Gaussian 16 GINC-CIBELES2-166 LAMSABHI Optimization acidity/ CONF15 gas EM64L-G16RevC.01 1-Aug-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 30 30 61 61 388 (5D, 7F) 6-311+G(d,p) 84 84 C1[X(BF3H17O9)] C1[X(BF3H17O9)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq 211.8008096 -1 1 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;22;25;28;6;7;8;9;11;13;14;15;17;19;21;23;24;26;27;29;30/rA:30nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.6764,-1.3826,-.0678;-2.0344,-1.69,.0694;-.1717,-.9657,1.1847;.0159,-2.5386,-.4788;-.4642,-.2921,-1.0189;-.5112,-.6135,-1.9215;3.9868,.6206,-2.5054;-2.8773,1.0103,1.8555;3.0052,-1.0869,.4007;-1.3207,1.3703,2.7105;-.9396,2.0721,2.1398;2.9671,-2.0488,-1.1406;2.9752,-1.309,-1.7764;-.8579,.5732,2.4356;2.0491,-2.3361,-1.0875;-3.578,.7645,1.2156;-3.3218,-.1149,.9205;3.0792,.34,-2.6324;2.5687,.844,-1.9565;2.8282,-.4549,1.1277;1.9857,-.7503,1.4868;-2.274,2.0765,-.8706;-1.7222,1.3064,-1.0618;-2.8863,1.7312,-.1909;-.3513,3.1495,.8315;-1.0536,2.9324,.1847;.4463,2.758,.4516;1.6892,1.3973,-.5627;2.1578,.8821,.1305;.8871,.8621,-.7261; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/lamsabhi/opt-b3lyp.gjf-5229288/Gau-8982.inp" -scrdir="/temporal/lamsabhi/opt-b3lyp.gjf-5229288/" chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/acidity/gas #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 acidity/ CONF15 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 29 30 11 19 19 19 16 1 1 1 1 16 1 16 1 1 1 16 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 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 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 -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 R31 R32 R33 1 1 1 1 3 5 5 5 7 8 8 9 9 10 10 11 12 12 13 16 16 18 19 20 20 22 22 22 25 25 27 28 28 2 3 4 5 14 6 23 30 18 10 16 12 20 11 14 25 13 15 18 17 24 19 28 21 29 23 24 26 26 27 28 29 30 1.3991 1.4133 1.4088 1.4625 2.0986 0.9593 2.0346 1.8011 0.9584 1.8121 0.9802 1.8172 0.9794 0.9815 0.9619 1.7941 0.9754 0.9633 1.8609 0.9623 1.8416 0.9856 1.7385 0.9623 1.7977 0.9665 0.9779 1.8264 0.9791 0.9664 2.1036 0.9826 0.978 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 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 2 2 2 3 3 4 1 1 1 1 6 6 23 8 8 11 9 9 13 3 8 8 17 7 7 13 9 9 21 23 23 24 16 11 11 26 22 25 19 19 19 27 27 29 20 1 1 1 1 1 1 3 5 5 5 5 5 5 10 10 10 12 12 12 14 16 16 16 18 18 18 20 20 20 22 22 22 24 25 25 25 26 27 28 28 28 28 28 28 29 3 4 5 4 5 5 14 6 23 30 23 30 30 11 14 14 13 15 15 10 17 24 24 13 19 19 21 29 29 24 26 26 22 26 27 27 25 28 27 29 30 29 30 30 28 108.9412 108.9811 111.6196 108.9736 107.7344 110.537 128.8875 110.795 120.6512 118.7488 102.3013 113.8558 87.9291 101.6043 96.5322 103.8607 98.697 97.5356 105.6683 159.2971 103.8332 95.6476 98.3673 104.5606 104.4741 96.2415 103.7166 97.7855 96.2452 102.3386 96.0974 100.5025 162.0739 96.5119 108.2994 104.0382 164.7742 159.9346 153.047 99.0606 96.1315 106.3023 87.1309 102.8228 163.5733 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 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 10 12 10 12 18 5 5 10 12 10 12 18 5 5 8 9 11 13 19 23 30 8 9 11 13 19 23 30 16 20 25 18 28 22 28 16 20 25 18 28 22 28 1 1 1 1 4 8 9 1 1 1 1 4 8 9 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 167.9932 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 168.2895 169.9851 177.8591 169.5906 169.1473 173.6192 186.4328 188.8932 174.736 166.0994 172.083 172.8731 177.905 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 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 2 4 5 2 2 2 3 3 3 4 4 4 1 1 1 6 6 30 30 1 1 1 6 6 6 23 23 23 11 11 14 14 8 8 14 14 9 9 15 15 13 13 15 15 8 11 8 17 7 7 7 13 13 13 9 21 23 26 23 24 11 27 11 26 25 25 25 19 27 30 1 1 1 1 1 1 1 1 1 1 1 1 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 10 10 16 16 18 18 18 18 18 18 20 20 22 22 22 22 25 25 25 25 27 27 27 28 28 28 3 3 3 5 5 5 5 5 5 5 5 5 14 22 22 22 22 22 22 28 28 28 28 28 28 28 28 28 16 16 16 16 25 25 25 25 18 18 18 18 20 20 20 20 14 14 24 24 28 28 28 28 28 28 29 29 24 24 26 26 26 26 27 27 28 28 28 29 29 29 14 14 14 6 23 30 6 23 30 6 23 30 10 24 26 24 26 24 26 19 27 29 19 27 29 19 27 29 17 24 17 24 26 27 26 27 7 19 7 19 21 29 21 29 3 3 22 22 27 29 30 27 29 30 28 28 16 16 25 25 22 22 28 28 19 29 30 20 20 20 -55.3592 -174.1506 65.8872 -79.4079 39.93 146.0224 161.0327 -79.6294 26.463 42.0644 161.4023 -92.5053 -18.2452 -5.8304 94.7328 119.437 -139.9998 -126.7198 -26.1566 111.6344 -94.9266 11.763 -19.6037 133.8354 -119.475 -123.151 30.288 136.9776 110.8898 12.5032 6.287 -92.0996 -9.9047 -115.6492 87.8536 -17.8909 72.9011 -32.6024 170.8466 65.3431 118.4148 22.151 12.1586 -84.1052 44.0427 -59.6545 54.8908 -50.0245 98.8031 -64.3028 -167.6435 -156.6213 40.2728 -63.0679 35.135 -69.6811 31.6032 -67.0895 -38.4144 65.3759 -43.7268 67.0232 64.9409 -36.9364 99.0196 -101.402 1.1231 -61.8648 127.3509 36.6012 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|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 401 A 388 A 604 401 1060.1740420208 30 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= 388 RedAO= T EigKep= 1.78D-04 NBF= 388 NBsUse= 388 1.00D-06 EigRej= -1.00D+00 NBFU= 388 Berny optimization. local minimum Step number 27 out of a maximum of 172 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00056 0.00124 0.00341 0.00446 0.00552 0.00611 0.00652 0.00793 0.00896 0.01236 0.01396 0.01590 0.01604 0.01694 0.01961 0.02056 0.02362 0.02514 0.02837 0.03169 0.03288 0.03334 0.03638 0.04030 0.04246 0.04574 0.04794 0.05023 0.05072 0.05175 0.05412 0.05658 0.05778 0.06038 0.06113 0.06213 0.06422 0.06583 0.06696 0.06924 0.07042 0.07149 0.07628 0.07675 0.08182 0.08450 0.08555 0.08750 0.09407 0.09600 0.09912 0.10133 0.10877 0.11064 0.12624 0.14307 0.14822 0.16464 0.17526 0.18150 0.19711 0.21382 0.33789 0.36293 0.41076 0.44330 0.46463 0.47586 0.48441 0.48604 0.49707 0.50444 0.50819 0.51294 0.51677 0.51882 0.52789 0.54695 0.54920 0.55154 0.55637 0.55987 0.66810 0.81805 -8.52675817e-08 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 R31 R32 R33 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 A53 A54 A55 A56 A57 A58 A59 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 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 2.66058 2.70467 2.68631 2.76293 3.70597 1.81704 3.63596 3.37745 1.81542 3.50079 1.85369 3.50510 1.85292 1.85525 1.82840 3.48600 1.84329 1.83301 3.56969 1.82959 3.56305 1.86782 3.31603 1.82886 3.45244 1.83854 1.84990 3.51231 1.85334 1.83661 3.80584 1.85922 1.85604 1.89253 1.91051 1.95607 1.90257 1.88273 1.91844 2.19965 1.92553 2.09710 1.98884 1.89586 1.95685 1.57573 1.82994 1.68563 1.81292 1.76750 1.72762 1.83949 2.83674 1.80772 1.65883 1.72450 2.12299 1.84905 1.71576 1.79941 1.71940 1.65433 1.78490 1.69206 1.81502 2.77276 1.66581 1.86915 1.81579 2.85612 2.76022 2.61407 1.75458 1.61911 1.89556 1.54295 1.79965 2.82336 2.88128 2.87088 2.93758 3.01127 2.87879 2.98422 3.07675 3.26889 3.28858 3.03714 2.92251 3.09369 2.99734 3.04403 -0.94810 -3.02678 1.17388 -1.57184 0.65384 2.49214 2.62927 -1.42823 0.41007 0.55685 2.78253 -1.66235 -0.30312 -0.14631 1.67354 2.13158 -2.33175 -2.17568 -0.35583 1.94357 -1.72529 0.18918 -0.23217 2.38217 -1.98655 -2.16559 0.44874 2.36321 1.95285 0.23163 0.12466 -1.59656 -0.20022 -2.03418 1.51275 -0.32120 1.52498 -0.42128 -3.01498 1.32193 2.01354 0.35951 0.15742 -1.49661 0.76269 -1.10672 0.98320 -0.84246 1.45489 -1.56596 2.91851 -2.64809 0.61425 -1.18447 0.75714 -1.05859 0.55158 -1.20200 -0.68759 1.13687 -0.70448 1.20071 0.93655 -0.81441 1.80939 -1.61255 0.19041 -1.15186 2.13188 0.51280 0.00004 0.00002 0.00002 0.00002 -0.00001 0.00000 -0.00001 0.00002 0.00001 0.00001 0.00001 0.00000 0.00002 0.00003 0.00002 -0.00001 0.00001 0.00001 -0.00001 0.00003 -0.00001 0.00002 -0.00000 0.00002 -0.00001 0.00001 0.00002 -0.00000 0.00001 0.00001 0.00001 0.00002 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -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 0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00001 -0.00000 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 0.00001 0.00000 0.00001 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -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 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00007 -0.00008 0.00000 0.00009 -0.00004 -0.00000 0.00030 -0.00004 -0.00000 -0.00023 0.00001 0.00011 -0.00001 0.00000 -0.00001 -0.00012 -0.00000 -0.00001 -0.00004 -0.00001 -0.00021 0.00000 -0.00005 -0.00001 0.00051 -0.00001 0.00000 0.00012 -0.00002 0.00000 -0.00031 -0.00004 0.00001 0.00004 0.00002 -0.00002 0.00001 0.00000 -0.00005 0.00001 -0.00001 -0.00010 -0.00002 0.00018 -0.00005 -0.00000 0.00013 0.00010 -0.00001 0.00014 -0.00006 0.00003 0.00008 0.00002 0.00015 0.00003 0.00012 0.00001 0.00021 0.00002 -0.00001 -0.00009 0.00000 0.00012 -0.00014 0.00020 0.00008 -0.00012 0.00004 0.00005 -0.00007 -0.00028 0.00006 -0.00008 0.00022 0.00004 0.00001 -0.00017 0.00004 0.00001 -0.00022 -0.00006 -0.00013 -0.00020 -0.00004 0.00027 0.00005 0.00002 -0.00005 -0.00010 -0.00024 -0.00020 -0.00016 -0.00022 -0.00016 -0.00034 -0.00018 -0.00026 -0.00037 -0.00021 -0.00029 -0.00036 -0.00020 -0.00027 0.00143 0.00028 0.00012 0.00042 0.00027 0.00038 0.00022 0.00041 0.00012 0.00039 0.00051 0.00022 0.00049 0.00033 0.00004 0.00031 0.00028 0.00026 0.00025 0.00023 -0.00017 -0.00020 -0.00006 -0.00010 0.00034 0.00014 0.00030 0.00011 -0.00032 -0.00023 -0.00036 -0.00026 -0.00115 -0.00131 0.00012 0.00007 -0.00019 -0.00025 -0.00024 0.00004 -0.00002 -0.00002 0.00052 0.00052 -0.00007 -0.00017 -0.00072 -0.00071 0.00058 0.00048 0.00054 0.00047 -0.00060 -0.00053 -0.00050 -0.00041 -0.00037 -0.00047 0.00003 0.00000 -0.00001 0.00005 -0.00004 0.00000 -0.00009 0.00033 0.00001 0.00023 -0.00000 -0.00004 0.00001 0.00003 0.00001 -0.00025 0.00002 0.00001 -0.00009 0.00002 -0.00023 0.00002 -0.00002 0.00002 -0.00017 0.00001 0.00003 -0.00000 0.00002 0.00000 0.00016 0.00003 -0.00004 0.00002 0.00003 -0.00001 0.00003 -0.00005 -0.00001 0.00016 0.00004 -0.00006 0.00010 -0.00009 0.00002 -0.00002 -0.00009 0.00000 -0.00000 -0.00011 -0.00007 0.00006 -0.00014 -0.00002 -0.00012 -0.00006 -0.00034 -0.00001 -0.00003 -0.00001 -0.00003 -0.00007 -0.00001 0.00014 0.00007 0.00001 -0.00008 -0.00005 -0.00006 -0.00005 0.00004 0.00006 -0.00002 -0.00004 -0.00006 0.00015 -0.00005 0.00001 -0.00021 -0.00005 0.00020 0.00013 -0.00020 -0.00006 0.00003 -0.00007 -0.00001 0.00013 0.00007 0.00016 -0.00003 0.00029 0.00001 -0.00005 -0.00002 0.00021 0.00006 0.00007 0.00022 0.00007 0.00008 0.00023 0.00008 0.00009 0.00029 -0.00006 0.00003 -0.00015 -0.00006 -0.00015 -0.00006 0.00005 0.00012 0.00004 -0.00014 -0.00008 -0.00015 -0.00004 0.00003 -0.00005 -0.00023 -0.00016 -0.00020 -0.00014 -0.00003 0.00004 -0.00001 0.00006 -0.00006 0.00006 -0.00013 -0.00001 -0.00006 0.00001 -0.00010 -0.00002 -0.00026 -0.00016 0.00038 0.00043 0.00049 0.00047 0.00054 0.00008 0.00007 0.00013 -0.00003 -0.00000 -0.00004 -0.00020 -0.00020 -0.00015 0.00018 0.00009 0.00003 0.00015 0.00015 -0.00003 -0.00003 -0.00008 -0.00001 -0.00013 -0.00004 -0.00008 -0.00001 0.00014 -0.00008 -0.00000 0.00021 0.00029 0.00001 -0.00000 0.00001 0.00007 -0.00000 0.00004 0.00001 -0.00036 0.00001 0.00000 -0.00013 0.00001 -0.00043 0.00002 -0.00007 0.00002 0.00034 -0.00000 0.00003 0.00012 0.00001 0.00001 -0.00016 -0.00002 -0.00003 0.00006 0.00005 -0.00003 0.00004 -0.00005 -0.00007 0.00017 0.00003 -0.00016 0.00009 0.00009 -0.00003 -0.00002 0.00004 0.00011 -0.00001 0.00003 -0.00012 0.00009 -0.00005 -0.00000 0.00004 -0.00003 -0.00022 0.00000 0.00018 0.00001 -0.00004 -0.00016 -0.00001 0.00026 -0.00007 0.00021 0.00000 -0.00018 -0.00002 0.00000 -0.00002 -0.00023 0.00004 -0.00012 0.00016 0.00018 -0.00004 -0.00016 -0.00017 -0.00004 -0.00003 0.00007 -0.00033 -0.00026 -0.00001 0.00019 0.00003 0.00014 0.00003 0.00006 -0.00027 0.00009 -0.00015 -0.00027 -0.00019 -0.00013 -0.00012 -0.00019 -0.00015 -0.00014 -0.00021 -0.00013 -0.00012 -0.00019 0.00172 0.00022 0.00015 0.00027 0.00021 0.00022 0.00016 0.00046 0.00024 0.00043 0.00037 0.00014 0.00034 0.00029 0.00006 0.00026 0.00005 0.00009 0.00005 0.00009 -0.00020 -0.00016 -0.00007 -0.00004 0.00028 0.00021 0.00018 0.00010 -0.00039 -0.00022 -0.00046 -0.00029 -0.00140 -0.00148 0.00049 0.00049 0.00030 0.00022 0.00029 0.00012 0.00005 0.00012 0.00050 0.00052 -0.00011 -0.00037 -0.00092 -0.00087 0.00076 0.00057 0.00057 0.00063 -0.00045 -0.00056 -0.00053 -0.00049 -0.00038 -0.00060 2.66055 2.70459 2.68630 2.76307 3.70589 1.81704 3.63617 3.37774 1.81543 3.50078 1.85370 3.50517 1.85292 1.85528 1.82841 3.48564 1.84331 1.83301 3.56956 1.82960 3.56262 1.86784 3.31596 1.82888 3.45279 1.83854 1.84993 3.51242 1.85334 1.83662 3.80568 1.85920 1.85601 1.89258 1.91056 1.95603 1.90260 1.88268 1.91837 2.19982 1.92556 2.09694 1.98892 1.89595 1.95682 1.57571 1.82999 1.68574 1.81291 1.76753 1.72750 1.83958 2.83669 1.80772 1.65886 1.72447 2.12278 1.84905 1.71594 1.79943 1.71936 1.65417 1.78489 1.69233 1.81495 2.77297 1.66581 1.86897 1.81577 2.85612 2.76019 2.61384 1.75463 1.61899 1.89572 1.54314 1.79961 2.82320 2.88110 2.87084 2.93755 3.01134 2.87846 2.98396 3.07674 3.26908 3.28862 3.03728 2.92254 3.09376 2.99707 3.04412 -0.94826 -3.02705 1.17369 -1.57197 0.65372 2.49195 2.62912 -1.42837 0.40986 0.55672 2.78241 -1.66254 -0.30140 -0.14609 1.67369 2.13185 -2.33155 -2.17546 -0.35567 1.94403 -1.72505 0.18961 -0.23180 2.38231 -1.98622 -2.16530 0.44880 2.36347 1.95289 0.23172 0.12471 -1.59646 -0.20042 -2.03433 1.51268 -0.32124 1.52526 -0.42108 -3.01481 1.32204 2.01315 0.35929 0.15696 -1.49690 0.76129 -1.10819 0.98370 -0.84196 1.45518 -1.56573 2.91880 -2.64797 0.61430 -1.18435 0.75764 -1.05808 0.55147 -1.20237 -0.68851 1.13601 -0.70371 1.20129 0.93712 -0.81378 1.80893 -1.61311 0.18988 -1.15235 2.13151 0.51220 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000038 0.000008 0.000814 0.000264 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.263314e-08 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 R31 R32 R33 1 1 1 1 3 5 5 5 7 8 8 9 9 10 10 11 12 12 13 16 16 18 19 20 20 22 22 22 25 25 27 28 28 2 3 4 5 14 6 23 30 18 10 16 12 20 11 14 25 13 15 18 17 24 19 28 21 29 23 24 26 26 27 28 29 30 1.4079 1.4312 1.4215 1.4621 1.9611 0.9615 1.9241 1.7873 0.9607 1.8525 0.9809 1.8548 0.9805 0.9818 0.9675 1.8447 0.9754 0.97 1.889 0.9682 1.8855 0.9884 1.7548 0.9678 1.827 0.9729 0.9789 1.8586 0.9807 0.9719 2.014 0.9839 0.9822 -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 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 2 2 2 3 3 4 1 1 1 1 6 6 23 8 8 11 9 9 13 3 8 8 17 7 7 13 9 9 21 23 23 24 16 11 11 26 22 25 19 19 19 27 27 29 20 1 1 1 1 1 1 3 5 5 5 5 5 5 10 10 10 12 12 12 14 16 16 16 18 18 18 20 20 20 22 22 22 24 25 25 25 26 27 28 28 28 28 28 28 29 3 4 5 4 5 5 14 6 23 30 23 30 30 11 14 14 13 15 15 10 17 24 24 13 19 19 21 29 29 24 26 26 22 26 27 27 25 28 27 29 30 29 30 30 28 108.4338 109.4641 112.0743 109.0091 107.8722 109.9182 126.0308 110.325 120.155 113.9519 108.6247 112.1194 90.2827 104.8481 96.5795 103.8729 101.2702 98.9855 105.395 162.5333 103.5749 95.0438 98.8065 121.6386 105.9426 98.306 103.0988 98.5144 94.7861 102.2672 96.9482 103.9929 158.8675 95.4438 107.0945 104.0371 163.6435 158.1487 149.775 100.5302 92.7679 108.6074 88.4048 103.1122 161.7667 -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 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 