3.68910 3.71930 3.76302 3.79643 3.80677 3.81514 3.84076 3.90169 3.93215 3.99245 4.00090 4.01557 4.03092 4.07881 4.11226 4.12597 4.13348 4.14240 4.16330 4.17755 4.19308 4.20670 4.20996 4.23119 4.24848 4.26239 4.31252 4.31721 4.31938 4.33350 4.37189 4.37695 4.40077 4.41487 4.60931 4.61600 4.62473 4.63140 4.65872 4.66365 4.67509 4.69011 4.69921 4.71482 4.73072 4.74035 4.74947 4.76358 4.77899 4.80082 4.80700 4.82489 4.82956 4.83817 4.84734 4.86021 4.87101 4.88496 4.90920 4.93013 4.96680 4.97458 4.99388 4.99724 5.02911 5.05517 5.05998 5.08285 5.08483 5.09814 5.10546 5.11476 5.13084 5.13662 5.14554 5.15601 5.16809 5.17578 5.20986 5.22623 5.23409 5.24292 5.24851 5.26130 5.27738 5.28113 5.29472 5.30446 5.31233 5.31569 5.32077 5.33747 5.35969 5.36522 5.37329 5.38565 5.40850 5.41200 5.41690 5.43849 5.44153 5.44647 5.46158 5.47731 5.48106 5.51131 5.52600 5.53123 5.53369 5.54340 5.57411 5.58064 5.58324 5.58984 5.60700 5.61412 5.63893 5.66599 5.68157 5.70622 5.70851 5.72183 5.73752 5.75222 5.75539 5.76262 5.79316 5.79917 5.83466 5.84393 5.85187 5.88426 5.92875 6.09748 6.44515 6.47817 6.50617 6.52289 6.54057 6.60400 6.64316 6.64715 6.65167 6.66198 6.70883 6.72509 6.73820 6.75623 6.77718 6.81490 6.86338 6.89822 6.91267 6.92192 6.93051 6.94181 6.97220 6.97909 7.00138 7.00579 7.01332 7.02422 7.03147 7.03594 7.05158 7.06821 7.07894 7.11118 7.14188 7.16982 7.18989 7.24430 7.35444 7.37206 7.41115 7.45101 7.47722 7.65885 8.02652 8.08489 14.34345 14.34897 14.35028 14.37375 14.37647 14.38423 14.39348 14.40124 14.40282 14.40918 14.41621 14.42418 14.42953 14.43401 14.44041 14.44711 14.45038 14.46032 14.46733 14.47336 14.48345 14.49665 14.50022 14.57880 14.64335 14.65261 14.65629 14.66174 14.67713 14.69085 14.71840 14.77946 14.95441 15.02152 15.03248 15.03731 15.05900 15.06385 15.06924 15.08756 16.02785 19.33192 19.35690 19.36588 19.37955 19.39177 19.40418 19.40986 19.43899 19.48147 19.49328 19.50673 19.56064 19.59645 19.60815 19.69093 49.98129 49.99976 50.00678 50.01546 50.04023 50.04189 50.06840 50.11939 66.99646 67.07164 67.07647 1-A. Mulliken charges: 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 B F F F O H H H H O H O H H H O H O H O H H O H H O H H 1.094044 -0.352054 -0.387186 -0.386252 -1.113920 0.588936 0.590520 0.261469 0.236597 -0.783578 0.396810 -0.661830 0.303066 0.389269 0.355114 -0.729890 0.482302 -0.585432 0.332485 -0.620233 0.315148 0.316310 -0.593700 0.331836 0.227990 -0.724575 0.270476 0.446279 -0.00000 1.4192 2.5636 1.9631 3.5270 -54.8544 -67.6231 -82.6885 3.0026 0.3338 -4.6968 13.5343 0.7656 -14.2998 3.0026 0.3338 -4.6968 -7.1162 56.0789 4.7528 2.3467 -5.1561 29.5976 4.3826 -21.5455 16.1939 -9.5296 -1258.6703 -1033.9818 -557.7852 196.6108 -58.5216 -31.5185 -21.9894 18.8925 -19.9414 -505.6613 -398.7718 -308.6817 -35.9156 7.6892 -25.4310 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-CIBELES2-141 LAMSABHI 05-May-2023 0 Single Point 8h2O-BF3/ CONF4 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-936.5633459 RMSD=3.390e-09 Dipole=-0.7430225,0.1663227,-1.1600806 Quadrupole=-0.7609048,-5.0114651,5.77237,3.4081328,-5.0926136,7.5818899 PG=C01 [X(B1F3H16O8)] 0 0.9697107175 0.4368973013 1.0025549824 0 0.8645537075 1.1874103079 2.1720546858 0 0.3963773236 1.1527502425 -0.074954987 0 2.2929982982 0.1105954197 0.6871485836 0 0.2173199057 -0.8464025016 1.2172665611 0 0.1550837348 -1.449693191 0.3980737232 0 -0.7620468212 -0.6966570806 1.5256231324 0 1.044245821 -1.3874115878 -3.8937461986 0 -1.941954337 2.4880570163 3.4567709743 0 -2.2128690212 -0.450391196 1.7679720854 0 -2.2949868683 0.4811669289 2.0611830982 0 -0.2643786374 -2.291868875 -0.8503244966 0 -1.2198397735 -2.1236390835 -0.9440451625 0 -2.6472519267 -0.5444814117 0.8985451154 0 0.1435407937 -1.955515563 -1.6727244507 0 0.8091011624 -0.957284249 -3.0658023696 0 1.6226175772 -0.4898151528 -2.7445704097 0 -1.7598117951 2.1183247105 2.587939857 0 -0.7937195156 2.0440021039 2.5215034902 0 -1.3320539695 0.7248254772 -2.2494988103 0 -0.8264916777 1.1330203985 -1.5298424273 0 -0.6627201304 0.2117558108 -2.7371400511 0 2.9131376031 0.3115704114 -2.0006446481 0 2.8152245923 0.2360828264 -1.0342489203 0 3.0099352043 1.253509731 -2.1726747696 0 -2.8142472193 -1.0209443466 -0.9029562177 0 -3.671871903 -1.224409709 -1.2882422376 0 -2.3914581789 -0.3213579899 -1.4710360247