10 12 10 12 18 5 5 10 12 10 12 18 5 8 9 11 13 19 23 30 8 9 11 13 19 23 16 20 25 18 28 22 28 16 20 25 18 28 22 1 1 1 1 4 8 9 1 1 1 1 4 8 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 165.0849 -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 = 0.0 164.4893 168.3109 172.5329 164.9424 170.9831 176.285 187.2935 188.422 174.0152 167.4476 177.2556 171.7349 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 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 2 4 5 2 2 2 3 3 3 4 4 4 1 1 1 6 6 30 30 1 1 1 6 6 6 23 23 23 11 11 14 14 8 8 14 14 9 9 15 15 13 13 15 15 8 11 8 17 7 7 7 13 13 13 9 21 23 26 23 24 11 27 11 26 25 25 25 19 27 1 1 1 1 1 1 1 1 1 1 1 1 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 10 10 16 16 18 18 18 18 18 18 20 20 22 22 22 22 25 25 25 25 27 27 27 28 28 3 3 3 5 5 5 5 5 5 5 5 5 14 22 22 22 22 22 22 28 28 28 28 28 28 28 28 28 16 16 16 16 25 25 25 25 18 18 18 18 20 20 20 20 14 14 24 24 28 28 28 28 28 28 29 29 24 24 26 26 26 26 27 27 28 28 28 29 29 14 14 14 6 23 30 6 23 30 6 23 30 10 24 26 24 26 24 26 19 27 29 19 27 29 19 27 29 17 24 17 24 26 27 26 27 7 19 7 19 21 29 21 29 3 3 22 22 27 29 30 27 29 30 28 28 16 16 25 25 22 22 28 28 19 29 30 20 20 -54.3224 -173.4217 67.2583 -90.0598 37.4624 142.7891 150.6463 -81.8315 23.4952 31.9052 159.4274 -95.2459 -17.3676 -8.383 95.8866 122.1307 -133.5996 -124.6574 -20.3877 111.3581 -98.8516 10.8391 -13.3021 136.4881 -113.8211 -124.0792 25.7111 135.4019 111.8898 13.2715 7.1423 -91.476 -11.4718 -116.5497 86.6743 -18.4035 87.3752 -24.1378 -172.7458 75.7412 115.3673 20.5982 9.0198 -85.7493 43.699 -63.4102 56.3334 -48.2692 83.3588 -89.7227 167.2183 -151.7246 35.1938 -67.8652 43.3808 -60.653 31.6033 -68.8694 -39.3962 65.138 -40.3636 68.7957 53.6606 -46.6624 103.6703 -92.3926 10.9097 -65.9968 122.1479 -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|-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) -0.0330668523 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 0 0 211.8008096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;22;25;28;6;7;8;9;11;13;14;15;17;19;21;23;24;26;27;29;30/rA:30nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.6764,-1.3826,-.0678;-2.0344,-1.69,.0694;-.1717,-.9657,1.1847;.0159,-2.5386,-.4788;-.4642,-.2921,-1.0189;-.5112,-.6135,-1.9215;3.9868,.6206,-2.5054;-2.8773,1.0103,1.8555;3.0052,-1.0868,.4007;-1.3207,1.3703,2.7105;-.9396,2.0721,2.1398;2.9671,-2.0488,-1.1406;2.9752,-1.309,-1.7764;-.8579,.5732,2.4357;2.0491,-2.3361,-1.0875;-3.578,.7645,1.2157;-3.3218,-.1149,.9205;3.0792,.34,-2.6324;2.5687,.844,-1.9565;2.8282,-.4549,1.1277;1.9857,-.7503,1.4868;-2.274,2.0765,-.8706;-1.7222,1.3064,-1.0618;-2.8863,1.7312,-.1909;-.3513,3.1495,.8314;-1.0536,2.9324,.1847;.4463,2.758,.4516;1.6892,1.3973,-.5627;2.1578,.8821,.1305;.8871,.8621,-.7261; 0.000000 1.399099 0.000000 1.413256 2.288758 0.000000 1.408757 2.285658 2.297069 0.000000 1.462461 2.367284 2.322761 2.359855 0.000000 2.013725 2.728120 3.144508 2.462776 0.959261 0.000000 5.630275 6.944274 5.781523 5.464044 4.780562 4.700594 0.000000 3.777385 3.345496 3.416857 5.139456 3.972559 4.743465 8.141510 0.000000 3.723057 5.086373 3.274418 3.437630 3.831902 4.240484 3.510600 6.412322 0.000000 3.963921 4.104976 3.017530 5.219022 4.172048 5.103583 7.479137 1.812095 5.485108 0.000000 4.108199 4.431533 3.275677 5.387809 3.974006 4.887725 6.924892 2.227700 5.344604 0.981534 0.000000 3.856122 5.158244 4.053610 3.063906 3.856708 3.842944 3.166705 7.245049 1.817236 6.701226 6.557786 0.000000 4.032235 5.352385 4.334587 3.457334 3.665691 3.558066 2.297447 7.267808 2.188581 6.765062 6.487995 0.975435 0.000000 3.181991 3.479271 2.098559 4.352104 3.582966 4.529142 6.920088 2.146027 4.671241 0.961862 1.530009 5.856176 5.998063 0.000000 3.062273 4.293123 3.460180 2.132040 3.240270 3.196594 3.808825 6.642962 2.165537 6.286373 6.227371 0.963349 1.545015 5.415488 0.000000 3.830961 3.117875 3.820679 5.166956 3.975597 4.598448 8.431648 0.980206 6.886940 2.774370 3.086235 7.503608 7.496399 2.987256 6.825139 0.000000 3.095481 2.205176 3.273722 4.355758 3.458178 4.028080 8.105186 1.529047 6.422330 3.068354 3.456109 6.894811 6.953556 2.973205 6.149227 0.962343 0.000000 4.863026 6.129377 5.181050 4.723159 3.944417 3.782237 0.958423 7.487964 3.352766 6.997683 6.474935 2.818556 1.860893 6.421877 3.257200 7.701020 7.335089 0.000000 4.365241 5.631472 4.544416 4.488008 3.371641 3.407474 1.536948 6.649593 3.078164 6.098005 5.531380 3.031896 2.198445 5.577290 3.337375 6.917397 6.625336 0.985611 0.000000 3.817351 5.127440 3.043585 3.851251 3.933748 4.524885 3.962161 5.935399 0.979415 4.801057 4.648269 2.775792 3.030669 4.044163 3.008864 6.521812 6.162930 3.851425 3.356647 0.000000 3.146936 4.365001 2.189014 3.307844 3.534174 4.227258 4.671368 5.184986 1.527189 4.114220 4.117003 3.090689 3.455381 3.276903 3.024215 5.772575 5.375336 4.399148 3.839041 0.962326 0.000000 3.893827 3.889395 4.230738 5.166809 2.984546 3.383422 6.632430 2.988691 6.284317 3.772570 3.292920 6.675265 6.311574 3.898299 6.181193 2.788260 3.018055 5.897081 5.113651 6.036037 5.629668 0.000000 3.051616 3.217984 3.551557 4.259670 2.034612 2.427235 5.928471 3.151564 5.496810 3.794210 3.383654 5.766511 5.423717 3.676538 5.243221 2.987385 2.916976 5.143350 4.407485 5.348142 4.947129 0.966456 0.000000 3.820301 3.535291 4.066368 5.170790 3.262852 3.759486 7.336900 2.169682 6.557578 3.316644 3.055867 7.032258 6.790765 3.514903 6.458000 1.841584 2.198480 6.594229 5.801868 6.258930 5.719231 0.977855 1.514639 0.000000 4.631812 5.180141 4.134220 5.848576 3.909077 4.665184 6.029035 3.464783 5.422028 2.763321 1.794051 6.474768 6.143695 3.076921 6.287789 4.030740 4.414531 5.626725 4.649158 4.815492 4.593442 2.782959 2.976677 3.079429 0.000000 4.338743 4.726684 4.119808 5.613863 3.491870 4.159701 6.163291 3.132334 5.716157 2.981822 2.139061 6.537105 6.169793 3.266646 6.245165 3.483557 3.869435 5.633486 4.697540 5.237489 4.949236 1.826360 2.155133 2.223254 0.979062 0.000000 4.321367 5.107283 3.845117 5.394859 3.506314 4.232612 5.084018 4.008878 4.618755 3.185982 2.289355 5.656317 5.282008 3.226561 5.557642 4.555505 4.761554 4.721202 3.737231 4.056224 3.968534 3.100451 3.016627 3.545945 0.966352 1.533426 0.000000 3.683584 4.878137 3.478539 4.277673 2.774745 3.275844 3.107431 5.181701 2.971712 4.446856 3.830103 3.720526 3.232800 4.019634 3.787264 5.595210 5.440361 2.708039 1.738472 2.754221 2.983439 4.032721 3.448917 4.602754 3.029473 3.230776 2.103579 0.000000 3.633229 4.918680 3.154665 4.081664 3.094218 3.683802 3.218939 5.323846 2.160534 4.358289 3.879062 3.295530 3.017491 3.808366 3.442684 5.838666 5.625310 2.962485 2.127394 1.797676 2.129341 4.697752 4.081119 5.125146 3.453691 3.810405 2.559486 0.982599 0.000000 2.813632 3.959957 2.848334 3.519234 1.801097 2.358313 3.582207 4.566939 3.090988 4.116196 3.607527 3.601547 3.190142 3.622876 3.421902 4.870017 4.623997 2.951579 2.083727 2.989797 2.950186 3.389427 2.668099 3.909072 3.031794 2.980243 2.274982 0.977978 1.532478 0.000000 BF3H17O9(1-) 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 0 0 211.8008096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;22;25;28;6;7;8;9;11;13;14;15;17;19;21;23;24;26;27;29;30/rA:30nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0753,-1.5861,-.1936;-1.1892,-2.3663,-.5225;-.2487,-1.0647,1.1085;1.0751,-2.399,-.2121;.0802,-.4561,-1.1089;.4853,-.7374,-1.9316;4.1475,2.053,-.9841;-3.5149,-.2213,.5648;2.8205,-.005,1.5314;-2.6153,.6407,1.8807;-2.3198,1.4542,1.4177;3.6922,-.8555,.1827;3.6772,-.1382,-.4781;-1.8378,.0745,1.8707;2.9816,-1.4555,-.0685;-3.7965,-.6775,-.2558;-3.1608,-1.3938,-.3504;3.5101,1.47,-1.3994;2.645,1.73,-1.0051;2.1793,.4922,2.08;1.4233,-.1001,2.1407;-2.3574,1.0958,-1.8554;-1.5435,.5836,-1.7586;-3.0164,.5273,-1.4097;-1.7036,2.7211,.3069;-1.9939,2.2914,-.5235;-.7398,2.6576,.2792;1.1794,1.8754,-.0816;1.5057,1.5365,.781;.7348,1.0944,-.4675; 0.5975629 0.3518400 0.2969378 -24.53452 -24.52832 -24.52284 -19.03481 -19.02257 -19.01961 -19.01891 -19.01886 -19.00320 -19.00244 -19.00130 -19.00098 -6.73968 -1.08698 -1.04420 -1.03812 -0.93275 -0.91746 -0.91445 -0.90770 -0.90489 -0.89760 -0.89275 -0.89231 -0.87902 -0.46758 -0.44672 -0.43838 -0.43090 -0.42855 -0.42053 -0.41618 -0.41180 -0.40902 -0.40627 -0.38804 -0.38636 -0.33254 -0.32472 -0.31191 -0.30223 -0.30195 -0.29997 -0.29816 -0.29246 -0.28559 -0.28198 -0.28042 -0.27123 -0.26560 -0.25487 -0.24773 -0.23404 -0.22219 -0.22065 -0.21411 -0.20968 -0.20591 -0.20146 -0.19850 -0.19128 0.08542 0.11503 0.12077 0.12877 0.14175 0.17434 0.17805 0.18437 0.18812 0.20485 0.21452 0.21950 0.22642 0.23113 0.23342 0.24153 0.24604 0.24812 0.25641 0.26804 0.27113 0.27288 0.27665 0.28427 0.28521 0.29700 0.30150 0.30225 0.31191 0.31491 0.32305 0.32791 0.32963 0.33361 0.33936 0.34690 0.34843 0.35756 0.35946 0.36501 0.37193 0.37380 0.37568 0.38066 0.38501 0.38802 0.39019 0.39445 0.40198 0.40910 0.41038 0.41688 0.42753 0.43058 0.44581 0.45483 0.46795 0.47940 0.49453 0.50794 0.51919 0.52790 0.53336 0.54976 0.57213 0.58371 0.59015 0.59578 0.60544 0.61300 0.62107 0.63632 0.63787 0.64714 0.64946 0.65348 0.65709 0.66454 0.67042 0.67578 0.68706 0.69271 0.70774 0.71830 0.72812 0.74349 0.75569 0.75611 0.76356 0.77108 0.78194 0.78541 0.82545 0.89511 1.05304 1.05788 1.05882 1.06986 1.07383 1.08720 1.09741 1.09988 1.10759 1.11477 1.12124 1.13145 1.13357 1.13996 1.14798 1.15542 1.16035 1.17300 1.17554 1.18496 1.18938 1.20630 1.21225 1.22524 1.22916 1.24235 1.25984 1.28194 1.30798 1.33275 1.35037 1.36544 1.36931 1.38573 1.39287 1.40496 1.41846 1.43001 1.43346 1.44120 1.45562 1.45712 1.47476 1.49345 1.49506 1.49934 1.50346 1.51317 1.52120 1.52661 1.53959 1.54440 1.55523 1.56312 1.57369 1.58376 1.58831 1.59332 1.60727 1.61348 1.61781 1.63066 1.64222 1.65098 1.66609 1.67683 1.68934 1.70240 1.72083 1.74238 1.75336 1.77021 1.78308 1.78750 1.80077 1.81588 1.84850 1.86228 1.87608 1.89237 1.89940 1.91924 1.94944 1.96115 2.10613 2.12083 2.16770 2.19168 2.20416 2.21972 2.24351 2.26030 2.27648 2.29481 2.31348 2.34479 2.37031 2.40992 2.41519 2.42813 2.45296 2.48831 2.49069 2.49772 2.51920 2.56751 2.61461 2.66252 2.75079 2.75268 2.76633 2.78234 2.79474 2.79898 2.81165 2.82482 2.84144 2.85123 2.86209 2.86936 2.88871 2.90248 2.92014 2.93033 3.17232 3.17823 3.20167 3.20679 3.21403 3.22889 3.23200 3.24676 3.24862 3.25434 3.25900 3.26158 3.26695 3.26994 3.28321 3.29199 3.33251 3.33728 3.34432 3.39484 3.43716 3.44925 3.45686 3.46287 3.47654 3.48404 3.49721 3.63221 3.79503 3.80157 3.80961 3.83107 3.83693 3.84926 3.88402 3.88696 3.90451 3.92107 3.92991 3.93698 3.95128 3.96139 3.99220 3.99550 4.00217 4.02042 4.02845 4.03474 4.04473 4.04798 4.06251 4.07613 4.08663 4.09088 4.21865 4.35694 4.37694 4.48270 4.77655 4.78346 5.11236 5.12371 5.13668 5.13890 5.15593 5.16943 5.20652 5.25859 5.28157 5.41665 5.45065 5.48398 5.50576 5.53542 5.54515 5.55612 5.57682 5.60229 5.68265 5.75399 5.77640 5.78168 5.78885 5.80289 5.81779 5.83565 5.88397 6.44009 6.45525 6.47762 6.52942 6.54350 6.57047 6.61574 6.73285 6.73958 14.69304 49.97100 50.01427 50.02021 50.02956 50.03796 50.04548 50.05615 50.07661 50.08287 66.95250 66.96469 66.97744 1-A. 4.1097 -0.1713 -1.2894 4.3106 -128.9416 -107.7951 -99.7829 9.9957 -2.4992 0.5903 -16.7684 4.3781 12.3903 9.9957 -2.4992 0.5903 59.9632 -16.1277 -11.4076 29.3956 21.3045 -3.6023 6.2497 -31.7414 3.4381 4.7077 -3345.0445 -1442.5838 -847.4261 153.5035 -12.8798 108.1029 -18.0716 -12.8629 15.2160 -686.9961 -759.2845 -354.0100 4.5921 -2.5591 -0.6716 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 0 0 211.8008096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;22;25;28;6;7;8;9;11;13;14;15;17;19;21;23;24;26;27;29;30/rA:30nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.6336,-1.3039,-.1204;-1.9942,-1.612,.0695;-.0792,-.9083,1.1384;.0529,-2.4582,-.5863;-.4461,-.1997,-1.0602;-.3647,-.5351,-1.9576;3.683,.6952,-2.9042;-2.8616,.8993,1.8193;2.962,-1.0935,.562;-1.2439,1.2827,2.6367;-.8698,2.0271,2.1173;2.8726,-2.081,-1.0055;2.905,-1.3749,-1.6777;-.7671,.5077,2.3079;1.9422,-2.3517,-.9611;-3.5471,.6347,1.1695;-3.2427,-.2298,.8573;2.8746,.2678,-2.6098;2.5151,.8363,-1.8855;2.7555,-.4568,1.2785;1.8721,-.7284,1.5654;-2.2289,2.0582,-.878;-1.6731,1.2824,-1.0671;-2.8699,1.7018,-.2297;-.2889,3.1949,.8128;-.9926,2.971,.1674;.5164,2.8129,.4254;1.6972,1.4393,-.455;2.1613,.9285,.2462;.8945,.9007,-.6287; 0.000000 1.407921 0.000000 1.431250 2.303279 0.000000 1.421532 2.310150 2.322632 0.000000 1.462081 2.380572 2.338927 2.361051 0.000000 2.009692 2.814994 3.131494 2.398582 0.961539 0.000000 5.511728 6.811507 5.750485 5.338045 4.609901 4.335130 0.000000 3.685182 3.181294 3.387112 5.055108 3.915815 4.749467 8.073714 0.000000 3.665825 5.007547 3.100890 3.412370 3.878935 4.210385 3.966644 6.282230 0.000000 3.829494 3.941180 2.898633 5.105363 4.062168 5.018546 7.437869 1.852537 5.257495 0.000000 4.019834 4.324445 3.193727 5.317859 3.903179 4.839994 6.907825 2.308216 5.180795 0.981755 0.000000 3.698693 5.006099 3.832059 2.875525 3.815251 3.711589 3.459668 7.052819 1.854818 6.444104 6.374524 0.000000 3.866776 5.206842 4.129643 3.240271 3.604550 3.387383 2.528851 7.117230 2.258096 6.549172 6.342395 0.975429 0.000000 3.032577 3.318034 1.961113 4.224444 3.456526 4.409578 6.856020 2.186047 4.417991 0.967548 1.534765 5.561269 5.737103 0.000000 2.905048 4.135765 3.252342 1.929066 3.216395 3.100745 4.011231 6.432434 2.223336 6.025406 6.046395 0.969986 1.547478 5.118941 0.000000 3.729711 2.944322 3.795808 5.060540 3.909439 4.612529 8.298999 0.980932 6.761999 2.806642 3.163075 7.301918 7.333160 3.006736 6.602330 0.000000 2.986197 2.022373 3.247661 4.232163 3.390947 4.037373 7.935378 1.531478 6.271531 3.073914 3.508795 6.655372 6.747774 2.962542 5.890059 0.968178 0.000000 4.579823 5.866618 4.914995 4.414502 3.694202 3.400397 0.960680 7.274579 3.452758 6.746743 6.281857 2.844419 1.888999 6.124025 3.232574 7.460296 7.049104 0.000000 4.196511 5.490920 4.349521 4.313304 3.244022 3.190485 1.556112 6.529856 3.148736 5.897535 5.375786 3.068033 2.254929 5.335382 3.368432 6.791527 6.466265 0.988406 0.000000 3.763023 5.035456 2.873832 3.845459 3.973170 4.496009 4.436489 5.803703 0.980524 4.567970 4.473987 2.805100 3.099144 3.794579 3.044395 6.397354 6.017270 3.957054 3.426515 0.000000 3.074286 4.238663 2.005481 3.306298 3.542226 4.177574 5.028322 5.012088 1.525835 3.860297 3.926271 3.072510 3.464550 3.007410 3.003931 5.601968 5.187562 4.407979 3.843323 0.967793 0.000000 3.797769 3.797772 4.181781 5.068515 2.882620 3.371380 6.396368 3.003195 6.241224 3.731622 3.289406 6.570708 6.227591 3.832906 6.070617 2.820744 3.045338 5.678904 5.001392 5.984985 5.527525 0.000000 2.943813 3.126083 3.493427 4.147588 1.924068 2.410041 5.692734 3.144995 5.457426 3.728644 3.367591 5.655017 5.328524 3.579384 5.127216 2.989004 2.907561 4.908202 4.290684 5.304641 4.851989 0.972914 0.000000 3.747979 3.440530 4.058579 5.096618 3.190594 3.776994 7.148891 2.200569 6.515507 3.321980 3.100727 6.920059 6.701679 3.505266 6.334201 1.885487 2.247529 6.381240 5.699953 6.211208 5.622657 0.978924 1.519728 0.000000 4.607520 5.154281 4.121422 5.833745 3.880235 4.646958 5.986725 3.591871 5.387247 2.809831 1.844711 6.413799 6.106359 3.112092 6.236200 4.159060 4.522740 5.503646 4.550495 4.777073 4.541909 2.813274 3.017919 3.158735 0.000000 4.299634 4.692161 4.101948 5.580142 3.443700 4.147669 6.039516 3.242489 5.684682 3.001801 2.169813 6.468272 6.122381 3.271148 6.182113 3.603873 3.972863 5.475014 4.590884 5.199315 4.883308 1.858633 2.199677 2.300589 0.980743 0.000000 4.309120 5.099918 3.835360 5.387323 3.494173 4.202908 5.059477 4.124993 4.610831 3.214024 2.324124 5.616877 5.259903 3.241139 5.534326 4.670162 4.855426 4.609899 3.639021 4.053638 3.959572 3.131340 3.060082 3.623645 0.971895 1.539098 0.000000 3.615235 4.817873 3.347480 4.232266 2.765256 3.226101 3.239730 5.123135 3.008227 4.270062 3.681289 3.751981 3.297580 3.817636 3.832548 5.548804 5.376868 2.720673 1.754770 2.778517 2.968458 3.997027 3.429029 4.580175 2.938381 3.157325 2.013962 0.000000 3.595759 4.873743 3.031416 4.075378 3.127029 3.657825 3.506474 5.263510 2.197644 4.175581 3.727675 3.336190 3.092048 3.605988 3.502275 5.790038 5.560414 3.017022 2.162919 1.826954 2.137624 4.670524 4.068485 5.112449 3.385421 3.758349 2.507689 0.983856 0.000000 2.730150 3.891712 2.709812 3.463027 1.787269 2.326601 3.605000 4.483385 3.109590 3.921962 3.452864 3.597975 3.212669 3.396921 3.433159 4.799171 4.539002 2.871618 2.051912 2.990585 2.902394 3.340273 2.632548 3.869292 2.956657 2.912252 2.215983 0.982176 1.539831 0.000000 BF3H17O9(1-) 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 0 0 211.8008096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;22;25;28;6;7;8;9;11;13;14;15;17;19;21;23;24;26;27;29;30/rA:30nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0224,-1.5088,-.209;-1.1463,-2.3184,-.4616;-.1419,-.9675,1.1105;1.1566,-2.2998,-.28;.0709,-.3904,-1.1461;.585,-.6436,-1.9181;3.9502,2.0656,-1.5584;-3.4373,-.3796,.5935;2.7444,.0391,1.6313;-2.481,.569,1.8653;-2.2462,1.4143,1.4247;3.5905,-.8626,.2487;3.6006,-.1788,-.4468;-1.67,.0445,1.8082;2.8746,-1.4692,.003;-3.6966,-.8673,-.2172;-3.0068,-1.5407,-.3076;3.3069,1.3537,-1.5115;2.5306,1.7209,-1.0221;2.0774,.528,2.1579;1.3152,-.0684,2.1547;-2.3522,1.0094,-1.838;-1.5231,.5104,-1.7377;-3.0044,.4169,-1.4117;-1.7076,2.7521,.2743;-1.9989,2.2949,-.543;-.7373,2.7178,.2306;1.095,1.9249,-.0339;1.4295,1.6103,.8362;.665,1.1257,-.4095; 0.6025540 0.3678340 0.3137343 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= 399 399 399 399 399 MxSgAt= 30 MxSgA2= 30. 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= 388 RedAO= T EigKep= 1.68D-04 NBF= 388 NBsUse= 388 1.00D-06 EigRej= -1.00D+00 NBFU= 388 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= 400 399 399 400 400 MxSgAt= 30 MxSgA2= 30. 1 1.61688021e+00 -6.73818863e-02 -5.07301427e-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 29 30 5 9 9 9 8 1 1 1 1 8 1 8 1 1 1 8 1 8 1 8 1 8 1 1 8 1 1 8 1 1 -0.000244748 0.001559315 -0.001873633 -0.009120926 0.000222505 0.001285303 0.004771214 0.005071646 0.007932735 0.006683772 -0.005405254 -0.004447616 0.000372012 0.005961113 -0.001447161 -0.000255927 -0.001691479 -0.001500938 0.003377050 0.001849188 -0.000856065 0.000711078 0.000333427 0.002606499 0.001092580 -0.002022760 -0.000643395 -0.003250690 0.001634407 0.001775362 0.001705651 0.001572523 -0.000195298 0.003151762 -0.000004520 0.001790751 -0.000455624 0.000950525 -0.002709755 0.003133002 -0.004923986 -0.001690980 -0.005823291 -0.002320016 0.000397917 -0.002157318 0.003007337 -0.000989483 0.001236112 -0.005571037 -0.001495718 -0.000717368 -0.003588049 -0.001610523 -0.001090065 0.002499239 0.001873297 0.002372122 0.002595236 0.000296487 -0.004900083 -0.001671941 0.002169654 0.000048814 0.003734353 -0.000396653 0.002962411 -0.004763388 -0.001029903 -0.002770361 -0.000736095 0.000951410 -0.000944403 0.001793314 0.003091870 -0.001342475 0.000351225 -0.002423407 0.004201706 -0.001198757 -0.002338634 -0.000352162 0.003318684 0.000461259 0.000879236 0.000026948 0.001091479 -0.003273080 -0.002583702 -0.000074860 0.009120926 0.002867885 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1012.50045410649 -1012.50045465275 -0.000000546258 -1012.50045464852 0.000000004238 -1012.50045466258 -0.000000014062 -1012.50045466283 -0.000000000250 -1012.50045466285 -0.000000000027 -1012.50045466 6 1.009396003478e+03 -4.562072096115e+03 1.467608512588e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1415248064 LenY= 1415086822 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) PT20848.300S Tue Aug 1 18:35:47 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 29 30 B F F F O H H H H O H O H H H O H O H O H O H H O H H O H H 1.037883 -0.408649 -0.518383 -0.432336 -0.868928 0.278313 0.242840 0.385436 0.376550 -0.681332 0.402631 -0.662121 0.379432 0.278196 0.283479 -0.693804 0.285220 -0.668085 0.394575 -0.676150 0.290594 -0.703655 0.321417 0.381413 -0.727421 0.362416 0.353087 -0.818743 0.407905 0.398219 -1.00000 -24.54243 -24.53779 -24.53090 -19.03602 -19.02549 -19.01907 -19.01549 -19.01285 -18.99800 -18.99771 -18.99585 -18.99566 -6.75173 -1.09170 -1.05119 -1.04527 -0.92948 -0.91603 -0.91007 -0.90403 -0.89878 -0.89353 -0.88550 -0.88518 -0.87287 -0.47437 -0.45029 -0.43796 -0.42696 -0.42353 -0.41945 -0.41306 -0.40592 -0.40443 -0.40020 -0.39035 -0.38856 -0.33686 -0.32580 -0.31824 -0.30908 -0.30259 -0.29658 -0.29372 -0.29260 -0.28491 -0.27956 -0.27657 -0.26974 -0.26278 -0.25931 -0.25164 -0.23323 -0.22388 -0.21760 -0.21427 -0.20454 -0.20175 -0.19553 -0.19233 -0.18561 0.08707 0.11704 0.12341 0.13018 0.14307 0.17594 0.18153 0.18520 0.19143 0.20813 0.21772 0.22405 0.22703 0.23420 0.23553 0.23979 0.25230 0.25451 0.25940 0.26765 0.27457 0.27680 0.28271 0.28574 0.29508 0.30245 0.30371 0.31202 0.31291 0.31832 0.32843 0.33147 0.33434 0.33950 0.34249 0.35082 0.35381 0.35741 0.36182 0.36424 0.36855 0.37304 0.37382 0.37933 0.38476 0.38814 0.38977 0.39395 0.39554 0.40957 0.41161 0.42073 0.42564 0.42988 0.44457 0.45907 0.46650 0.46899 0.48203 0.49254 0.51346 0.52506 0.53346 0.54591 0.57093 0.58197 0.58597 0.59966 0.60639 0.61433 0.62504 0.63865 0.64013 0.64358 0.65005 0.65216 0.66040 0.66715 0.67264 0.67967 0.69656 0.70427 0.71357 0.71821 0.72728 0.74926 0.75221 0.75753 0.76255 0.76946 0.77970 0.79333 0.83822 0.89541 1.04722 1.05755 1.06428 1.07225 1.08233 1.08720 1.09252 1.10575 1.11183 1.11666 1.12817 1.13008 1.13611 1.14602 1.15433 1.15668 1.16367 1.17209 1.17904 1.18249 1.19241 1.21305 1.21834 1.22699 1.24404 1.25446 1.27127 1.29801 1.30519 1.34342 1.34911 1.36400 1.38686 1.39159 1.39442 1.41419 1.41993 1.42797 1.43624 1.44471 1.45606 1.46466 1.48092 1.48584 1.49562 1.49819 1.50822 1.51049 1.52028 1.52475 1.53285 1.54390 1.55316 1.55936 1.57856 1.58933 1.59391 1.60308 1.61231 1.61640 1.61938 1.62742 1.63800 1.65565 1.66565 1.67856 1.68525 1.70579 1.71090 1.74942 1.76331 1.77059 1.78938 1.79260 1.81502 1.83229 1.84593 1.86623 1.87857 1.88814 1.89540 1.91267 1.94715 1.96316 2.09366 2.11754 2.19399 2.21892 2.23869 2.25905 2.27604 2.30034 2.30471 2.31448 2.33059 2.35698 2.36505 2.39034 2.39910 2.43489 2.45723 2.47290 2.47620 2.48926 2.52186 2.55025 2.57150 2.62050 2.72713 2.74249 2.76468 2.77288 2.78285 2.79479 2.80821 2.81805 2.84054 2.84768 2.86297 2.86816 2.89166 2.91245 2.93007 2.93438 3.16402 3.16776 3.20136 3.21158 3.22227 3.23114 3.23592 3.24584 3.24775 3.25101 3.26399 3.26551 3.27031 3.27463 3.28048 3.29707 3.31335 3.33170 3.33337 3.40139 3.44055 3.45468 3.46004 3.46249 3.47495 3.48659 3.49842 3.63084 3.79189 3.79517 3.80201 3.82793 3.83435 3.85261 3.88160 3.88604 3.90342 3.91596 3.93346 3.94138 3.94865 3.96178 3.98314 3.99932 4.01262 4.01551 4.02671 4.03156 4.04448 4.04955 4.05661 4.06620 4.07863 4.08382 4.19770 4.33354 4.34972 4.46091 4.76724 4.77223 5.08515 5.13270 5.14265 5.14747 5.16225 5.17616 5.21138 5.27114 5.28738 5.41350 5.45090 5.47739 5.50592 5.53005 5.54029 5.56409 5.57825 5.60496 5.67672 5.74140 5.76651 5.77758 5.78445 5.79980 5.81008 5.83208 5.87304 6.44014 6.45182 6.51166 6.52917 6.55413 6.56982 6.64692 6.74873 6.78058 14.66329 49.96562 50.01799 50.02326 50.02954 50.03740 50.04761 50.05144 50.07125 50.08260 66.94586 66.95552 66.97475 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 29 30 B F F F O H H H H O H O H H H O H O H O H O H H O H H O H H 1.065917 -0.397645 -0.543264 -0.431921 -0.891754 0.295681 0.261163 0.368443 0.363987 -0.668758 0.386214 -0.653471 0.363572 0.274663 0.283089 -0.681771 0.288711 -0.674336 0.372901 -0.661992 0.289618 -0.692430 0.327055 0.362715 -0.717058 0.356266 0.349625 -0.812033 0.405089 0.411725 -1.00000 1.78208827e+00 -9.99809658e-03 -8.41432213e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 4.5296 -0.0254 -2.1387 5.0092 -127.1024 -105.6903 -99.5656 11.0196 -6.5104 -2.0383 -16.3163 5.0958 11.2205 11.0196 -6.5104 -2.0383 62.6692 -18.0644 -16.5125 36.0296 31.4422 -19.4430 13.2478 -25.3801 -3.0525 -6.1260 -3112.5056 -1395.4394 -885.5910 140.7803 -90.2996 123.1817 -33.4282 -34.2616 2.6238 -652.7461 -687.5005 -337.2877 -34.7560 -26.6420 18.4362 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1012.5004547 9.508E-9 1.595E-5 -5.2833513,-3.912593,9.1959443,10.8451284,1.2125356,-5.0415998 C01 [X(B1F3H17O9)] 1.2396773 -0.5671658 -1.42319 0.000009779 -0.000018926 -0.000014485 -0.000037786 -0.000001363 0.000007928 -0.000015881 0.000015171 0.000023225 0.000009730 -0.000010290 -0.000009843 -0.000006021 0.000007724 -0.000004092 0.000003763 0.000002586 -0.000005603 0.000012906 -0.000001827 -0.000000722 0.000003268 0.000009369 -0.000008120 -0.000001741 -0.000007631 -0.000013401 -0.000028441 -0.000020028 0.000027730 0.000013362 0.000023940 -0.000025370 0.000009150 -0.000012769 -0.000008587 0.000007783 0.000018244 -0.000006994 0.000046259 0.000000801 -0.000004649 -0.000011210 -0.000001236 0.000006921 -0.000026170 0.000012511 -0.000002906 0.000012058 -0.000020831 -0.000011549 -0.000013787 -0.000015238 -0.000008344 -0.000005273 0.000014332 0.000012672 0.000019226 0.000016144 0.000009774 -0.000024821 -0.000002565 0.000005247 0.000018487 0.000012502 0.000003415 -0.000000373 -0.000020064 -0.000008237 -0.000013517 -0.000008711 0.000028305 -0.000007421 0.000016217 0.000039762 0.000000649 0.000001995 -0.000029137 0.000003761 -0.000007019 -0.000006568 -0.000033080 0.000017084 0.000006731 0.000030052 -0.000015726 0.000009511 0.000025287 -0.000004395 -0.000012614 211.8008096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;22;25;28;6;7;8;9;11;13;14;15;17;19;21;23;24;26;27;29;30/rA:30nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.6336,-1.3039,-.1204;-1.9942,-1.612,.0695;-.0792,-.9083,1.1384;.0529,-2.4582,-.5863;-.4461,-.1997,-1.0602;-.3647,-.5351,-1.9576;3.683,.6952,-2.9042;-2.8616,.8993,1.8193;2.962,-1.0935,.562;-1.2439,1.2827,2.6367;-.8698,2.0271,2.1173;2.8726,-2.081,-1.0055;2.905,-1.3749,-1.6777;-.7671,.5077,2.3079;1.9422,-2.3517,-.9611;-3.5471,.6347,1.1695;-3.2427,-.2298,.8573;2.8746,.2678,-2.6098;2.5151,.8363,-1.8855;2.7555,-.4568,1.2785;1.8721,-.7284,1.5654;-2.2289,2.0582,-.878;-1.6731,1.2824,-1.0671;-2.8699,1.7018,-.2297;-.2889,3.1949,.8128;-.9926,2.971,.1674;.5164,2.8129,.4254;1.6972,1.4393,-.455;2.1613,.9285,.2462;.8945,.9007,-.6287; Gaussian 16 GINC-CIBELES2-166 LAMSABHI Optimization acidity/ CONF15 gas EM64L-G16RevC.01 84 C1[X(BF3H17O9)] 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 0 0 211.8008096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;22;25;28;6;7;8;9;11;13;14;15;17;19;21;23;24;26;27;29;30/rA:30nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.6336,-1.3039,-.1204;-1.9942,-1.612,.0695;-.0792,-.9083,1.1384;.0529,-2.4582,-.5863;-.4461,-.1997,-1.0602;-.3647,-.5351,-1.9576;3.683,.6952,-2.9042;-2.8616,.8993,1.8193;2.962,-1.0935,.562;-1.2439,1.2827,2.6367;-.8698,2.0271,2.1173;2.8726,-2.081,-1.0055;2.905,-1.3749,-1.6777;-.7671,.5077,2.3079;1.9422,-2.3517,-.9611;-3.5471,.6347,1.1695;-3.2427,-.2298,.8573;2.8746,.2678,-2.6098;2.5151,.8363,-1.8855;2.7555,-.4568,1.2785;1.8721,-.7284,1.5654;-2.2289,2.0582,-.878;-1.6731,1.2824,-1.0671;-2.8699,1.7018,-.2297;-.2889,3.1949,.8128;-.9926,2.971,.1674;.5164,2.8129,.4254;1.6972,1.4393,-.455;2.1613,.9285,.2462;.8945,.9007,-.6287; Optimization acidity/ CONF15 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 29 30 11 19 19 19 16 1 1 1 1 16 1 16 1 1 1 16 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 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 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 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/9H2O/9Agua-BF3/acidity/gas/CONF15/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 R31 R32 R33 1 1 1 1 3 5 5 5 7 8 8 9 9 10 10 11 12 12 13 16 16 18 19 20 20 22 22 22 25 25 27 28 28 2 3 4 5 14 6 23 30 18 10 16 12 20 11 14 25 13 15 18 17 24 19 28 21 29 23 24 26 26 27 28 29 30 1.4079 1.4312 1.4215 1.4621 1.9611 0.9615 1.9241 1.7873 0.9607 1.8525 0.9809 1.8548 0.9805 0.9818 0.9675 1.8447 0.9754 0.97 1.889 0.9682 1.8855 0.9884 1.7548 0.9678 1.827 0.9729 0.9789 1.8586 0.9807 0.9719 2.014 0.9839 0.9822 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 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 2 2 2 3 3 4 1 1 1 1 6 6 23 8 8 11 9 9 13 3 8 8 17 7 7 13 9 9 21 23 23 24 16 11 11 26 22 25 19 19 19 27 27 29 20 1 1 1 1 1 1 3 5 5 5 5 5 5 10 10 10 12 12 12 14 16 16 16 18 18 18 20 20 20 22 22 22 24 25 25 25 26 27 28 28 28 28 28 28 29 3 4 5 4 5 5 14 6 23 30 23 30 30 11 14 14 13 15 15 10 17 24 24 13 19 19 21 29 29 24 26 26 22 26 27 27 25 28 27 29 30 29 30 30 28 108.4338 109.4641 112.0743 109.0091 107.8722 109.9182 126.0308 110.325 120.155 113.9519 108.6247 112.1194 90.2827 104.8481 96.5795 103.8729 101.2702 98.9855 105.395 162.5333 103.5749 95.0438 98.8065 121.6386 105.9426 98.306 103.0988 98.5144 94.7861 102.2672 96.9482 103.9929 158.8675 95.4438 107.0945 104.0371 163.6435 158.1487 149.775 100.5302 92.7679 108.6074 88.4048 103.1122 161.7667 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 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 10 12 10 12 18 5 5 10 12 10 12 18 5 5 8 9 11 13 19 23 30 8 9 11 13 19 23 30 16 20 25 18 28 22 28 16 20 25 18 28 22 28 1 1 1 1 4 8 9 1 1 1 1 4 8 9 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 165.0849 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 164.4893 168.3109 172.5329 164.9424 170.9831 176.285 187.2935 188.422 174.0152 167.4476 177.2556 171.7349 174.4103 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 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 2 4 5 2 2 2 3 3 3 4 4 4 1 1 1 6 6 30 30 1 1 1 6 6 6 23 23 23 11 11 14 14 8 8 14 14 9 9 15 15 13 13 15 15 8 11 8 17 7 7 7 13 13 13 9 21 23 26 23 24 11 27 11 26 25 25 25 19 27 30 1 1 1 1 1 1 1 1 1 1 1 1 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 10 10 16 16 18 18 18 18 18 18 20 20 22 22 22 22 25 25 25 25 27 27 27 28 28 28 3 3 3 5 5 5 5 5 5 5 5 5 14 22 22 22 22 22 22 28 28 28 28 28 28 28 28 28 16 16 16 16 25 25 25 25 18 18 18 18 20 20 20 20 14 14 24 24 28 28 28 28 28 28 29 29 24 24 26 26 26 26 27 27 28 28 28 29 29 29 14 14 14 6 23 30 6 23 30 6 23 30 10 24 26 24 26 24 26 19 27 29 19 27 29 19 27 29 17 24 17 24 26 27 26 27 7 19 7 19 21 29 21 29 3 3 22 22 27 29 30 27 29 30 28 28 16 16 25 25 22 22 28 28 19 29 30 20 20 20 -54.3224 -173.4217 67.2583 -90.0598 37.4624 142.7891 150.6463 -81.8315 23.4952 31.9052 159.4274 -95.2459 -17.3676 -8.383 95.8866 122.1307 -133.5996 -124.6574 -20.3877 111.3581 -98.8516 10.8391 -13.3021 136.4881 -113.8211 -124.0792 25.7111 135.4019 111.8898 13.2715 7.1423 -91.476 -11.4718 -116.5497 86.6743 -18.4035 87.3752 -24.1378 -172.7458 75.7412 115.3673 20.5982 9.0198 -85.7493 43.699 -63.4102 56.3334 -48.2692 83.3588 -89.7227 167.2183 -151.7246 35.1938 -67.8652 43.3808 -60.653 31.6033 -68.8694 -39.3962 65.138 -40.3636 68.7957 53.6606 -46.6624 103.6703 -92.3926 10.9097 -65.9968 122.1479 29.3815 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|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. 0.00037 0.00038 0.00055 0.00063 0.00084 0.00101 0.00133 0.00209 0.00334 0.00366 0.00384 0.00416 0.00524 0.00575 0.00608 0.00614 0.00668 0.00761 0.00815 0.00860 0.00910 0.00955 0.00982 0.01048 0.01093 0.01153 0.01271 0.01333 0.01372 0.01437 0.01484 0.01565 0.01672 0.01728 0.01766 0.02003 0.02102 0.02150 0.02206 0.02304 0.02421 0.02466 0.02515 0.02616 0.02820 0.03073 0.03548 0.03817 0.04545 0.04634 0.05628 0.06028 0.06427 0.07062 0.07297 0.08292 0.09693 0.09814 0.10215 0.11732 0.14458 0.15466 0.22143 0.25001 0.25677 0.29554 0.37642 0.42590 0.42872 0.43479 0.44490 0.45513 0.46060 0.46642 0.46792 0.47487 0.48210 0.50170 0.51003 0.51263 0.51515 0.53951 0.54361 0.56757 Angle between quadratic step and forces= 79.10 degrees. 1 2 3 0.00137345 0.00000354 0.00000000 0.00000464 0.00000158 0.00000158 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 R31 R32 R33 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 A53 A54 A55 A56 A57 A58 A59 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 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 2.66058 2.70467 2.68631 2.76293 3.70597 1.81704 3.63596 3.37745 1.81542 3.50079 1.85369 3.50510 1.85292 1.85525 1.82840 3.48600 1.84329 1.83301 3.56969 1.82959 3.56305 1.86782 3.31603 1.82886 3.45244 1.83854 1.84990 3.51231 1.85334 1.83661 3.80584 1.85922 1.85604 1.89253 1.91051 1.95607 1.90257 1.88273 1.91844 2.19965 1.92553 2.09710 1.98884 1.89586 1.95685 1.57573 1.82994 1.68563 1.81292 1.76750 1.72762 1.83949 2.83674 1.80772 1.65883 1.72450 2.12299 1.84905 1.71576 1.79941 1.71940 1.65433 1.78490 1.69206 1.81502 2.77276 1.66581 1.86915 1.81579 2.85612 2.76022 2.61407 1.75458 1.61911 1.89556 1.54295 1.79965 2.82336 2.88128 2.87088 2.93758 3.01127 2.87879 2.98422 3.07675 3.26889 3.28858 3.03714 2.92251 3.09369 2.99734 3.04403 -0.94810 -3.02678 1.17388 -1.57184 0.65384 2.49214 2.62927 -1.42823 0.41007 0.55685 2.78253 -1.66235 -0.30312 -0.14631 1.67354 2.13158 -2.33175 -2.17568 -0.35583 1.94357 -1.72529 0.18918 -0.23217 2.38217 -1.98655 -2.16559 0.44874 2.36321 1.95285 0.23163 0.12466 -1.59656 -0.20022 -2.03418 1.51275 -0.32120 1.52498 -0.42128 -3.01498 1.32193 2.01354 0.35951 0.15742 -1.49661 0.76269 -1.10672 0.98320 -0.84246 1.45489 -1.56596 2.91851 -2.64809 0.61425 -1.18447 0.75714 -1.05859 0.55158 -1.20200 -0.68759 1.13687 -0.70448 1.20071 0.93655 -0.81441 1.80939 -1.61255 0.19041 -1.15186 2.13188 0.51280 0.00004 0.00002 0.00002 0.00002 -0.00001 0.00000 -0.00001 0.00002 0.00001 0.00001 0.00001 0.00000 0.00002 0.00003 0.00002 -0.00001 0.00001 0.00001 -0.00001 0.00003 -0.00001 0.00002 -0.00000 0.00002 -0.00001 0.00001 0.00002 -0.00000 0.00001 0.00001 0.00001 0.00002 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -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 0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00001 -0.00000 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 0.00001 0.00000 0.00001 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -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 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00000 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 0.00001 0.00002 0.00051 0.00001 -0.00032 0.00056 0.00003 0.00058 -0.00000 0.00039 0.00003 0.00010 0.00002 -0.00057 0.00005 0.00002 -0.00065 0.00006 -0.00077 0.00002 0.00029 0.00007 -0.00003 0.00003 0.00008 -0.00051 0.00008 0.00004 -0.00028 0.00005 -0.00003 -0.00006 0.00005 0.00003 0.00006 -0.00010 0.00002 0.00136 0.00017 -0.00061 0.00024 0.00048 -0.00010 -0.00024 0.00004 0.00061 0.00001 -0.00023 -0.00058 0.00002 -0.00070 0.00006 -0.00085 -0.00015 -0.00149 0.00004 0.00037 0.00002 0.00011 0.00006 0.00002 0.00133 0.00048 0.00023 -0.00023 -0.00141 -0.00020 -0.00028 -0.00023 -0.00191 0.00003 -0.00102 0.00182 0.00110 -0.00007 -0.00064 0.00065 0.00006 -0.00025 0.00058 -0.00081 -0.00016 0.00021 0.00038 0.00007 0.00088 0.00049 0.00025 -0.00056 0.00001 -0.00303 -0.00310 -0.00309 -0.00033 -0.00001 -0.00053 -0.00021 0.00010 -0.00041 -0.00024 0.00008 -0.00044 0.01485 0.00090 0.00157 0.00124 0.00191 0.00101 0.00168 0.00151 -0.00043 0.00169 0.00111 -0.00083 0.00130 0.00074 -0.00119 0.00093 0.00046 0.00073 0.00026 0.00053 -0.00066 -0.00025 0.00001 0.00041 0.00132 0.00134 0.00077 0.00080 -0.00136 -0.00145 -0.00125 -0.00133 -0.01175 -0.01197 0.00102 0.00113 0.00128 0.00129 0.00154 -0.00026 -0.00025 0.00000 0.00289 0.00284 -0.00059 -0.00214 -0.00325 -0.00275 0.00328 0.00169 0.00065 0.00141 -0.00079 -0.00095 -0.00055 -0.00232 -0.00177 -0.00340 0.00010 0.00011 0.00001 0.00002 0.00050 0.00001 -0.00032 0.00056 0.00003 0.00058 -0.00000 0.00039 0.00003 0.00010 0.00002 -0.00057 0.00005 0.00002 -0.00065 0.00006 -0.00077 0.00002 0.00029 0.00007 -0.00003 0.00003 0.00008 -0.00051 0.00008 0.00004 -0.00028 0.00005 -0.00003 -0.00005 0.00005 0.00002 0.00006 -0.00010 0.00002 0.00135 0.00017 -0.00061 0.00024 0.00048 -0.00010 -0.00024 0.00004 0.00061 0.00001 -0.00023 -0.00058 0.00002 -0.00071 0.00006 -0.00085 -0.00015 -0.00149 0.00004 0.00037 0.00002 0.00011 0.00006 0.00001 0.00133 0.00049 0.00022 -0.00023 -0.00141 -0.00020 -0.00028 -0.00023 -0.00191 0.00003 -0.00102 0.00182 0.00110 -0.00007 -0.00064 0.00065 0.00006 -0.00025 0.00058 -0.00081 -0.00016 0.00021 0.00038 0.00007 0.00089 0.00049 0.00025 -0.00056 0.00001 -0.00304 -0.00310 -0.00310 -0.00033 -0.00001 -0.00053 -0.00021 0.00010 -0.00041 -0.00024 0.00008 -0.00044 0.01485 0.00090 0.00157 0.00124 0.00191 0.00101 0.00168 0.00151 -0.00043 0.00170 0.00111 -0.00083 0.00130 0.00074 -0.00119 0.00093 0.00046 0.00073 0.00026 0.00053 -0.00066 -0.00025 0.00001 0.00041 0.00132 0.00134 0.00077 0.00080 -0.00136 -0.00145 -0.00125 -0.00133 -0.01174 -0.01197 0.00102 0.00113 0.00128 0.00129 0.00154 -0.00026 -0.00025 0.00001 0.00289 0.00284 -0.00059 -0.00214 -0.00325 -0.00276 0.00327 0.00169 0.00065 0.00141 -0.00079 -0.00095 -0.00055 -0.00232 -0.00177 -0.00340 2.66068 2.70478 2.68631 2.76296 3.70647 1.81705 3.63564 3.37801 1.81545 3.50137 1.85369 3.50549 1.85295 1.85535 1.82842 3.48543 1.84335 1.83303 3.56904 1.82965 3.56229 1.86784 3.31632 1.82893 3.45241 1.83857 1.84998 3.51180 1.85341 1.83665 3.80556 1.85927 1.85601 1.89247 1.91056 1.95609 1.90263 1.88262 1.91846 2.20100 1.92570 2.09649 1.98908 1.89634 1.95675 1.57549 1.82998 1.68624 1.81293 1.76727 1.72704 1.83951 2.83603 1.80779 1.65797 1.72434 2.12150 1.84909 1.71613 1.79944 1.71951 1.65439 1.78491 1.69339 1.81550 2.77298 1.66558 1.86774 1.81559 2.85583 2.75999 2.61215 1.75461 1.61808 1.89737 1.54406 1.79958 2.82272 2.88192 2.87094 2.93733 3.01185 2.87797 2.98405 3.07697 3.26927 3.28866 3.03802 2.92300 3.09395 2.99678 3.04404 -0.95114 -3.02988 1.17078 -1.57217 0.65383 2.49161 2.62906 -1.42813 0.40965 0.55661 2.78261 -1.66279 -0.28827 -0.14542 1.67511 2.13282 -2.32984 -2.17467 -0.35415 1.94507 -1.72572 0.19087 -0.23106 2.38134 -1.98525 -2.16485 0.44755 2.36414 1.95330 0.23236 0.12492 -1.59602 -0.20088 -2.03443 1.51276 -0.32079 1.52630 -0.41994 -3.01421 1.32273 2.01217 0.35806 0.15617 -1.49794 0.75095 -1.11868 0.98422 -0.84133 1.45616 -1.56467 2.92005 -2.64835 0.61400 -1.18447 0.76003 -1.05575 0.55099 -1.20414 -0.69084 1.13412 -0.70120 1.20240 0.93720 -0.81301 1.80860 -1.61350 0.18986 -1.15418 2.13011 0.50940 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000038 0.000008 0.004776 0.001374 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.659940e-07 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 401 A 388 A 388 604 401 61 61 1072.6010903827 30 30 30 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) -0.0339649955 0.000000 1.407921 0.000000 1.431250 2.303279 0.000000 1.421532 2.310150 2.322632 0.000000 1.462081 2.380572 2.338927 2.361051 0.000000 2.009692 2.814994 3.131494 2.398582 0.961539 0.000000 5.511728 6.811507 5.750485 5.338045 4.609901 4.335130 0.000000 3.685182 3.181294 3.387112 5.055108 3.915815 4.749467 8.073714 0.000000 3.665825 5.007547 3.100890 3.412370 3.878935 4.210385 3.966644 6.282230 0.000000 3.829494 3.941180 2.898633 5.105363 4.062168 5.018546 7.437869 1.852537 5.257495 0.000000 4.019834 4.324445 3.193727 5.317859 3.903179 4.839994 6.907825 2.308216 5.180795 0.981755 0.000000 3.698693 5.006099 3.832059 2.875525 3.815251 3.711589 3.459668 7.052819 1.854818 6.444104 6.374524 0.000000 3.866776 5.206842 4.129643 3.240271 3.604550 3.387383 2.528851 7.117230 2.258096 6.549172 6.342395 0.975429 0.000000 3.032577 3.318034 1.961113 4.224444 3.456526 4.409578 6.856020 2.186047 4.417991 0.967548 1.534765 5.561269 5.737103 0.000000 2.905048 4.135765 3.252342 1.929066 3.216395 3.100745 4.011231 6.432434 2.223336 6.025406 6.046395 0.969986 1.547478 5.118941 0.000000 3.729711 2.944322 3.795808 5.060540 3.909439 4.612529 8.298999 0.980932 6.761999 2.806642 3.163075 7.301918 7.333160 3.006736 6.602330 0.000000 2.986197 2.022373 3.247661 4.232163 3.390947 4.037373 7.935378 1.531478 6.271531 3.073914 3.508795 6.655372 6.747774 2.962542 5.890059 0.968178 0.000000 4.579823 5.866618 4.914995 4.414502 3.694202 3.400397 0.960680 7.274579 3.452758 6.746743 6.281857 2.844419 1.888999 6.124025 3.232574 7.460296 7.049104 0.000000 4.196511 5.490920 4.349521 4.313304 3.244022 3.190485 1.556112 6.529856 3.148736 5.897535 5.375786 3.068033 2.254929 5.335382 3.368432 6.791527 6.466265 0.988406 0.000000 3.763023 5.035456 2.873832 3.845459 3.973170 4.496009 4.436489 5.803703 0.980524 4.567970 4.473987 2.805100 3.099144 3.794579 3.044395 6.397354 6.017270 3.957054 3.426515 0.000000 3.074286 4.238663 2.005481 3.306298 3.542226 4.177574 5.028322 5.012088 1.525835 3.860297 3.926271 3.072510 3.464550 3.007410 3.003931 5.601968 5.187562 4.407979 3.843323 0.967793 0.000000 3.797769 3.797772 4.181781 5.068515 2.882620 3.371380 6.396368 3.003195 6.241224 3.731622 3.289406 6.570708 6.227591 3.832906 6.070617 2.820744 3.045338 5.678904 5.001392 5.984985 5.527525 0.000000 2.943813 3.126083 3.493427 4.147588 1.924068 2.410041 5.692734 3.144995 5.457426 3.728644 3.367591 5.655017 5.328524 3.579384 5.127216 2.989004 2.907561 4.908202 4.290684 5.304641 4.851989 0.972914 0.000000 3.747979 3.440530 4.058579 5.096618 3.190594 3.776994 7.148891 2.200569 6.515507 3.321980 3.100727 6.920059 6.701679 3.505266 6.334201 1.885487 2.247529 6.381240 5.699953 6.211208 5.622657 0.978924 1.519728 0.000000 4.607520 5.154281 4.121422 5.833745 3.880235 4.646958 5.986725 3.591871 5.387247 2.809831 1.844711 6.413799 6.106359 3.112092 6.236200 4.159060 4.522740 5.503646 4.550495 4.777073 4.541909 2.813274 3.017919 3.158735 0.000000 4.299634 4.692161 4.101948 5.580142 3.443700 4.147669 6.039516 3.242489 5.684682 3.001801 2.169813 6.468272 6.122381 3.271148 6.182113 3.603873 3.972863 5.475014 4.590884 5.199315 4.883308 1.858633 2.199677 2.300589 0.980743 0.000000 4.309120 5.099918 3.835360 5.387323 3.494173 4.202908 5.059477 4.124993 4.610831 3.214024 2.324124 5.616877 5.259903 3.241139 5.534326 4.670162 4.855426 4.609899 3.639021 4.053638 3.959572 3.131340 3.060082 3.623645 0.971895 1.539098 0.000000 3.615235 4.817873 3.347480 4.232266 2.765256 3.226101 3.239730 5.123135 3.008227 4.270062 3.681289 3.751981 3.297580 3.817636 3.832548 5.548804 5.376868 2.720673 1.754770 2.778517 2.968458 3.997027 3.429029 4.580175 2.938381 3.157325 2.013962 0.000000 3.595759 4.873743 3.031416 4.075378 3.127029 3.657825 3.506474 5.263510 2.197644 4.175581 3.727675 3.336190 3.092048 3.605988 3.502275 5.790038 5.560414 3.017022 2.162919 1.826954 2.137624 4.670524 4.068485 5.112449 3.385421 3.758349 2.507689 0.983856 0.000000 2.730150 3.891712 2.709812 3.463027 1.787269 2.326601 3.605000 4.483385 3.109590 3.921962 3.452864 3.597975 3.212669 3.396921 3.433159 4.799171 4.539002 2.871618 2.051912 2.990585 2.902394 3.340273 2.632548 3.869292 2.956657 2.912252 2.215983 0.982176 1.539831 0.000000 BF3H17O9(1-) 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 0 0 211.8008096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;22;25;28;6;7;8;9;11;13;14;15;17;19;21;23;24;26;27;29;30/rA:30nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0224,-1.5088,-.209;-1.1463,-2.3184,-.4616;-.1419,-.9675,1.1105;1.1566,-2.2998,-.28;.0709,-.3904,-1.1461;.585,-.6436,-1.9181;3.9502,2.0656,-1.5584;-3.4373,-.3796,.5935;2.7444,.0391,1.6313;-2.481,.569,1.8653;-2.2462,1.4143,1.4247;3.5905,-.8626,.2487;3.6006,-.1788,-.4468;-1.67,.0445,1.8082;2.8746,-1.4692,.003;-3.6966,-.8673,-.2172;-3.0068,-1.5407,-.3076;3.3069,1.3537,-1.5115;2.5306,1.7209,-1.0221;2.0774,.528,2.1579;1.3152,-.0684,2.1547;-2.3522,1.0094,-1.838;-1.5231,.5104,-1.7377;-3.0044,.4169,-1.4117;-1.7076,2.7521,.2743;-1.9989,2.2949,-.543;-.7373,2.7178,.2306;1.095,1.9249,-.0339;1.4295,1.6103,.8362;.665,1.1257,-.4095; 0.6025540 0.3678340 0.3137343 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= 388 RedAO= T EigKep= 1.68D-04 NBF= 388 NBsUse= 388 1.00D-06 EigRej= -1.00D+00 NBFU= 388 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= 400 399 399 400 400 MxSgAt= 30 MxSgA2= 30. 1 Closed 1 1 1 -1012.50045466287 -1012.50045466 1 1.009396007683e+03 -4.562072126126e+03 1.467608538393e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1415248064 LenY= 1415086822 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= 30. Will process 31 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111 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. 9347 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= 90 IRICut= 225 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= 90 NMatS0= 90 NMatT0= 0 NMatD0= 90 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 82.02% of shell-pairs survive, threshold= 0.20 IRatSp=82. There are 93 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 90 vectors produced by pass 0 Test12= 2.14D-14 1.08D-09 XBig12= 4.71D+01 1.18D+00. AX will form 90 AO Fock derivatives at one time. 90 vectors produced by pass 1 Test12= 2.14D-14 1.08D-09 XBig12= 3.48D+00 2.07D-01. 90 vectors produced by pass 2 Test12= 2.14D-14 1.08D-09 XBig12= 3.35D-02 1.60D-02. 90 vectors produced by pass 3 Test12= 2.14D-14 1.08D-09 XBig12= 1.24D-04 8.13D-04. 90 vectors produced by pass 4 Test12= 2.14D-14 1.08D-09 XBig12= 2.43D-07 4.21D-05. 68 vectors produced by pass 5 Test12= 2.14D-14 1.08D-09 XBig12= 2.94D-10 1.12D-06. 7 vectors produced by pass 6 Test12= 2.14D-14 1.08D-09 XBig12= 2.48D-13 3.95D-08. 3 vectors produced by pass 7 Test12= 2.14D-14 1.08D-09 XBig12= 2.53D-16 2.60D-09. InvSVY: IOpt=1 It= 1 EMax= 2.66D-15 Solved reduced A of dimension 528 with 93 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 96.09 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 102.579 1.033 94.290 -1.250 -0.372 91.395 116.361 1.195 113.151 -1.846 0.811 111.310 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT9423.800S Tue Aug 1 18:55:27 2023 -24.54243 -24.53779 -24.53090 -19.03602 -19.02549 -19.01907 -19.01549 -19.01285 -18.99800 -18.99771 -18.99585 -18.99566 -6.75173 -1.09170 -1.05119 -1.04527 -0.92948 -0.91603 -0.91007 -0.90403 -0.89878 -0.89353 -0.88550 -0.88518 -0.87287 -0.47437 -0.45029 -0.43796 -0.42696 -0.42353 -0.41945 -0.41306 -0.40592 -0.40443 -0.40020 -0.39035 -0.38856 -0.33686 -0.32580 -0.31824 -0.30908 -0.30259 -0.29658 -0.29372 -0.29260 -0.28491 -0.27956 -0.27657 -0.26974 -0.26278 -0.25931 -0.25164 -0.23323 -0.22388 -0.21760 -0.21427 -0.20454 -0.20175 -0.19553 -0.19233 -0.18561 0.08707 0.11704 0.12341 0.13018 0.14307 0.17594 0.18153 0.18520 0.19143 0.20813 0.21772 0.22405 0.22703 0.23420 0.23553 0.23979 0.25230 0.25451 0.25940 0.26765 0.27457 0.27680 0.28271 0.28574 0.29508 0.30245 0.30371 0.31202 0.31291 0.31832 0.32843 0.33147 0.33434 0.33950 0.34249 0.35082 0.35381 0.35741 0.36182 0.36424 0.36855 0.37304 0.37382 0.37933 0.38476 0.38814 0.38977 0.39395 0.39554 0.40957 0.41161 0.42073 0.42564 0.42988 0.44457 0.45907 0.46650 0.46899 0.48203 0.49254 0.51346 0.52506 0.53346 0.54591 0.57093 0.58197 0.58597 0.59966 0.60639 0.61433 0.62504 0.63865 0.64013 0.64358 0.65005 0.65216 0.66040 0.66715 0.67264 0.67967 0.69656 0.70427 0.71357 0.71821 0.72728 0.74926 0.75221 0.75753 0.76255 0.76946 0.77970 0.79333 0.83822 0.89541 1.04722 1.05755 1.06428 1.07225 1.08233 1.08720 1.09252 1.10575 1.11183 1.11666 1.12817 1.13008 1.13611 1.14602 1.15433 1.15668 1.16367 1.17209 1.17904 1.18249 1.19241 1.21305 1.21834 1.22699 1.24404 1.25446 1.27127 1.29801 1.30519 1.34342 1.34911 1.36400 1.38686 1.39159 1.39442 1.41419 1.41993 1.42797 1.43624 1.44471 1.45606 1.46466 1.48092 1.48584 1.49562 1.49819 1.50822 1.51049 1.52028 1.52475 1.53285 1.54390 1.55316 1.55936 1.57856 1.58933 1.59391 1.60308 1.61231 1.61640 1.61938 1.62742 1.63800 1.65565 1.66565 1.67856 1.68525 1.70579 1.71090 1.74942 1.76331 1.77059 1.78938 1.79260 1.81502 1.83229 1.84593 1.86623 1.87857 1.88814 1.89540 1.91267 1.94715 1.96316 2.09366 2.11754 2.19399 2.21892 2.23869 2.25905 2.27604 2.30034 2.30471 2.31448 2.33059 2.35698 2.36505 2.39034 2.39910 2.43489 2.45723 2.47290 2.47620 2.48926 2.52186 2.55025 2.57150 2.62050 2.72713 2.74249 2.76468 2.77288 2.78285 2.79479 2.80821 2.81805 2.84054 2.84768 2.86297 2.86816 2.89166 2.91245 2.93007 2.93438 3.16402 3.16776 3.20136 3.21158 3.22227 3.23114 3.23592 3.24583 3.24775 3.25101 3.26399 3.26551 3.27031 3.27463 3.28048 3.29707 3.31335 3.33170 3.33337 3.40139 3.44055 3.45468 3.46004 3.46249 3.47495 3.48659 3.49842 3.63084 3.79189 3.79517 3.80201 3.82793 3.83435 3.85261 3.88160 3.88603 3.90342 3.91596 3.93346 3.94138 3.94865 3.96178 3.98314 3.99932 4.01262 4.01551 4.02671 4.03156 4.04448 4.04955 4.05661 4.06620 4.07863 4.08382 4.19770 4.33354 4.34973 4.46091 4.76724 4.77223 5.08515 5.13270 5.14265 5.14747 5.16225 5.17616 5.21138 5.27114 5.28738 5.41350 5.45090 5.47739 5.50592 5.53005 5.54029 5.56409 5.57825 5.60496 5.67672 5.74140 5.76651 5.77758 5.78445 5.79980 5.81008 5.83208 5.87304 6.44014 6.45182 6.51166 6.52917 6.55413 6.56982 6.64692 6.74873 6.78058 14.66329 49.96562 50.01799 50.02326 50.02954 50.03740 50.04761 50.05144 50.07125 50.08260 66.94586 66.95552 66.97475 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 29 30 B F F F O H H H H O H O H H H O H O H O H O H H O H H O H H 1.065917 -0.397645 -0.543264 -0.431921 -0.891754 0.295681 0.261162 0.368443 0.363987 -0.668758 0.386214 -0.653471 0.363572 0.274663 0.283089 -0.681771 0.288711 -0.674336 0.372901 -0.661993 0.289618 -0.692430 0.327055 0.362715 -0.717058 0.356266 0.349625 -0.812033 0.405089 0.411725 -1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 10 12 16 18 20 22 25 28 B F F F O O O O O O O O O 1.065917 -0.397645 -0.543264 -0.431921 -0.596073 -0.007880 -0.006810 -0.024617 -0.040273 -0.008387 -0.002660 -0.011167 0.004781 -1.00000 1.78208821e+00 -9.99875077e-03 -8.41431994e-01 1.02579240e+02 1.03312643e+00 9.42896855e+01 -1.24957960e+00 -3.72118321e-01 9.13947706e+01 -3.8726 -0.0006 -0.0005 0.0007 1.0704 5.5741 28.9022 42.9663 48.4011 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 28.8980 42.9659 48.3989 61.1066 66.4524 71.1033 82.1802 84.6001 94.4619 114.4345 135.3322 139.1474 142.7106 151.3309 163.3346 197.4067 198.4906 204.0359 218.0117 222.6664 232.1494 237.0402 239.7572 251.1891 270.7813 309.1198 350.0821 397.0471 432.6396 444.1328 470.1846 481.0427 484.7355 494.7871 506.5721 520.3936 531.2519 554.9224 557.5385 582.8476 630.7702 648.3789 654.6747 670.8283 694.8032 698.4621 743.1764 745.5073 799.1262 814.3650 834.6005 841.3062 883.9880 958.6282 1021.8857 1035.6380 1051.4620 1070.7444 1164.9101 1666.4755 1678.5213 1701.2213 1713.1576 1717.3588 1718.3661 1722.9500 1741.4496 3329.7812 3443.5357 3454.3954 3484.0366 3517.7975 3529.5135 3530.1607 3572.3197 3614.6617 3668.5083 3695.1628 3740.2632 3770.1305 3778.2344 3790.2303 3872.1480 3890.1351 5.4058 6.6664 7.0758 8.1253 9.2671 8.1326 8.1944 6.8389 8.4777 5.8643 7.3056 7.3317 6.8393 6.9969 7.3833 5.1751 5.1853 4.1879 3.3100 2.9215 4.4174 6.6050 6.4527 6.2618 6.0876 1.7686 9.9325 1.9544 1.0753 1.1167 1.3186 1.3269 1.2478 1.8254 2.7890 2.1168 1.4473 1.1671 1.0851 1.0429 1.0483 1.0819 1.0627 1.0745 1.0533 1.0627 2.0642 1.7370 1.0651 1.0553 1.0484 1.0862 1.6430 1.4513 6.8121 1.1057 3.2715 1.3058 1.7067 1.0695 1.0727 1.0717 1.0739 1.0688 1.0746 1.0737 1.0688 1.0635 1.0611 1.0713 1.0607 1.0611 1.0609 1.0650 1.0613 1.0567 1.0673 1.0687 1.0728 1.0665 1.0667 1.0667 1.0654 1.0667 0.0027 0.0073 0.0098 0.0179 0.0241 0.0242 0.0326 0.0288 0.0446 0.0452 0.0788 0.0836 0.0821 0.0944 0.1161 0.1188 0.1204 0.1027 0.0927 0.0853 0.1403 0.2187 0.2185 0.2328 0.2630 0.0996 0.7172 0.1815 0.1186 0.1298 0.1718 0.1809 0.1727 0.2633 0.4217 0.3378 0.2407 0.2118 0.1987 0.2087 0.2457 0.2680 0.2684 0.2849 0.2996 0.3055 0.6717 0.5688 0.4007 0.4123 0.4303 0.4530 0.7565 0.7858 4.1912 0.6987 2.1310 0.8821 1.3646 1.7500 1.7807 1.8274 1.8570 1.8573 1.8695 1.8780 1.9097 6.9477 7.4135 7.5320 7.5860 7.7365 7.7870 7.8194 7.9799 8.1349 8.4627 8.5975 8.8428 8.9312 8.9719 9.0288 9.4121 9.5106 1.1716 3.2375 0.3839 0.4405 0.5451 1.5187 0.8379 0.4086 1.2086 1.3787 4.3742 2.4386 3.9710 6.8940 3.8016 0.8926 0.4589 23.4410 48.8177 45.9485 38.6789 1.6864 31.5707 50.0653 41.4183 38.4074 2.0081 16.2316 77.3552 27.6093 15.4435 15.7723 27.1738 0.9407 7.2854 15.3376 65.3114 21.6108 48.6203 44.1608 63.1831 73.5898 77.3453 127.5004 133.7376 178.1957 130.4470 169.5513 184.9398 368.8907 320.2241 187.4232 58.1309 290.7488 388.5547 8.9512 342.9474 210.9922 236.7590 45.8513 68.7856 91.6527 100.4286 28.5230 36.5623 160.1789 115.6014 701.3964 119.5804 644.8455 107.6823 415.4482 1061.2854 1141.2189 212.5411 364.0850 255.3451 360.2870 322.6831 15.5197 480.9091 218.3688 47.9310 46.1163 -0.03 -0.01 -0.07 -0.03 -0.04 -0.03 -0.02 0.02 -0.08 -0.02 0.00 -0.07 -0.07 -0.03 -0.10 -0.17 -0.09 -0.15 0.33 0.14 0.55 0.02 -0.00 0.15 -0.06 0.01 0.00 0.08 0.06 0.06 0.06 0.04 0.02 -0.02 -0.02 0.06 0.06 0.01 0.09 0.07 0.05 0.01 -0.03 0.02 -0.01 -0.03 -0.03 0.18 -0.03 -0.03 0.16 0.30 0.14 0.20 0.17 0.05 0.07 -0.07 0.03 -0.03 -0.07 0.03 -0.02 -0.13 -0.07 0.04 -0.12 -0.07 0.00 -0.10 -0.06 0.10 0.03 -0.01 -0.06 -0.03 -0.03 -0.03 0.02 -0.03 -0.11 0.02 -0.04 -0.12 -0.04 -0.04 -0.10 0.03 -0.03 -0.15 -0.04 -0.04 0.11 -0.04 -0.05 0.14 -0.03 0.01 0.09 -0.04 -0.04 0.13 -0.04 -0.07 0.07 -0.14 -0.14 0.03 0.11 0.31 0.39 -0.07 0.03 -0.11 0.11 -0.12 -0.14 -0.11 0.03 -0.08 -0.07 0.02 -0.08 0.05 0.01 -0.28 -0.00 0.09 -0.21 -0.10 0.02 -0.01 0.01 0.05 -0.26 -0.04 0.03 -0.12 -0.06 0.01 -0.07 0.09 0.31 0.06 0.03 0.17 0.05 0.14 -0.16 -0.07 0.15 -0.16 -0.05 0.05 0.00 -0.06 0.03 -0.01 0.02 0.01 0.03 -0.09 0.02 0.01 -0.04 0.03 0.02 -0.05 0.02 -0.04 -0.00 -0.01 -0.06 0.05 0.03 -0.09 0.03 0.02 -0.06 0.02 0.02 -0.07 -0.03 0.03 -0.06 -0.09 -0.01 -0.13 -0.01 0.03 -0.05 -0.05 0.03 -0.02 0.02 0.10 0.04 0.04 -0.23 0.12 -0.03 0.15 0.10 0.12 -0.04 -0.08 0.05 0.19 0.24 -0.02 0.12 0.22 -0.11 -0.03 0.06 -0.04 -0.08 0.08 -0.01 0.19 0.25 -0.05 0.00 0.03 -0.05 0.10 0.05 0.16 0.08 0.03 0.16 -0.20 0.09 0.04 -0.17 0.06 0.12 -0.05 -0.15 0.10 -0.02 -0.19 0.06 0.02 -0.07 -0.05 0.02 -0.06 -0.04 0.04 -0.04 0.03 -0.02 0.16 -0.22 0.01 0.07 -0.18 -0.01 0.10 -0.15 -0.12 -0.05 0.18 -0.11 -0.07 0.17 -0.08 -0.06 0.15 0.01 0.16 -0.02 -0.00 0.18 -0.03 0.02 0.15 -0.01 -0.00 0.15 -0.03 0.02 0.17 -0.01 0.12 0.21 0.04 -0.02 -0.12 -0.06 -0.11 -0.06 0.06 0.18 -0.16 0.01 -0.10 0.03 -0.02 -0.12 0.00 -0.08 0.16 -0.16 -0.03 0.12 -0.11 0.01 -0.08 0.06 0.01 0.10 -0.10 -0.02 -0.12 -0.12 0.10 -0.07 -0.07 0.10 -0.01 -0.11 0.08 0.04 -0.06 0.13 0.19 -0.17 0.04 0.17 -0.14 -0.00 -0.14 -0.20 -0.06 -0.11 -0.15 -0.06 -0.11 -0.19 -0.00 -0.10 -0.09 -0.17 -0.05 -0.15 -0.15 -0.10 -0.05 -0.10 0.07 0.04 0.16 0.09 -0.01 0.14 0.04 0.07 0.13 0.01 -0.02 0.03 -0.11 0.09 0.20 0.31 -0.09 0.08 -0.07 -0.10 -0.26 -0.08 0.03 0.07 -0.08 0.08 0.05 0.02 0.01 0.19 -0.03 0.02 -0.09 0.06 0.12 0.06 0.19 -0.14 -0.16 0.16 -0.12 -0.13 -0.16 -0.01 0.05 -0.13 -0.03 0.03 0.19 -0.14 -0.17 -0.15 -0.02 0.03 -0.13 0.06 -0.08 -0.17 0.02 -0.12 -0.02 0.03 0.09 -0.03 0.03 0.07 0.15 0.18 0.12 0.14 0.19 0.25 -0.05 -0.01 -0.10 -0.07 -0.02 -0.01 -0.09 0.03 -0.10 -0.02 -0.03 -0.09 -0.02 -0.00 -0.10 -0.01 -0.00 -0.10 -0.03 0.01 0.07 0.00 0.06 0.07 -0.02 -0.02 0.10 0.01 0.00 0.00 -0.09 0.20 -0.17 -0.04 -0.06 0.02 -0.11 -0.18 0.07 0.28 0.04 0.08 0.28 0.01 0.09 0.14 0.02 0.06 -0.07 0.04 0.10 -0.10 0.04 -0.05 -0.00 -0.03 0.12 0.01 -0.07 0.06 -0.19 0.03 -0.09 -0.19 0.01 -0.11 -0.03 -0.07 0.09 -0.18 0.00 -0.07 -0.07 0.05 0.09 -0.08 0.03 0.10 0.04 0.11 -0.07 0.08 0.16 -0.04 -0.06 0.07 -0.02 -0.09 0.11 -0.01 0.17 -0.21 -0.01 0.18 -0.19 0.03 0.15 -0.16 0.02 -0.00 -0.16 -0.02 0.07 -0.19 -0.03 0.00 -0.05 -0.00 0.08 0.16 -0.00 0.07 0.17 0.01 0.14 0.12 -0.00 0.00 0.03 -0.07 -0.03 0.02 0.09 0.05 0.24 -0.15 -0.02 -0.02 0.03 0.01 -0.12 -0.24 0.10 -0.19 -0.16 -0.13 0.08 0.03 0.06 0.13 0.07 0.04 0.00 0.10 -0.00 -0.03 0.23 -0.02 -0.06 0.15 -0.05 0.06 0.02 -0.05 0.06 0.02 -0.01 -0.04 0.16 -0.04 0.05 0.02 0.10 0.20 0.01 0.06 0.15 0.04 -0.09 0.05 -0.00 -0.11 -0.03 0.03 0.06 -0.02 0.15 0.07 -0.02 0.17 0.06 0.00 -0.20 0.06 -0.01 -0.27 0.10 0.03 -0.10 -0.02 -0.23 0.04 0.01 -0.16 -0.02 -0.02 -0.24 0.07 -0.08 -0.20 0.05 -0.08 -0.19 0.05 -0.04 -0.19 -0.01 -0.03 0.02 -0.00 -0.00 -0.02 -0.01 -0.05 -0.00 0.00 0.00 0.07 -0.02 -0.07 0.03 0.01 -0.13 0.03 -0.03 -0.01 0.10 -0.36 -0.09 -0.04 -0.02 -0.06 -0.01 0.18 -0.04 -0.01 -0.09 0.05 -0.02 -0.07 -0.08 0.23 0.03 0.01 0.18 -0.01 -0.06 -0.05 -0.04 -0.05 0.21 -0.02 -0.12 -0.08 0.02 -0.11 -0.06 0.01 0.05 0.06 -0.23 0.11 0.02 -0.10 -0.05 -0.07 0.25 -0.06 -0.06 0.18 -0.08 -0.04 0.03 -0.10 -0.06 0.05 -0.11 -0.02 0.02 0.26 -0.06 -0.03 0.18 -0.04 -0.02 0.25 -0.14 -0.05 0.22 -0.14 0.05 0.14 -0.11 0.09 0.17 -0.11 0.06 0.05 -0.00 -0.07 -0.02 0.06 0.01 0.06 0.20 -0.15 -0.03 -0.12 0.06 0.15 -0.12 -0.19 0.13 -0.20 -0.17 -0.02 -0.01 0.17 -0.11 -0.14 -0.04 0.04 0.02 0.02 -0.05 0.03 -0.19 -0.09 0.10 -0.08 -0.11 -0.03 -0.02 -0.14 -0.04 -0.02 -0.02 0.09 -0.23 -0.12 -0.04 0.02 -0.11 -0.22 0.01 -0.05 -0.17 0.02 -0.06 0.02 0.03 -0.07 -0.01 0.03 0.11 0.05 0.07 0.09 0.07 0.15 0.09 -0.02 0.30 0.09 -0.04 0.16 0.08 -0.09 0.20 0.02 0.24 0.07 0.03 0.14 0.13 0.02 0.13 0.11 -0.08 -0.07 0.04 -0.05 -0.08 0.02 -0.01 -0.08 -0.01 -0.04 0.04 0.02 -0.01 -0.00 -0.00 -0.04 0.01 0.02 -0.05 0.02 -0.02 -0.05 0.05 0.03 -0.12 0.04 -0.00 0.17 -0.09 0.16 0.18 -0.18 -0.04 -0.02 -0.03 -0.02 -0.04 0.07 0.08 -0.07 0.05 0.03 -0.27 -0.08 -0.06 -0.19 -0.11 -0.08 -0.02 0.10 0.12 -0.31 -0.04 -0.05 0.35 -0.22 -0.07 0.48 -0.09 -0.04 0.05 -0.01 -0.04 0.08 0.01 -0.02 0.10 0.04 0.07 0.06 0.10 0.20 -0.06 0.05 -0.04 -0.02 0.13 -0.06 0.02 -0.04 -0.03 -0.03 0.02 -0.02 -0.05 0.02 -0.02 -0.03 0.02 -0.03 0.07 0.02 0.03 0.07 0.04 0.04 0.05 0.03 0.05 -0.02 -0.05 -0.02 0.08 -0.12 -0.21 -0.16 -0.11 -0.02 0.06 0.04 0.06 -0.02 0.00 0.03 -0.06 0.02 -0.00 -0.05 -0.02 0.17 -0.07 0.09 0.02 0.22 0.12 -0.11 -0.07 0.05 0.00 -0.01 0.03 -0.01 -0.06 -0.01 0.03 -0.06 -0.03 0.00 -0.11 -0.01 0.00 -0.09 0.01 0.08 -0.12 0.09 0.04 -0.16 0.05 0.02 -0.06 -0.01 0.08 -0.09 -0.03 0.04 0.38 0.26 -0.01 0.37 0.27 0.36 -0.05 0.00 -0.03 -0.07 -0.02 -0.01 -0.08 0.04 -0.02 0.12 -0.06 0.02 0.06 0.00 0.00 0.11 -0.13 0.00 -0.07 -0.06 0.03 0.04 0.00 0.01 -0.03 -0.11 0.07 -0.03 0.06 0.03 0.01 0.04 -0.05 -0.14 0.12 0.00 -0.03 0.04 0.25 0.05 0.02 0.00 0.05 -0.02 0.01 -0.02 -0.02 0.10 0.17 -0.07 -0.01 -0.05 -0.05 -0.04 0.37 -0.25 -0.12 0.29 -0.19 -0.04 -0.05 -0.05 -0.04 -0.08 -0.04 -0.03 0.37 -0.24 -0.30 -0.08 -0.04 0.01 0.03 -0.02 -0.00 -0.02 -0.05 -0.11 -0.06 0.01 0.04 -0.05 0.03 0.05 -0.04 -0.03 -0.04 -0.05 -0.01 0.00 -0.19 0.05 -0.08 -0.16 0.08 -0.14 -0.12 0.02 0.00 0.11 0.01 -0.00 0.01 0.07 0.00 0.11 -0.03 -0.08 -0.04 0.02 0.02 -0.04 0.01 0.01 -0.01 0.01 -0.01 -0.00 0.03 0.01 -0.04 0.07 0.05 0.06 0.01 0.02 -0.03 0.00 -0.07 -0.00 0.04 0.01 0.06 0.06 0.05 -0.22 0.06 -0.00 -0.01 -0.06 -0.04 -0.06 0.04 -0.08 -0.09 0.10 -0.01 0.07 0.05 -0.03 0.04 -0.03 -0.00 -0.02 0.01 0.04 -0.13 0.03 0.15 0.05 -0.05 -0.01 0.07 -0.15 -0.01 0.17 -0.05 0.03 -0.18 0.03 0.16 -0.18 0.05 0.14 -0.12 0.06 -0.18 -0.10 0.03 -0.19 -0.00 -0.04 -0.05 -0.01 -0.05 -0.06 0.00 -0.04 -0.04 0.41 -0.12 0.05 0.29 -0.01 0.05 0.41 -0.25 0.00 -0.12 0.00 0.01 -0.08 -0.02 -0.00 -0.06 -0.02 -0.02 -0.10 -0.03 -0.01 -0.22 0.12 -0.08 -0.07 -0.06 0.01 -0.20 -0.15 0.01 0.02 -0.02 0.01 0.06 -0.04 0.05 -0.16 0.16 -0.30 0.06 -0.12 -0.03 0.18 0.11 0.08 0.04 -0.02 0.04 0.00 -0.01 0.04 0.32 0.18 0.09 0.27 0.19 0.09 0.05 -0.00 0.00 0.38 0.12 0.06 0.14 -0.11 -0.06 0.22 -0.03 -0.07 0.02 0.01 0.01 -0.02 -0.03 -0.01 0.13 0.07 0.05 0.17 0.01 0.07 -0.06 0.03 0.01 -0.03 0.07 -0.05 -0.00 -0.03 0.02 -0.03 0.05 -0.02 -0.07 0.03 0.00 -0.04 0.01 -0.05 0.00 -0.08 -0.04 0.01 -0.02 -0.03 -0.00 -0.11 -0.00 -0.15 0.04 -0.02 -0.08 -0.07 0.04 -0.15 0.05 -0.03 -0.07 0.17 -0.07 -0.23 0.03 -0.03 -0.21 0.05 -0.03 -0.10 0.03 -0.16 0.02 -0.08 0.01 0.01 0.00 -0.07 0.16 -0.09 0.03 0.09 -0.08 0.03 -0.00 0.03 0.00 0.05 0.06 0.03 0.15 -0.09 -0.11 -0.02 0.07 -0.04 -0.01 -0.09 0.02 -0.04 -0.12 0.03 -0.02 -0.02 0.06 -0.01 0.00 0.06 0.05 0.04 -0.05 0.05 0.04 0.06 0.43 -0.13 0.04 0.36 -0.21 0.23 0.28 -0.04 -0.08 -0.00 0.02 -0.03 0.14 -0.09 -0.03 0.00 0.14 0.06 0.04 0.04 0.04 0.04 -0.01 0.03 -0.06 0.10 0.05 0.00 0.01 0.01 -0.01 0.02 0.00 0.00 0.00 0.01 -0.00 0.01 0.00 0.00 0.01 0.01 0.01 0.01 0.01 0.18 -0.38 0.43 0.12 0.08 0.00 -0.02 0.02 -0.16 -0.01 0.02 -0.12 0.02 0.01 -0.13 -0.07 0.29 -0.13 -0.16 0.28 -0.15 0.00 0.03 -0.03 0.04 0.16 -0.11 0.10 0.10 -0.01 0.05 0.06 -0.00 -0.01 -0.23 0.17 -0.02 -0.14 0.11 0.00 -0.04 -0.07 0.02 -0.07 -0.05 -0.02 -0.00 0.17 -0.01 -0.00 0.07 0.01 -0.04 0.18 -0.04 -0.14 -0.04 -0.02 -0.17 -0.04 -0.04 -0.06 -0.04 0.04 -0.04 0.00 -0.00 -0.06 0.02 -0.00 -0.02 -0.00 0.03 -0.00 0.01 0.02 0.02 -0.00 0.03 -0.01 0.01 0.02 -0.01 0.00 0.03 0.01 0.01 0.03 0.00 0.01 0.21 -0.29 0.45 -0.19 -0.13 -0.01 -0.01 0.01 -0.08 -0.00 -0.05 0.21 -0.05 -0.03 0.23 -0.04 0.18 -0.08 -0.12 0.15 -0.11 -0.01 -0.05 0.08 0.04 0.08 -0.05 -0.15 -0.14 -0.00 -0.08 -0.06 -0.02 0.02 -0.15 0.06 0.00 -0.12 0.01 -0.00 -0.04 -0.01 0.01 -0.06 -0.01 0.01 0.01 -0.23 0.00 0.01 -0.09 -0.03 0.06 -0.24 0.04 0.23 0.03 0.01 0.27 0.04 0.04 0.11 0.02 -0.01 -0.04 -0.02 -0.03 -0.04 -0.01 -0.03 -0.03 -0.02 -0.01 -0.07 -0.04 -0.01 -0.12 0.05 -0.00 0.03 -0.08 -0.02 -0.10 0.01 -0.01 -0.10 -0.07 0.00 -0.11 -0.06 -0.15 0.06 -0.65 -0.03 -0.01 0.01 0.01 0.02 -0.10 -0.03 -0.01 0.04 -0.04 -0.01 0.03 -0.02 0.06 0.01 0.07 0.07 0.03 -0.03 -0.01 -0.01 -0.01 0.07 -0.05 -0.02 0.01 -0.00 -0.02 0.00 -0.00 -0.01 -0.02 0.09 0.11 0.13 0.16 0.01 0.03 -0.11 -0.00 0.04 -0.13 -0.09 0.03 -0.04 -0.09 0.01 -0.09 -0.07 0.03 -0.00 0.01 0.02 -0.02 0.05 0.00 -0.03 0.01 0.09 0.03 0.18 0.20 0.19 0.17 0.10 0.17 0.14 0.26 0.15 -0.03 -0.02 -0.02 -0.03 -0.04 0.01 -0.02 0.01 -0.03 -0.03 -0.03 -0.01 -0.03 -0.02 -0.02 -0.08 -0.04 -0.05 0.35 -0.27 0.64 0.08 0.06 0.06 0.02 0.05 0.06 0.00 0.06 -0.16 0.03 0.08 -0.13 0.09 0.02 -0.01 -0.08 -0.03 -0.07 0.00 0.06 -0.10 0.12 -0.07 0.11 0.02 -0.04 0.13 0.03 -0.03 0.13 0.03 -0.03 -0.11 0.04 -0.02 -0.11 -0.01 0.02 0.05 -0.01 0.02 -0.02 0.02 0.01 -0.13 0.02 0.01 -0.08 0.02 0.03 -0.11 -0.01 -0.06 0.16 0.02 0.05 0.09 -0.01 -0.01 0.16 -0.04 0.12 0.09 -0.00 0.09 0.07 -0.01 0.11 0.08 -0.00 -0.02 -0.02 0.00 -0.04 0.00 -0.01 0.01 -0.03 -0.00 -0.01 -0.01 -0.03 -0.02 -0.02 -0.06 -0.02 -0.04 0.27 -0.24 0.72 -0.08 -0.04 -0.07 -0.01 0.08 0.12 0.02 -0.02 0.13 0.02 -0.04 0.08 0.10 -0.05 -0.06 -0.11 -0.07 -0.09 -0.01 -0.05 0.07 0.11 -0.11 0.09 -0.02 0.03 -0.13 -0.03 0.02 -0.12 -0.06 0.00 -0.06 -0.04 -0.00 -0.03 -0.05 0.06 0.09 -0.05 0.06 0.01 -0.03 -0.02 0.12 -0.04 -0.04 0.08 -0.04 -0.03 0.10 0.07 -0.00 -0.13 0.06 -0.09 -0.08 0.07 0.03 -0.13 0.00 0.09 0.05 -0.01 0.11 0.06 -0.00 0.09 0.07 -0.01 0.01 -0.00 -0.02 0.02 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.04 -0.01 -0.02 0.19 -0.08 0.61 -0.00 0.00 -0.04 0.10 -0.18 -0.24 0.01 0.00 0.03 0.00 0.00 0.03 -0.08 0.08 0.29 -0.13 -0.02 0.18 0.02 0.01 0.03 0.02 -0.05 0.30 0.01 0.03 -0.06 0.00 0.01 -0.05 -0.05 0.08 -0.13 -0.07 0.01 -0.12 0.12 -0.16 -0.22 0.10 -0.13 -0.17 -0.03 -0.06 0.03 -0.02 -0.05 0.03 -0.02 -0.07 0.04 0.01 0.02 -0.01 0.02 -0.01 0.01 0.01 0.02 0.02 0.01 0.01 0.04 0.08 -0.09 -0.02 -0.02 0.04 0.01 0.01 -0.00 0.01 0.00 0.02 -0.01 0.02 -0.01 0.01 0.01 -0.02 0.04 0.02 -0.01 -0.01 0.11 0.01 0.05 0.03 -0.03 0.32 -0.10 -0.16 0.10 -0.01 -0.01 -0.05 0.03 0.02 0.03 -0.00 -0.04 -0.13 0.00 -0.01 0.04 -0.07 -0.03 0.02 0.02 0.01 0.04 0.03 -0.06 0.09 -0.13 -0.20 0.14 -0.03 -0.09 0.06 -0.08 0.04 -0.01 -0.07 -0.01 0.04 -0.02 0.02 -0.08 -0.02 0.02 -0.06 0.11 0.41 0.01 0.06 0.29 -0.06 0.05 0.40 -0.11 -0.08 -0.19 -0.20 0.00 -0.15 -0.25 -0.08 -0.08 -0.12 0.09 -0.07 0.02 0.08 -0.07 0.03 0.05 -0.06 0.04 0.01 0.00 0.01 0.01 -0.00 -0.01 0.01 0.00 -0.00 0.01 0.00 0.04 -0.00 -0.01 -0.00 -0.05 -0.02 -0.03 -0.05 0.05 -0.28 -0.19 -0.08 -0.28 -0.01 -0.02 -0.02 0.25 0.34 0.08 0.25 0.28 -0.04 -0.02 0.02 -0.01 0.05 0.03 0.00 0.19 0.25 -0.01 -0.03 0.05 -0.05 -0.16 -0.12 -0.26 -0.11 -0.08 -0.21 0.05 -0.03 0.01 0.06 0.00 -0.00 0.01 -0.02 0.01 0.01 -0.02 0.03 -0.03 -0.03 0.02 -0.04 -0.04 0.07 -0.09 -0.06 -0.12 -0.08 -0.18 0.16 -0.10 -0.14 0.14 -0.08 -0.09 0.09 -0.03 0.02 0.00 -0.03 0.01 -0.00 0.00 0.01 -0.02 -0.00 -0.02 0.01 0.00 -0.04 0.02 -0.00 0.01 -0.02 -0.01 -0.03 -0.00 -0.00 -0.02 -0.01 -0.11 -0.07 -0.06 -0.01 -0.04 -0.32 -0.01 -0.03 0.03 0.11 -0.15 0.05 -0.02 -0.02 0.01 0.04 -0.06 -0.02 -0.05 0.07 0.05 -0.04 0.10 0.08 -0.04 -0.06 0.08 -0.03 0.06 0.01 -0.02 -0.03 0.03 -0.00 -0.01 0.01 0.01 -0.03 0.06 0.01 0.16 -0.10 0.16 -0.24 0.18 0.11 -0.17 0.02 0.03 0.09 0.02 -0.00 0.04 0.02 -0.01 0.12 -0.00 0.10 -0.07 -0.07 0.06 -0.05 -0.07 0.10 0.02 -0.15 -0.19 0.31 -0.23 -0.17 0.37 -0.23 -0.08 0.23 -0.19 -0.00 -0.01 -0.00 0.01 -0.03 0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.00 0.01 0.01 0.01 -0.07 -0.09 0.45 0.01 0.04 -0.02 0.02 -0.07 0.13 0.01 0.05 -0.04 0.03 0.07 0.01 0.03 -0.04 0.01 -0.21 0.03 0.06 0.00 0.03 -0.05 0.06 -0.10 0.08 -0.00 0.00 0.00 -0.01 -0.01 0.03 -0.29 0.09 0.14 -0.27 0.14 0.18 0.02 -0.03 0.09 -0.03 0.03 0.01 -0.02 -0.05 -0.06 -0.01 -0.04 -0.05 -0.01 -0.06 -0.06 -0.06 0.02 0.12 -0.05 0.02 0.11 -0.06 0.18 0.03 0.34 0.01 -0.26 0.21 0.04 -0.20 0.16 0.06 -0.18 -0.02 0.00 -0.01 -0.04 0.01 0.08 -0.09 -0.07 0.02 0.03 0.07 -0.05 0.06 -0.06 -0.08 0.81 0.11 0.37 0.05 -0.02 0.04 -0.03 -0.00 -0.00 -0.00 -0.02 0.00 0.01 0.01 -0.00 0.02 0.01 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.02 -0.04 -0.01 -0.00 0.00 -0.01 -0.01 -0.01 -0.02 -0.02 0.04 0.02 0.01 -0.01 0.02 0.02 -0.01 0.02 0.00 0.01 0.01 0.02 0.04 -0.02 0.01 0.01 0.00 -0.01 -0.31 0.07 -0.06 0.07 0.00 0.00 0.01 0.05 -0.05 0.02 0.00 0.06 0.03 0.00 0.01 -0.01 0.00 0.02 -0.01 -0.08 0.03 0.04 -0.02 0.00 -0.03 -0.14 0.20 -0.16 0.26 -0.25 0.09 0.10 0.16 0.29 -0.26 -0.18 -0.28 -0.08 -0.25 -0.15 0.07 -0.08 -0.07 0.03 -0.02 0.01 0.11 0.12 0.07 -0.04 0.01 -0.01 0.02 -0.02 -0.03 -0.02 -0.02 -0.02 -0.07 -0.05 -0.05 -0.02 0.02 0.18 -0.14 0.05 0.15 0.02 -0.00 0.01 0.09 0.09 -0.09 -0.02 0.00 0.02 0.06 0.10 0.05 -0.01 0.00 0.03 0.10 -0.15 -0.06 0.02 -0.02 0.00 -0.06 -0.18 -0.13 -0.04 0.05 0.01 0.01 0.02 0.01 0.12 -0.05 -0.00 0.01 0.15 0.08 0.04 0.08 0.02 -0.03 -0.08 -0.00 -0.04 0.20 -0.11 -0.03 -0.01 -0.01 0.04 -0.07 -0.08 0.10 0.07 -0.01 -0.07 -0.05 0.05 -0.11 0.05 0.04 0.59 0.40 0.39 -0.06 0.09 0.05 0.09 -0.04 0.00 0.09 0.08 0.05 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.02 -0.03 0.03 0.05 0.11 -0.03 0.01 0.05 -0.00 0.01 -0.00 -0.08 -0.06 -0.07 0.03 0.00 -0.00 -0.05 -0.09 -0.04 -0.00 -0.01 0.00 0.01 -0.03 -0.24 0.01 -0.01 0.01 -0.01 -0.08 -0.19 0.02 -0.01 0.04 0.01 0.00 0.01 0.09 -0.06 0.01 0.01 0.12 0.05 -0.00 -0.01 -0.02 0.04 0.06 -0.01 -0.19 0.00 0.16 -0.02 0.01 -0.00 0.00 -0.02 -0.00 0.00 0.00 0.01 -0.02 0.02 -0.01 0.02 0.01 0.00 0.02 -0.02 0.01 0.34 -0.33 -0.27 0.09 -0.03 -0.01 0.20 0.20 0.09 0.00 -0.00 -0.00 -0.02 0.00 -0.01 0.00 0.00 -0.00 -0.27 -0.05 -0.06 0.05 0.06 0.10 -0.03 -0.07 0.26 -0.00 0.00 -0.00 -0.09 -0.08 -0.04 -0.01 0.02 0.01 0.21 0.40 0.07 -0.00 0.01 0.00 0.10 -0.13 -0.30 0.00 -0.00 0.00 0.04 0.07 0.02 0.04 -0.04 0.01 -0.00 0.01 -0.00 -0.08 0.04 0.01 -0.01 -0.16 -0.03 -0.01 -0.03 0.00 -0.04 -0.02 0.01 0.15 -0.08 -0.09 0.02 0.01 0.01 0.03 0.01 -0.01 0.01 0.01 0.01 -0.01 -0.03 0.01 -0.05 0.01 -0.00 0.11 0.09 0.08 0.25 -0.23 -0.17 -0.12 0.02 0.02 -0.28 -0.28 -0.13 -0.00 -0.00 0.01 -0.13 0.05 0.05 0.02 0.01 0.00 -0.12 0.06 0.05 0.00 0.03 -0.29 0.18 -0.16 -0.08 0.00 0.00 -0.00 0.09 0.08 0.06 -0.01 0.01 0.00 0.14 0.28 0.03 0.00 -0.01 -0.02 -0.12 0.16 0.50 0.00 -0.00 0.00 -0.01 -0.04 -0.05 -0.00 0.01 0.01 0.00 0.00 -0.00 0.04 -0.03 -0.00 0.00 -0.07 0.07 -0.01 -0.00 -0.00 -0.03 -0.10 -0.03 0.02 0.02 -0.09 -0.03 0.03 0.04 0.02 -0.02 -0.03 0.01 0.02 0.07 -0.05 0.02 -0.04 0.04 -0.04 -0.03 -0.04 -0.22 -0.03 -0.03 0.02 0.05 0.41 -0.27 0.06 -0.08 -0.08 -0.03 -0.01 -0.00 0.00 -0.22 0.04 -0.04 0.01 -0.00 0.00 0.07 0.04 0.04 0.20 0.29 0.19 0.00 0.04 -0.09 -0.01 0.01 0.01 -0.31 -0.24 -0.38 -0.01 -0.00 -0.00 -0.02 -0.04 -0.01 -0.01 0.00 -0.00 -0.01 0.01 0.22 -0.00 0.00 -0.01 -0.03 -0.05 -0.09 0.01 0.07 0.12 0.00 -0.00 -0.00 0.13 0.00 -0.05 0.01 -0.03 0.16 0.00 0.02 0.00 -0.01 -0.10 -0.03 0.00 0.07 -0.11 -0.04 0.04 0.01 0.02 -0.05 -0.03 0.04 0.00 0.05 -0.07 0.03 0.00 0.03 0.00 -0.04 -0.01 -0.13 -0.02 0.01 -0.01 0.02 -0.05 0.16 -0.09 -0.13 -0.13 -0.07 -0.00 0.01 -0.01 0.38 -0.12 -0.06 0.01 0.00 0.00 0.05 0.04 0.05 -0.17 -0.27 0.33 0.04 0.01 -0.10 -0.01 -0.00 -0.01 -0.08 -0.12 0.26 -0.00 -0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 -0.01 -0.07 0.10 0.17 -0.01 0.00 0.01 0.16 0.26 -0.11 0.21 -0.26 -0.03 -0.00 0.01 0.01 -0.24 0.05 0.07 -0.01 -0.00 -0.27 0.00 0.00 0.01 -0.02 0.04 0.03 0.07 -0.03 0.00 0.03 0.01 0.02 0.03 0.04 -0.00 -0.05 0.03 0.02 0.02 -0.04 -0.03 -0.03 -0.03 -0.01 0.07 0.03 0.04 0.07 -0.06 -0.07 0.13 -0.01 -0.03 -0.03 -0.02 -0.03 0.00 0.01 -0.02 0.37 -0.17 -0.17 0.00 0.00 0.00 -0.08 -0.02 -0.02 -0.12 -0.22 0.53 0.09 -0.10 0.01 -0.01 -0.01 0.01 0.12 0.16 -0.24 0.00 0.01 0.00 0.04 0.07 0.02 0.00 0.00 0.00 -0.01 0.02 0.04 0.01 -0.01 -0.00 -0.15 -0.24 0.17 -0.24 0.21 -0.09 -0.01 0.01 0.01 0.06 0.03 -0.03 -0.01 0.21 -0.03 -0.00 -0.01 0.01 -0.02 -0.05 -0.00 -0.06 0.03 -0.01 0.02 0.06 0.04 0.11 0.01 -0.02 -0.03 0.01 0.11 -0.08 -0.03 -0.05 -0.01 -0.03 -0.07 -0.06 -0.19 -0.05 -0.07 0.07 0.02 -0.34 0.14 0.01 0.21 0.25 0.06 0.01 -0.01 0.00 -0.04 0.04 0.08 -0.00 0.00 -0.00 -0.00 -0.09 -0.10 -0.04 -0.05 -0.29 -0.07 0.03 0.15 -0.00 -0.01 -0.01 0.24 0.21 0.23 0.00 -0.00 -0.00 -0.00 -0.09 0.06 -0.01 0.00 0.00 0.21 -0.28 -0.08 -0.00 0.00 0.01 -0.03 -0.08 -0.17 -0.00 0.01 0.02 -0.00 -0.01 -0.01 0.17 -0.12 -0.00 0.01 0.14 0.13 0.01 0.01 0.00 -0.13 -0.17 -0.00 -0.08 0.13 -0.16 0.02 0.07 -0.08 0.06 -0.02 0.13 -0.01 -0.13 -0.09 -0.06 -0.05 0.09 0.01 0.18 -0.08 -0.04 0.27 -0.15 -0.05 0.05 0.01 0.18 -0.07 -0.01 0.01 0.16 -0.12 -0.01 0.01 -0.00 0.03 -0.02 -0.04 0.01 0.00 0.00 0.04 -0.12 -0.12 0.01 0.02 0.18 -0.02 -0.01 0.12 -0.00 0.01 0.00 -0.16 -0.14 -0.10 0.00 0.00 -0.01 0.04 -0.09 0.14 -0.02 0.01 -0.01 0.24 -0.32 0.43 0.01 -0.00 -0.00 0.01 0.00 0.02 0.01 0.00 0.01 0.00 -0.00 0.00 0.04 -0.00 -0.01 0.00 0.09 0.00 0.01 -0.00 -0.01 -0.26 -0.22 0.02 -0.09 0.15 -0.21 -0.07 -0.01 -0.00 -0.08 -0.11 -0.02 0.09 0.01 -0.03 -0.04 0.10 0.01 0.12 0.01 0.06 0.06 -0.06 0.04 0.08 -0.08 0.00 -0.21 0.04 0.03 0.01 0.03 -0.01 0.00 0.00 -0.00 0.09 -0.06 -0.08 0.01 -0.01 -0.00 0.08 0.05 0.05 -0.07 -0.11 0.03 -0.17 0.19 0.01 -0.00 -0.01 0.00 0.33 0.33 -0.05 -0.01 0.00 -0.01 0.06 0.05 0.06 -0.01 0.00 -0.01 0.12 -0.16 0.27 -0.00 -0.00 0.00 -0.17 -0.26 0.12 -0.24 0.25 -0.03 -0.01 -0.00 -0.00 0.20 -0.02 -0.07 0.00 0.17 0.16 -0.00 -0.00 -0.00 -0.13 -0.19 -0.02 -0.03 0.09 -0.16 -0.00 -0.04 0.04 -0.05 0.02 -0.04 0.00 0.06 -0.01 0.07 -0.01 -0.03 -0.03 -0.05 0.07 0.05 -0.01 0.11 -0.06 0.06 -0.01 0.08 0.03 -0.04 -0.01 0.24 -0.23 -0.01 -0.00 -0.00 0.03 0.02 0.07 0.00 0.01 0.00 -0.01 -0.22 -0.22 0.00 0.01 0.01 0.03 -0.11 0.20 0.00 0.00 -0.00 -0.12 -0.13 0.07 0.00 0.01 -0.00 0.06 -0.10 0.17 -0.02 -0.00 -0.01 0.27 -0.37 0.42 -0.00 0.01 -0.00 0.07 0.11 -0.05 0.09 -0.13 -0.03 0.01 -0.00 0.00 -0.13 -0.02 0.06 0.00 0.04 -0.18 0.02 0.02 -0.01 -0.30 -0.06 0.09 -0.05 0.09 -0.08 0.02 -0.02 0.00 -0.01 0.03 0.00 -0.02 0.01 -0.02 0.05 -0.04 -0.00 -0.03 0.01 0.04 -0.11 0.01 -0.02 0.16 -0.16 0.00 -0.03 -0.01 0.01 0.10 -0.04 0.17 0.00 0.01 0.00 0.10 -0.07 -0.09 0.01 -0.02 -0.00 0.16 0.21 0.23 -0.05 -0.09 0.11 -0.26 0.35 -0.16 0.00 -0.00 -0.01 -0.12 -0.15 0.14 -0.02 0.00 -0.01 0.05 0.14 -0.00 -0.00 0.01 -0.01 0.05 -0.06 0.01 -0.01 0.00 -0.00 0.07 0.09 -0.30 0.20 -0.11 0.17 -0.01 0.00 -0.01 0.24 -0.09 -0.05 0.01 0.21 0.21 -0.01 -0.01 0.00 -0.00 -0.19 -0.06 -0.09 0.09 -0.11 0.01 -0.00 0.00 0.02 0.01 -0.00 -0.01 0.00 0.01 -0.01 -0.02 -0.00 -0.02 -0.02 -0.02 0.18 0.07 0.08 0.10 -0.10 0.09 0.09 0.06 -0.05 0.08 0.03 0.07 -0.00 -0.01 -0.00 -0.05 0.07 0.12 0.00 -0.02 0.00 0.30 0.16 0.19 0.04 0.06 -0.07 -0.27 0.38 -0.19 0.00 0.00 0.01 0.03 0.04 -0.06 -0.02 -0.00 -0.01 0.04 0.05 0.05 -0.01 0.00 -0.01 0.10 -0.13 0.08 0.01 -0.00 0.00 -0.04 -0.04 0.28 -0.16 0.03 -0.23 0.01 0.00 0.00 -0.31 0.07 0.08 -0.01 -0.26 -0.26 0.01 0.01 0.00 -0.08 0.02 0.04 0.07 -0.01 -0.03 0.01 -0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 -0.02 0.00 -0.00 0.02 0.01 0.03 -0.02 0.01 0.04 -0.21 -0.24 0.21 0.01 0.05 -0.03 0.01 0.01 -0.00 -0.04 -0.11 -0.25 -0.00 -0.00 0.00 0.08 -0.03 -0.02 0.01 -0.00 0.09 -0.03 0.04 -0.02 -0.02 0.00 0.00 0.26 0.32 -0.29 -0.00 -0.00 -0.00 0.00 -0.03 0.03 -0.00 -0.00 -0.00 0.05 -0.07 0.06 0.00 -0.02 -0.01 0.14 0.19 -0.11 0.23 0.00 0.39 -0.00 0.00 0.01 -0.11 0.30 -0.11 -0.01 -0.28 0.00 0.01 0.01 -0.01 -0.03 0.07 0.03 0.07 -0.04 0.02 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.01 0.01 0.01 -0.11 -0.04 -0.05 0.09 -0.08 -0.03 0.09 -0.06 0.01 -0.05 0.03 -0.10 -0.01 -0.00 -0.02 0.04 0.15 0.33 -0.00 -0.00 0.01 0.09 0.00 0.02 0.04 0.07 -0.04 -0.01 0.04 -0.07 -0.02 -0.01 0.02 0.17 0.23 -0.34 -0.01 0.01 -0.00 0.06 0.05 0.08 0.00 -0.00 0.00 -0.03 0.04 -0.07 0.00 -0.00 -0.01 0.05 0.04 -0.24 0.10 -0.04 0.10 0.01 -0.01 0.01 -0.04 -0.34 0.20 0.00 0.42 -0.30 -0.01 -0.02 -0.00 -0.09 0.16 0.09 0.01 -0.08 0.11 -0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.01 0.02 -0.01 0.00 -0.00 0.01 0.01 -0.01 -0.01 0.01 -0.08 0.08 0.01 -0.03 0.20 -0.12 0.07 -0.08 0.17 0.01 -0.03 -0.03 -0.08 0.09 0.16 0.00 -0.00 -0.01 -0.20 0.11 0.09 0.25 0.30 0.44 0.06 -0.08 0.01 -0.03 -0.01 0.00 0.24 0.25 0.05 0.01 -0.01 0.00 -0.10 -0.01 -0.18 -0.01 0.01 -0.01 0.05 -0.07 0.11 -0.00 0.00 0.01 0.05 0.06 -0.14 0.04 -0.16 -0.14 0.00 0.02 -0.01 -0.06 -0.18 0.12 -0.00 -0.24 0.06 0.00 0.01 0.01 0.12 -0.16 -0.09 -0.04 0.08 -0.07 -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 0.01 -0.00 -0.00 0.01 -0.00 0.10 -0.10 0.04 -0.08 0.12 -0.06 -0.12 0.14 -0.28 0.01 -0.02 -0.01 -0.09 -0.01 -0.05 -0.02 0.00 0.02 0.43 -0.18 -0.15 0.14 0.17 0.27 0.14 -0.05 -0.29 -0.00 -0.00 -0.01 0.05 0.02 0.21 -0.02 0.01 -0.01 0.14 0.00 0.25 0.01 -0.00 0.02 -0.04 0.07 -0.18 -0.00 0.00 0.01 -0.04 -0.07 -0.07 -0.04 -0.02 -0.09 -0.01 0.01 -0.01 0.15 -0.07 -0.02 0.00 -0.13 0.23 -0.00 -0.00 -0.01 -0.13 0.13 0.08 0.15 -0.08 -0.03 -0.01 0.01 -0.00 0.02 0.02 0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 -0.01 -0.01 -0.04 -0.02 -0.02 0.01 -0.01 -0.03 -0.05 0.06 -0.03 -0.10 0.01 -0.15 0.00 -0.01 -0.00 -0.05 -0.02 -0.06 0.03 -0.00 -0.01 -0.07 -0.03 -0.04 0.07 0.09 0.14 -0.33 0.26 0.36 0.00 -0.00 -0.01 0.01 -0.01 0.12 0.00 0.00 0.01 -0.07 0.07 -0.16 -0.01 -0.02 -0.02 0.02 -0.05 0.29 -0.00 0.00 0.00 -0.03 -0.04 -0.02 -0.03 0.00 -0.04 -0.01 0.00 0.00 0.15 -0.05 -0.03 0.00 0.04 0.15 -0.00 -0.01 -0.02 0.11 0.42 0.08 0.12 -0.26 0.36 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.01 0.01 0.02 -0.03 -0.02 0.01 -0.04 0.04 0.02 0.13 0.03 -0.05 -0.09 -0.14 -0.02 -0.00 0.01 0.00 0.13 0.02 0.09 0.02 0.02 -0.01 0.11 -0.22 -0.23 -0.11 -0.15 -0.06 -0.27 0.20 0.37 -0.00 -0.01 0.01 0.02 0.04 -0.15 -0.00 -0.00 0.00 0.06 -0.07 0.15 0.01 -0.01 0.01 -0.20 0.27 -0.07 0.01 0.00 0.01 -0.04 -0.13 -0.27 -0.01 0.00 -0.02 -0.01 0.02 -0.01 -0.09 -0.13 0.10 -0.01 -0.35 0.07 -0.00 0.01 0.01 0.05 -0.17 -0.08 0.03 0.09 -0.19 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.02 0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.06 0.06 0.01 0.01 -0.01 -0.02 -0.14 -0.02 0.05 -0.08 -0.13 -0.00 0.00 -0.02 -0.01 -0.18 0.01 -0.05 0.01 0.01 -0.01 0.04 -0.11 -0.12 0.19 0.26 0.15 -0.19 0.14 0.25 -0.00 0.00 -0.01 0.05 0.04 0.12 -0.00 0.00 -0.00 0.08 -0.04 0.16 0.02 -0.01 0.01 -0.18 0.24 -0.08 -0.01 -0.01 -0.01 0.09 0.23 0.33 0.04 -0.07 -0.01 0.01 -0.03 0.01 -0.01 0.17 -0.09 0.01 0.38 -0.17 -0.00 -0.01 0.01 -0.02 -0.19 -0.05 -0.16 0.14 -0.11 -0.00 0.00 -0.03 -0.09 -0.07 -0.02 -0.01 0.04 0.11 0.09 -0.06 -0.00 0.02 0.11 -0.08 -0.08 0.11 -0.15 -0.02 0.02 -0.00 -0.29 -0.20 0.19 -0.01 -0.02 -0.00 0.00 -0.01 -0.02 0.00 0.02 0.04 0.01 -0.01 -0.00 -0.11 0.08 0.08 0.08 0.10 0.13 -0.05 0.03 0.05 0.02 0.01 -0.02 -0.10 -0.15 0.26 0.00 -0.00 -0.00 -0.00 -0.02 0.00 0.00 -0.00 -0.01 -0.01 0.02 0.02 0.03 0.00 -0.01 -0.18 -0.39 -0.23 -0.09 0.32 0.25 0.00 0.01 0.01 -0.19 -0.05 0.11 -0.01 -0.07 -0.29 0.00 -0.01 0.00 -0.08 0.08 0.06 0.03 -0.03 0.02 0.00 -0.02 -0.02 -0.07 -0.06 -0.01 -0.01 0.04 0.11 0.07 -0.04 -0.00 0.01 0.07 -0.08 0.03 0.16 -0.10 0.01 -0.01 0.01 0.28 0.17 -0.17 0.02 0.04 -0.01 -0.00 0.01 0.02 0.05 -0.01 0.00 -0.00 0.00 0.00 0.09 -0.06 -0.06 -0.12 -0.16 -0.19 -0.02 0.02 0.00 -0.02 -0.01 0.03 0.11 0.17 -0.30 -0.00 0.00 0.00 -0.02 0.03 -0.05 -0.01 -0.00 -0.00 0.04 -0.06 0.05 -0.02 -0.01 0.01 0.17 0.36 0.24 0.07 -0.27 -0.22 -0.01 -0.00 -0.02 0.23 -0.02 -0.09 0.01 0.03 0.34 -0.01 -0.00 -0.01 0.09 0.06 -0.03 0.05 -0.06 0.06 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.02 -0.00 0.06 0.06 0.01 0.05 -0.05 -0.00 -0.18 -0.19 0.16 -0.01 0.07 -0.06 -0.00 0.00 -0.03 0.18 0.12 0.30 -0.01 0.01 0.01 0.24 -0.18 -0.17 -0.03 -0.06 0.09 0.02 -0.01 -0.03 0.01 0.01 -0.01 -0.07 -0.09 0.05 -0.01 0.00 0.02 -0.11 0.14 -0.27 -0.01 -0.00 0.01 0.04 -0.07 0.06 -0.01 -0.00 -0.03 0.04 0.15 0.36 0.04 0.15 0.25 -0.00 0.01 -0.01 0.01 -0.29 0.14 -0.00 -0.09 0.09 -0.01 0.01 0.01 0.29 -0.13 -0.15 -0.02 0.02 0.01 -0.00 -0.01 -0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.07 0.04 0.03 -0.09 0.09 0.04 -0.14 -0.20 0.16 0.09 -0.18 0.26 0.00 0.00 -0.01 0.05 -0.00 0.00 0.00 0.00 -0.01 -0.19 0.12 0.11 -0.03 -0.04 0.06 0.00 -0.02 0.04 0.01 0.01 -0.00 -0.04 -0.03 -0.01 0.00 -0.00 -0.02 0.17 -0.21 0.39 0.01 0.00 -0.02 -0.02 0.04 0.03 -0.01 0.00 -0.02 0.05 0.14 0.25 0.00 -0.02 -0.02 -0.00 0.02 -0.01 0.12 -0.37 0.15 0.00 -0.07 0.18 -0.01 0.01 -0.01 -0.23 0.15 0.12 0.26 -0.11 -0.08 -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 0.04 -0.00 -0.02 0.02 0.01 0.17 0.31 -0.26 0.05 -0.10 0.15 -0.01 -0.01 -0.01 0.13 0.18 0.43 -0.00 0.00 -0.00 -0.04 0.02 0.01 0.01 0.01 0.05 0.01 -0.02 0.01 -0.01 -0.02 -0.01 0.02 -0.01 0.09 -0.00 0.00 -0.01 0.09 -0.08 0.19 0.00 0.00 -0.01 0.00 -0.00 0.05 -0.00 -0.01 -0.02 -0.01 -0.01 0.07 0.07 0.25 0.46 -0.01 -0.02 -0.01 0.08 0.31 -0.21 -0.01 -0.03 0.08 -0.00 0.00 -0.01 -0.04 0.08 0.03 0.08 -0.06 0.02 -0.01 0.03 0.02 -0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 -0.07 0.02 0.05 -0.05 -0.00 -0.00 -0.01 0.01 0.22 -0.24 0.52 -0.00 -0.00 0.01 -0.06 -0.06 -0.13 -0.02 0.03 0.00 0.27 -0.26 -0.27 0.02 0.04 -0.03 0.09 -0.08 -0.04 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.07 -0.01 0.15 -0.02 0.01 -0.03 0.07 -0.11 0.20 0.00 0.00 0.01 -0.03 -0.08 -0.12 -0.03 -0.02 -0.08 0.00 -0.01 0.01 -0.03 0.04 -0.00 0.00 0.16 -0.15 -0.03 0.01 -0.00 0.34 0.04 -0.13 0.15 -0.14 0.10 -0.10 0.08 0.14 -0.00 -0.01 -0.01 0.01 -0.02 -0.06 0.06 -0.05 -0.00 -0.03 0.07 -0.02 0.19 -0.45 0.28 -0.10 0.09 0.06 0.00 0.04 -0.03 -0.04 0.06 -0.12 -0.00 -0.00 0.00 0.02 0.03 0.06 0.01 -0.00 -0.00 -0.03 0.04 0.04 -0.01 0.00 -0.05 -0.03 0.02 0.03 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.11 0.04 -0.23 0.00 -0.00 0.01 -0.04 0.05 -0.09 -0.00 -0.01 -0.00 0.01 0.03 0.10 -0.02 0.05 0.04 -0.00 -0.01 0.00 0.07 0.06 -0.06 0.00 0.19 -0.04 -0.01 0.00 0.02 -0.04 -0.04 0.01 0.54 -0.13 -0.34 0.08 -0.15 -0.05 0.01 0.02 0.00 -0.01 0.02 0.03 -0.05 0.04 0.00 -0.01 -0.01 0.00 0.03 0.35 -0.09 -0.09 0.08 0.06 0.08 0.11 -0.09 -0.00 0.02 -0.01 -0.00 -0.00 0.01 -0.08 -0.09 -0.20 -0.00 0.00 0.00 0.04 -0.04 -0.04 0.04 0.05 -0.02 -0.00 0.00 0.03 -0.01 -0.01 -0.00 0.02 0.01 0.04 0.00 -0.01 0.01 -0.13 0.08 -0.27 0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.00 0.00 -0.00 -0.01 -0.04 -0.07 0.03 0.05 0.11 0.00 -0.00 0.01 0.01 -0.07 0.05 0.00 0.18 -0.15 -0.01 0.01 0.02 -0.04 -0.12 -0.01 0.61 -0.15 -0.37 0.39 -0.13 0.54 -0.10 -0.05 -0.05 -0.02 -0.02 -0.11 -0.10 0.06 -0.03 -0.00 0.09 -0.14 0.05 0.11 -0.11 0.07 -0.06 -0.04 0.07 0.12 -0.11 0.05 -0.01 0.07 0.01 -0.01 0.00 -0.06 -0.04 -0.10 -0.00 -0.00 0.00 0.00 -0.05 -0.05 -0.00 0.01 -0.01 -0.06 0.07 0.07 -0.00 -0.00 -0.00 -0.05 -0.08 0.09 -0.00 0.01 -0.00 0.03 -0.02 0.08 -0.00 -0.01 -0.01 -0.04 0.06 -0.06 -0.01 0.00 -0.02 0.01 0.03 0.13 0.05 0.10 0.22 0.00 0.01 0.00 -0.03 -0.14 0.08 -0.00 -0.11 0.01 0.02 -0.01 -0.00 -0.03 0.14 0.05 -0.38 0.09 0.18 0.05 -0.04 0.02 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.09 -0.04 -0.02 0.01 0.01 -0.20 -0.31 0.26 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.19 0.19 0.45 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.09 -0.00 0.00 0.01 0.01 0.02 0.00 -0.05 -0.03 -0.06 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.02 0.00 0.00 0.03 -0.02 -0.06 -0.18 -0.06 -0.22 -0.38 -0.01 -0.02 -0.01 0.08 0.38 -0.25 -0.00 0.06 0.09 -0.01 0.00 0.00 0.01 0.00 -0.00 0.15 -0.05 -0.07 0.25 0.32 -0.10 -0.09 -0.08 -0.01 -0.01 -0.02 0.00 -0.02 -0.02 0.01 -0.03 -0.09 0.07 0.02 0.03 0.07 -0.02 0.01 0.01 0.03 0.01 -0.02 0.07 -0.16 0.22 0.00 -0.00 -0.00 -0.02 0.01 0.02 -0.01 0.01 -0.00 0.15 -0.11 -0.11 0.01 0.01 0.04 -0.02 0.01 0.04 -0.01 0.00 0.00 -0.01 -0.02 0.01 0.00 -0.01 0.02 -0.18 0.15 -0.41 0.01 -0.00 -0.01 -0.08 0.11 -0.04 0.00 0.00 -0.00 -0.01 0.02 0.03 0.03 -0.04 0.00 -0.00 -0.00 -0.00 0.04 0.01 -0.02 -0.00 -0.01 0.05 0.02 -0.01 0.00 -0.55 0.09 0.25 0.12 0.02 -0.11 0.09 0.11 -0.02 -0.03 -0.03 -0.01 -0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.04 0.02 0.02 0.09 -0.00 -0.05 0.05 0.04 0.02 0.01 -0.01 -0.10 0.23 -0.32 -0.00 -0.00 0.00 -0.01 -0.02 -0.04 0.01 -0.01 -0.00 -0.17 0.17 0.18 0.01 0.01 -0.01 -0.03 0.03 0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.02 0.17 -0.15 0.38 -0.01 -0.00 0.02 0.06 -0.10 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.03 -0.01 0.02 -0.00 0.06 -0.05 -0.04 0.01 0.00 0.59 -0.13 -0.28 0.19 -0.09 -0.05 -0.14 0.11 0.14 0.02 -0.00 -0.01 0.01 -0.02 -0.02 0.03 -0.02 -0.01 0.04 -0.09 -0.01 -0.10 0.86 -0.39 -0.02 0.02 0.01 -0.00 0.02 -0.01 0.00 -0.02 0.02 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 -0.02 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.02 0.02 -0.06 0.00 0.00 0.00 -0.01 0.02 -0.04 -0.00 0.00 0.00 -0.01 -0.02 -0.05 0.02 -0.02 0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.07 -0.01 0.02 0.07 -0.01 -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 -0.01 0.00 -0.37 0.35 0.27 0.01 -0.00 0.00 -0.02 -0.03 0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.06 -0.07 -0.06 0.00 0.01 -0.00 -0.01 0.05 -0.08 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.06 -0.02 0.38 0.69 0.06 -0.00 0.00 0.00 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 -0.00 -0.01 0.00 0.00 0.00 0.01 0.01 0.00 -0.01 -0.00 0.01 0.04 0.00 -0.08 0.03 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 -0.01 -0.00 -0.01 -0.04 0.03 0.05 -0.00 0.00 -0.00 0.02 0.03 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.04 0.00 -0.05 0.55 0.33 0.33 0.00 0.00 0.00 0.12 -0.36 0.55 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.06 0.12 0.01 -0.00 -0.00 -0.00 -0.01 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 0.00 0.03 -0.00 -0.01 -0.00 -0.01 -0.02 0.00 0.00 -0.00 -0.02 -0.04 -0.01 -0.01 -0.02 0.06 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 0.01 -0.01 -0.01 0.18 -0.15 0.03 -0.07 -0.09 -0.01 -0.05 -0.01 0.02 0.61 -0.20 -0.09 -0.00 0.00 -0.00 0.02 0.01 0.01 0.25 0.42 -0.27 -0.00 -0.01 0.03 -0.02 0.00 -0.01 0.09 0.07 0.18 -0.00 0.00 0.00 -0.01 -0.02 -0.00 0.00 0.01 0.00 0.05 -0.07 -0.04 0.00 -0.01 0.00 0.04 0.07 -0.04 -0.07 0.07 -0.01 0.01 -0.00 -0.01 -0.18 0.02 0.05 0.01 0.05 0.20 -0.00 -0.01 0.00 0.04 0.14 0.03 -0.03 0.07 -0.12 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 0.00 -0.00 -0.28 0.22 -0.05 -0.13 -0.16 -0.03 -0.02 -0.01 0.01 0.27 -0.10 -0.04 0.00 0.00 0.00 -0.02 -0.02 -0.02 0.14 0.22 -0.10 -0.02 0.02 -0.01 0.02 -0.01 0.02 -0.14 -0.10 -0.26 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.08 -0.11 -0.11 -0.00 -0.00 0.00 0.04 0.07 -0.01 -0.04 0.02 -0.03 -0.03 0.02 0.03 0.44 -0.06 -0.13 -0.02 -0.21 -0.35 0.00 0.02 -0.01 -0.09 -0.25 -0.04 0.03 -0.12 0.22 -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 0.01 0.01 -0.01 -0.01 -0.25 0.20 -0.04 -0.20 -0.25 -0.02 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.04 0.01 0.01 0.02 0.02 0.01 -0.00 -0.01 0.05 0.02 -0.01 0.02 -0.11 -0.07 -0.26 -0.00 0.00 0.00 -0.01 -0.02 -0.01 0.00 0.02 0.01 0.16 -0.21 -0.12 -0.00 0.04 -0.02 -0.20 -0.31 0.18 0.30 -0.29 0.08 0.01 -0.00 -0.01 -0.11 0.02 0.03 0.00 0.05 0.09 -0.00 -0.03 0.01 0.13 0.32 0.05 -0.06 0.17 -0.28 -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 -0.01 0.01 0.01 -0.05 0.04 -0.01 0.37 0.46 0.06 -0.02 -0.01 0.01 0.20 -0.06 -0.02 -0.00 -0.00 0.00 -0.02 0.00 0.01 0.09 0.14 -0.07 0.02 -0.00 -0.06 0.00 -0.00 0.00 -0.01 -0.00 -0.07 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.01 -0.05 -0.02 -0.26 0.34 0.28 -0.01 0.03 -0.01 -0.14 -0.21 0.14 0.22 -0.22 0.05 -0.01 0.01 0.01 0.19 -0.02 -0.06 -0.01 -0.09 -0.14 -0.00 -0.01 0.01 0.05 0.11 0.02 -0.05 0.07 -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 0.01 -0.01 0.01 0.00 -0.00 -0.00 0.41 -0.32 0.08 -0.14 -0.17 -0.02 0.00 0.00 -0.00 -0.03 0.03 0.03 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.05 -0.07 -0.02 -0.01 0.01 0.01 -0.04 0.01 -0.03 0.21 0.16 0.35 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.02 0.01 0.10 -0.13 -0.10 -0.01 0.03 -0.01 -0.14 -0.21 0.16 0.22 -0.24 0.04 -0.02 0.01 0.02 0.34 -0.04 -0.10 -0.02 -0.15 -0.29 0.00 0.00 -0.00 -0.00 -0.04 -0.01 -0.01 -0.01 0.03 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 0.02 -0.00 0.01 -0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.01 0.01 0.00 -0.00 -0.08 0.03 0.02 -0.00 0.00 -0.00 0.03 0.01 0.02 -0.04 -0.06 0.03 0.01 -0.02 0.02 0.00 0.00 -0.00 -0.01 -0.01 0.03 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.02 -0.03 0.03 0.00 -0.03 0.01 0.17 0.27 -0.13 -0.24 0.22 -0.07 -0.02 0.01 0.02 0.32 -0.04 -0.09 -0.01 -0.14 -0.28 -0.00 -0.04 0.02 0.21 0.46 0.07 -0.13 0.28 -0.43 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 -0.06 -0.05 0.01 0.00 0.00 0.00 -0.08 0.06 0.06 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.08 0.09 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 0.72 -0.34 -0.44 0.00 -0.00 -0.00 0.02 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.02 0.01 -0.10 0.07 -0.27 0.10 0.17 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 -0.00 0.00 0.10 0.23 0.38 0.06 -0.04 -0.05 -0.01 -0.03 0.02 0.13 0.56 -0.27 0.00 -0.00 0.00 0.00 0.01 -0.01 0.05 -0.05 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.02 0.03 -0.04 -0.02 -0.00 0.00 0.00 0.06 -0.03 -0.04 -0.00 0.00 0.00 -0.02 -0.01 0.00 0.01 0.01 -0.01 0.06 -0.02 -0.00 -0.19 -0.15 0.11 0.00 0.01 0.02 -0.16 -0.20 -0.39 0.12 0.01 0.01 -0.01 0.00 -0.01 0.08 -0.06 0.21 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 0.01 -0.02 -0.02 0.00 -0.03 -0.08 -0.12 0.28 -0.18 -0.20 0.00 0.01 -0.00 -0.02 -0.10 0.05 0.00 -0.00 0.00 0.00 0.04 -0.04 -0.02 0.01 0.00 -0.03 -0.03 -0.01 0.00 0.00 0.01 -0.01 0.01 0.01 -0.01 0.01 0.01 0.21 -0.09 -0.13 -0.01 0.01 0.01 -0.07 -0.04 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.09 0.07 -0.05 -0.01 -0.00 -0.01 0.05 0.07 0.13 0.03 0.00 -0.00 -0.02 0.00 -0.05 0.28 -0.22 0.72 0.09 0.18 0.07 -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 0.01 0.02 0.02 -0.00 -0.02 -0.04 -0.06 0.07 -0.04 -0.05 0.00 0.01 -0.00 -0.02 -0.11 0.05 0.00 -0.00 0.00 0.00 0.03 -0.03 -0.01 0.01 -0.00 -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.19 0.08 0.12 -0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.00 0.11 -0.06 0.01 -0.06 -0.04 0.03 0.01 0.01 0.02 -0.09 -0.13 -0.24 -0.10 -0.00 0.01 -0.02 -0.05 -0.01 -0.07 0.03 -0.16 0.40 0.69 0.35 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 0.16 0.37 0.60 0.24 -0.16 -0.17 0.00 0.01 -0.01 -0.04 -0.19 0.10 0.00 -0.00 0.00 0.00 0.06 -0.06 0.03 -0.01 -0.00 -0.03 -0.03 -0.01 -0.01 -0.02 -0.04 0.05 -0.07 -0.03 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.01 0.01 0.01 -0.02 -0.00 0.01 0.01 0.00 -0.00 -0.05 0.04 -0.01 -0.11 -0.09 0.06 -0.00 -0.01 -0.02 0.16 0.21 0.39 -0.11 -0.01 -0.01 0.00 -0.01 0.01 -0.05 0.04 -0.13 0.04 0.07 0.04 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 0.01 -0.00 -0.01 -0.03 -0.04 -0.12 0.08 0.08 -0.01 -0.03 0.02 0.13 0.56 -0.28 -0.00 0.00 -0.00 -0.00 -0.03 0.03 0.05 -0.05 0.01 0.01 0.01 0.00 0.00 0.00 0.00 -0.02 0.02 0.00 0.00 -0.00 -0.00 -0.09 0.04 0.06 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.02 0.01 -0.07 0.03 -0.00 0.27 0.22 -0.16 -0.01 -0.01 -0.03 0.18 0.24 0.45 -0.05 -0.00 -0.01 -0.01 -0.01 -0.01 -0.02 0.01 -0.04 0.13 0.23 0.12 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 -0.07 -0.15 -0.25 0.56 -0.37 -0.40 -0.00 -0.01 0.01 0.05 0.20 -0.10 0.00 -0.01 0.01 0.01 0.14 -0.14 0.00 -0.01 0.00 -0.07 -0.06 -0.02 0.01 0.01 0.01 -0.03 0.04 0.01 -0.00 0.00 0.00 0.03 -0.01 -0.02 -0.03 0.02 0.03 -0.05 -0.01 0.01 -0.00 -0.00 0.00 -0.02 0.01 0.00 0.09 0.07 -0.05 -0.00 0.00 0.00 -0.02 -0.03 -0.06 0.03 0.00 -0.00 0.01 0.00 0.03 -0.13 0.11 -0.35 -0.07 -0.13 -0.06 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 0.08 0.18 0.30 0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.03 -0.14 0.07 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -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 -0.03 -0.03 0.02 -0.08 0.02 0.01 0.59 0.48 -0.35 0.00 0.01 0.02 -0.12 -0.16 -0.29 0.07 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -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 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.18 0.12 0.13 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.03 0.04 0.04 0.66 -0.66 0.00 -0.00 -0.00 -0.16 -0.15 -0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.07 -0.03 -0.04 0.01 -0.01 -0.01 0.04 0.03 -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 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 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 0.02 -0.01 -0.03 -0.00 -0.00 0.00 0.01 0.02 0.04 0.01 -0.01 -0.01 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.02 0.02 0.01 0.00 -0.00 -0.00 -0.04 0.04 0.01 -0.00 0.00 0.00 0.02 -0.01 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.06 0.02 -0.00 0.83 -0.47 0.08 0.05 0.07 -0.05 0.01 -0.00 -0.00 0.03 0.04 0.07 -0.22 0.00 0.00 0.00 0.01 0.00 0.01 -0.00 0.01 -0.05 -0.09 -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 -0.01 0.01 0.01 -0.00 0.00 0.01 0.01 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.06 0.03 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.05 0.04 0.00 -0.02 -0.02 -0.01 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.05 0.02 0.03 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.01 -0.00 0.19 -0.11 0.02 -0.02 -0.01 0.01 -0.06 -0.00 -0.01 0.02 0.06 0.12 0.95 -0.01 -0.02 -0.00 -0.01 0.00 -0.03 0.02 -0.07 0.04 0.07 0.04 -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 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.03 -0.02 -0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.05 -0.00 -0.01 0.15 -0.17 0.02 -0.01 -0.00 0.70 0.62 0.23 -0.00 0.00 0.00 0.04 -0.04 -0.01 -0.00 0.00 0.00 0.02 -0.01 -0.01 0.00 0.01 0.00 -0.10 -0.07 0.00 0.00 -0.00 0.00 -0.02 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 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 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.03 0.01 0.04 0.01 -0.01 -0.01 -0.03 0.02 -0.00 -0.02 -0.04 0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.43 -0.29 -0.02 0.04 0.04 0.01 0.03 -0.04 -0.01 -0.57 0.59 0.10 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.15 0.11 -0.00 0.00 0.00 -0.00 -0.03 0.02 -0.00 -0.03 -0.03 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 -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 0.00 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 -0.03 -0.03 -0.06 0.03 -0.04 -0.03 -0.03 0.02 0.00 -0.02 -0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.43 -0.29 -0.02 0.03 0.03 0.01 -0.02 0.02 0.01 0.33 -0.34 -0.05 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.04 -0.02 0.00 0.56 0.42 -0.02 -0.00 0.00 0.00 0.03 -0.02 0.00 0.02 0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.05 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -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 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.02 -0.02 -0.04 -0.03 0.04 0.03 -0.03 0.03 -0.00 -0.03 -0.04 0.03 0.00 0.00 0.00 0.00 -0.01 0.01 0.56 -0.37 -0.03 -0.08 -0.07 -0.03 -0.01 0.01 0.00 0.18 -0.18 -0.03 0.00 0.00 0.00 -0.00 0.00 -0.00 0.04 0.02 -0.00 -0.54 -0.40 0.01 -0.00 0.00 0.00 0.04 -0.02 0.00 0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.02 -0.01 -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 0.00 0.03 -0.01 -0.05 -0.53 0.25 0.81 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 -0.01 -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 0.03 -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 -0.01 -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 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.68 0.72 -0.06 -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 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.05 -0.04 0.01 0.04 -0.05 -0.04 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 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.00 5 9 9 9 8 1 1 1 1 8 1 8 1 1 1 8 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 29 30 5 9 9 9 8 1 1 1 1 8 1 8 1 1 1 8 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 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 229.09177 2995.15252 4906.40188 5752.45166 0.99996 0.00806 -0.00371 -0.00812 0.99985 -0.01533 0.00359 0.01536 0.99988 asymmetric 1 0.02892 0.01765 0.01506 0.60255 0.36783 0.31373 610807.6 41.58 61.82 69.64 87.92 95.61 102.30 118.24 121.72 135.91 164.65 194.71 200.20 205.33 217.73 235.00 284.02 285.58 293.56 313.67 320.37 334.01 341.05 344.96 361.41 389.59 444.75 503.69 571.26 622.47 639.01 676.49 692.11 697.43 711.89 728.84 748.73 764.35 798.41 802.17 838.59 907.54 932.87 941.93 965.17 999.67 1004.93 1069.27 1072.62 1149.76 1171.69 1200.80 1210.45 1271.86 1379.25 1470.27 1490.05 1512.82 1540.56 1676.05 2397.69 2415.02 2447.68 2464.85 2470.90 2472.35 2478.94 2505.56 4790.81 4954.48 4970.10 5012.75 5061.33 5078.18 5079.11 5139.77 5200.69 5278.17 5316.52 5381.40 5424.38 5436.04 5453.30 5571.16 5597.04 0.232644 0.257144 0.258088 0.179119 -1012.267810 -1012.243311 -1012.242367 -1012.321336 161.360 84.831 166.205 0.000 0.000 0.000 0.889 2.981 42.189 0.889 2.981 32.802 159.583 78.870 91.213 1 0.593 1.984 5.904 2 0.595 1.980 5.117 3 0.595 1.978 4.882 4 0.597 1.973 4.421 5 0.598 1.970 4.256 6 0.598 1.968 4.123 7 0.600 1.961 3.838 8 0.601 1.960 3.781 9 0.603 1.953 3.565 10 0.607 1.937 3.192 11 0.613 1.918 2.869 12 0.615 1.914 2.816 13 0.616 1.910 2.767 14 0.619 1.901 2.655 15 0.623 1.887 2.511 16 0.637 1.844 2.157 17 0.637 1.842 2.147 18 0.640 1.834 2.096 19 0.646 1.814 1.976 20 0.648 1.807 1.937 21 0.653 1.792 1.862 22 0.656 1.784 1.825 23 0.657 1.780 1.805 24 0.663 1.761 1.722 25 0.674 1.727 1.591 26 0.698 1.656 1.367 27 0.727 1.575 1.166 28 0.764 1.476 0.974 29 0.794 1.399 0.850 30 0.804 1.374 0.814 31 0.827 1.316 0.737 32 0.837 1.292 0.707 33 0.841 1.284 0.697 34 0.850 1.262 0.671 35 0.862 1.235 0.642 36 0.875 1.205 0.609 37 0.886 1.181 0.584 38 0.910 1.129 0.534 39 0.913 1.123 0.529 40 0.940 1.068 0.480 0.408428e-82 -82.388884 -189.707417 0.416850e+25 24.619980 56.689599 0.910509e-97 -97.040716 -223.444505 1 0.716510e+01 0.855222 1.969222 2 0.481438e+01 0.682540 1.571607 3 0.427188e+01 0.630619 1.452055 4 0.337894e+01 0.528781 1.217563 5 0.310507e+01 0.492071 1.133036 6 0.290017e+01 0.462423 1.064769 7 0.250514e+01 0.398832 0.918345 8 0.243253e+01 0.386059 0.888933 9 0.217486e+01 0.337431 0.776963 10 0.178805e+01 0.252380 0.581126 11 0.150435e+01 0.177350 0.408363 12 0.146163e+01 0.164837 0.379552 13 0.142376e+01 0.153436 0.353300 14 0.133939e+01 0.126906 0.292212 15 0.123646e+01 0.092179 0.212249 16 0.101107e+01 0.004780 0.011007 17 0.100513e+01 0.002224 0.005121 18 0.975734e+00 -0.010669 -0.024565 19 0.908060e+00 -0.041885 -0.096445 20 0.887342e+00 -0.051909 -0.119525 21 0.847610e+00 -0.071804 -0.165334 22 0.828314e+00 -0.081805 -0.188363 23 0.817920e+00 -0.087289 -0.200990 24 0.776552e+00 -0.109830 -0.252892 25 0.713433e+00 -0.146647 -0.337667 26 0.612025e+00 -0.213231 -0.490982 27 0.526989e+00 -0.278198 -0.640575 28 0.449872e+00 -0.346911 -0.798792 29 0.401903e+00 -0.395879 -0.911545 30 0.387949e+00 -0.411225 -0.946882 31 0.358684e+00 -0.445288 -1.025313 32 0.347364e+00 -0.459216 -1.057383 33 0.343622e+00 -0.463919 -1.068214 34 0.333702e+00 -0.476641 -1.097506 35 0.322544e+00 -0.491411 -1.131516 36 0.310064e+00 -0.508549 -1.170977 37 0.300690e+00 -0.521881 -1.201675 38 0.281462e+00 -0.550579 -1.267756 39 0.279433e+00 -0.553723 -1.274993 40 0.260698e+00 -0.583863 -1.344394 0.929285e+10 9.968149 22.952511 1 0.768252e+01 0.885504 2.038948 2 0.534027e+01 0.727563 1.675276 3 0.480104e+01 0.681336 1.568833 4 0.391574e+01 0.592813 1.365003 5 0.364507e+01 0.561706 1.293375 6 0.344295e+01 0.536931 1.236330 7 0.305455e+01 0.484947 1.116632 8 0.298339e+01 0.474710 1.093059 9 0.273159e+01 0.436416 1.004885 10 0.235664e+01 0.372294 0.857239 11 0.208527e+01 0.319162 0.734898 12 0.204479e+01 0.310648 0.715293 13 0.200900e+01 0.302981 0.697638 14 0.192967e+01 0.285483 0.657349 15 0.183373e+01 0.263334 0.606350 16 0.162794e+01 0.211640 0.487318 17 0.162263e+01 0.210219 0.484048 18 0.159638e+01 0.203137 0.467741 19 0.153662e+01 0.186565 0.429583 20 0.151852e+01 0.181420 0.417734 21 0.148410e+01 0.171462 0.394805 22 0.146752e+01 0.166585 0.383577 23 0.145864e+01 0.163949 0.377506 24 0.142360e+01 0.153387 0.353187 25 0.137120e+01 0.137100 0.315685 26 0.129030e+01 0.110691 0.254875 27 0.122644e+01 0.088647 0.204117 28 0.117260e+01 0.069148 0.159220 29 0.114150e+01 0.057477 0.132346 30 0.113285e+01 0.054174 0.124740 31 0.111535e+01 0.047411 0.109167 32 0.110882e+01 0.044861 0.103296 33 0.110669e+01 0.044027 0.101376 34 0.110113e+01 0.041839 0.096337 35 0.109501e+01 0.039417 0.090762 36 0.108834e+01 0.036763 0.084650 37 0.108345e+01 0.034809 0.080151 38 0.107378e+01 0.030914 0.071183 39 0.107279e+01 0.030513 0.070258 40 0.106388e+01 0.026894 0.061925 0.100000e+01 0.000000 0.000000 0.136291e+09 8.134468 18.730305 0.329127e+07 6.517363 15.006783 as ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 4.5296 -0.0254 -2.1387 5.0092 -127.1024 -105.6903 -99.5656 11.0196 -6.5104 -2.0383 -16.3163 5.0958 11.2205 11.0196 -6.5104 -2.0383 62.6691 -18.0644 -16.5125 36.0296 31.4422 -19.4430 13.2478 -25.3801 -3.0525 -6.1260 -3112.5057 -1395.4394 -885.5910 140.7802 -90.2996 123.1816 -33.4282 -34.2615 2.6238 -652.7462 -687.5006 -337.2877 -34.7559 -26.6420 18.4362 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1012.5004547 2.562E-9 1.595E-5 0.2326443 0.2571439 -1012.2433107 -1012.2423665 -1012.3213358 -5.2833517,-3.9125937,9.1959454,10.8451256,1.2125366,-5.0415971 C01 [X(B1F3H17O9)] 1.2396771 -0.5671664 -1.4231898 1.9121546 0.0124761 -0.1253562 -0.0042424 1.865926 -0.0243255 -0.1014141 -0.0257791 1.7171622 -1.1439781 -0.0946127 0.1562602 -0.1113824 -0.5884054 -0.0063646 0.1543072 -0.0025412 -0.4917226 -0.6916717 -0.0460631 -0.1412218 -0.0272282 -0.5817784 -0.1648509 -0.1739226 -0.2049499 -0.9341164 -0.7834001 0.2488395 0.1448862 0.2719835 -0.9556604 -0.1471466 0.1426326 -0.146588 -0.521079 -0.902301 -0.0288381 0.0403844 -0.0748582 -1.0286436 0.262664 -0.0041882 0.2644448 -0.7220174 0.3313449 -0.0135312 0.0059968 -0.0049011 0.2421221 -0.0530315 0.0134761 -0.0295838 0.2297145 0.2103065 -0.0602555 0.0399335 -0.0991794 0.2135901 0.0150769 -0.0041286 -0.0298634 0.3181454 0.5840337 0.1077557 0.1249399 0.1404716 0.2989658 0.077381 0.1494572 0.0669692 0.4142388 0.3045922 -0.067909 -0.0284951 -0.0667299 0.3926517 0.1682079 -0.0174244 0.1826187 0.589785 -0.7602646 -0.1115747 -0.1046596 -0.099469 -0.7628361 0.0505542 -0.090671 0.0442915 -0.779544 0.3133672 0.0989144 -0.0768612 0.1362288 0.5108691 -0.2003285 -0.0828987 -0.1740365 0.4800668 -0.6387211 -0.013717 0.1067814 -0.0016667 -0.8331843 -0.0748946 0.1556135 -0.0836337 -0.8081519 0.263316 0.0469308 -0.0946369 0.013769 0.5535643 -0.1516397 -0.081987 -0.1378562 0.3939638 0.2784532 -0.0234273 0.0045728 -0.0599082 0.3823473 0.0918098 0.0019167 0.0572296 0.3589894 0.4909381 -0.0176384 -0.0830253 0.0315549 0.3275277 0.0348065 -0.1132729 0.0342819 0.2854744 -0.8278811 -0.1358664 0.044131 -0.1724901 -0.6578341 0.0513588 0.0678922 0.0180807 -0.8155099 0.3636534 0.0038627 -0.0578609 -0.0370852 0.3386575 0.0330694 -0.0957589 0.0565684 0.3198214 -0.617082 0.1455672 0.1370305 0.2099009 -0.6595525 -0.0179199 0.2156541 0.043835 -0.9371747 0.4487398 -0.1402823 -0.277018 -0.1671759 0.3075402 0.1785293 -0.3343555 0.1464445 0.7102069 -0.6796736 0.1476226 -0.0583442 0.1952336 -0.7386194 0.0537557 -0.0711195 0.0426025 -0.8593698 0.4331743 -0.0252846 0.0502763 -0.0597812 0.2549868 -0.0259301 0.0239014 -0.0321134 0.3244447 -0.888159 -0.0090549 -0.0193475 -0.0143992 -0.691568 -0.0378503 -0.0381266 -0.0189359 -0.8049383 0.4338392 -0.2045033 -0.001434 -0.1745354 0.4277101 0.031484 -0.0107322 0.0507894 0.2813725 0.4168396 0.0847515 -0.133805 0.0634323 0.333923 -0.1260767 -0.130605 -0.1429228 0.5005144 -0.8425465 -0.0693702 0.0022477 -0.0776483 -0.8548001 0.0584984 -0.0183969 0.0794413 -0.6991095 0.5262074 0.1415448 0.19387 0.1225675 0.3881559 0.0586261 0.1743964 0.0660334 0.3571916 0.4426432 -0.1274547 -0.1015988 -0.1090166 0.4284128 0.0732841 -0.054467 0.043548 0.2578223 -0.9884458 0.1111655 0.075505 0.1265473 -0.8090931 -0.1121285 0.0985795 -0.0855019 -0.8751697 0.3831743 -0.1584463 0.1401564 -0.1418713 0.4867759 -0.1678341 0.1410187 -0.1941195 0.4474115 0.6273471 0.1983986 0.0366923 0.1918791 0.4082488 0.0712157 0.0846236 0.1112464 0.2615778 99.9160783|-1.6450662|94.6398672|-4.6162979|1.1138488|93.7077506 0.000009792 -0.000018898 -0.000014464 -0.000037758 -0.000001357 0.000007925 -0.000015907 0.000015155 0.000023165 0.000009721 -0.000010262 -0.000009834 -0.000006020 0.000007683 -0.000004065 0.000003766 0.000002589 -0.000005597 0.000012919 -0.000001812 -0.000000721 0.000003251 0.000009365 -0.000008132 -0.000001732 -0.000007628 -0.000013389 -0.000028432 -0.000020032 0.000027721 0.000013359 0.000023937 -0.000025366 0.000009125 -0.000012746 -0.000008599 0.000007785 0.000018218 -0.000006979 0.000046257 0.000000807 -0.000004643 -0.000011193 -0.000001240 0.000006919 -0.000026147 0.000012513 -0.000002902 0.000012054 -0.000020825 -0.000011546 -0.000013825 -0.000015218 -0.000008300 -0.000005243 0.000014305 0.000012619 0.000019210 0.000016138 0.000009754 -0.000024816 -0.000002566 0.000005252 0.000018475 0.000012550 0.000003383 -0.000000334 -0.000020105 -0.000008244 -0.000013545 -0.000008727 0.000028347 -0.000007437 0.000016216 0.000039759 0.000000656 0.000002000 -0.000029131 0.000003772 -0.000007023 -0.000006572 -0.000033087 0.000017077 0.000006737 0.000030062 -0.000015723 0.000009519 0.000025275 -0.000004393 -0.000012618 211.8008096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;22;25;28;6;7;8;9;11;13;14;15;17;19;21;23;24;26;27;29;30/rA:30nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.6336,-1.3039,-.1204;-1.9942,-1.612,.0695;-.0792,-.9083,1.1384;.0529,-2.4582,-.5863;-.4461,-.1997,-1.0602;-.3647,-.5351,-1.9576;3.683,.6952,-2.9042;-2.8616,.8993,1.8193;2.962,-1.0935,.562;-1.2439,1.2827,2.6367;-.8698,2.0271,2.1173;2.8726,-2.081,-1.0055;2.905,-1.3749,-1.6777;-.7671,.5077,2.3079;1.9422,-2.3517,-.9611;-3.5471,.6347,1.1695;-3.2427,-.2298,.8573;2.8746,.2678,-2.6098;2.5151,.8363,-1.8855;2.7555,-.4568,1.2785;1.8721,-.7284,1.5654;-2.2289,2.0582,-.878;-1.6731,1.2824,-1.0671;-2.8699,1.7018,-.2297;-.2889,3.1949,.8128;-.9926,2.971,.1674;.5164,2.8129,.4254;1.6972,1.4393,-.455;2.1613,.9285,.2462;.8945,.9007,-.6287; Gaussian 16 1-Aug-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 84 C1[X(BF3H17O9)] 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 0 0 211.8008096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;22;25;28;6;7;8;9;11;13;14;15;17;19;21;23;24;26;27;29;30/rA:30nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.6336,-1.3039,-.1204;-1.9942,-1.612,.0695;-.0792,-.9083,1.1384;.0529,-2.4582,-.5863;-.4461,-.1997,-1.0602;-.3647,-.5351,-1.9576;3.683,.6952,-2.9042;-2.8616,.8993,1.8193;2.962,-1.0935,.562;-1.2439,1.2827,2.6367;-.8698,2.0271,2.1173;2.8726,-2.081,-1.0055;2.905,-1.3749,-1.6777;-.7671,.5077,2.3079;1.9422,-2.3517,-.9611;-3.5471,.6347,1.1695;-3.2427,-.2298,.8573;2.8746,.2678,-2.6098;2.5151,.8363,-1.8855;2.7555,-.4568,1.2785;1.8721,-.7284,1.5654;-2.2289,2.0582,-.878;-1.6731,1.2824,-1.0671;-2.8699,1.7018,-.2297;-.2889,3.1949,.8128;-.9926,2.971,.1674;.5164,2.8129,.4254;1.6972,1.4393,-.455;2.1613,.9285,.2462;.8945,.9007,-.6287; oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/acidity/ #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 acidity/ CONF15 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 29 30 11 19 19 19 16 1 1 1 1 16 1 16 1 1 1 16 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 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 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 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 401 A 388 A 388 604 401 61 61 1072.6010903827 30 30 30 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) -0.0339649955 0.000000 1.407921 0.000000 1.431250 2.303279 0.000000 1.421532 2.310150 2.322632 0.000000 1.462081 2.380572 2.338927 2.361051 0.000000 2.009692 2.814994 3.131494 2.398582 0.961539 0.000000 5.511728 6.811507 5.750485 5.338045 4.609901 4.335130 0.000000 3.685182 3.181294 3.387112 5.055108 3.915815 4.749467 8.073714 0.000000 3.665825 5.007547 3.100890 3.412370 3.878935 4.210385 3.966644 6.282230 0.000000 3.829494 3.941180 2.898633 5.105363 4.062168 5.018546 7.437869 1.852537 5.257495 0.000000 4.019834 4.324445 3.193727 5.317859 3.903179 4.839994 6.907825 2.308216 5.180795 0.981755 0.000000 3.698693 5.006099 3.832059 2.875525 3.815251 3.711589 3.459668 7.052819 1.854818 6.444104 6.374524 0.000000 3.866776 5.206842 4.129643 3.240271 3.604550 3.387383 2.528851 7.117230 2.258096 6.549172 6.342395 0.975429 0.000000 3.032577 3.318034 1.961113 4.224444 3.456526 4.409578 6.856020 2.186047 4.417991 0.967548 1.534765 5.561269 5.737103 0.000000 2.905048 4.135765 3.252342 1.929066 3.216395 3.100745 4.011231 6.432434 2.223336 6.025406 6.046395 0.969986 1.547478 5.118941 0.000000 3.729711 2.944322 3.795808 5.060540 3.909439 4.612529 8.298999 0.980932 6.761999 2.806642 3.163075 7.301918 7.333160 3.006736 6.602330 0.000000 2.986197 2.022373 3.247661 4.232163 3.390947 4.037373 7.935378 1.531478 6.271531 3.073914 3.508795 6.655372 6.747774 2.962542 5.890059 0.968178 0.000000 4.579823 5.866618 4.914995 4.414502 3.694202 3.400397 0.960680 7.274579 3.452758 6.746743 6.281857 2.844419 1.888999 6.124025 3.232574 7.460296 7.049104 0.000000 4.196511 5.490920 4.349521 4.313304 3.244022 3.190485 1.556112 6.529856 3.148736 5.897535 5.375786 3.068033 2.254929 5.335382 3.368432 6.791527 6.466265 0.988406 0.000000 3.763023 5.035456 2.873832 3.845459 3.973170 4.496009 4.436489 5.803703 0.980524 4.567970 4.473987 2.805100 3.099144 3.794579 3.044395 6.397354 6.017270 3.957054 3.426515 0.000000 3.074286 4.238663 2.005481 3.306298 3.542226 4.177574 5.028322 5.012088 1.525835 3.860297 3.926271 3.072510 3.464550 3.007410 3.003931 5.601968 5.187562 4.407979 3.843323 0.967793 0.000000 3.797769 3.797772 4.181781 5.068515 2.882620 3.371380 6.396368 3.003195 6.241224 3.731622 3.289406 6.570708 6.227591 3.832906 6.070617 2.820744 3.045338 5.678904 5.001392 5.984985 5.527525 0.000000 2.943813 3.126083 3.493427 4.147588 1.924068 2.410041 5.692734 3.144995 5.457426 3.728644 3.367591 5.655017 5.328524 3.579384 5.127216 2.989004 2.907561 4.908202 4.290684 5.304641 4.851989 0.972914 0.000000 3.747979 3.440530 4.058579 5.096618 3.190594 3.776994 7.148891 2.200569 6.515507 3.321980 3.100727 6.920059 6.701679 3.505266 6.334201 1.885487 2.247529 6.381240 5.699953 6.211208 5.622657 0.978924 1.519728 0.000000 4.607520 5.154281 4.121422 5.833745 3.880235 4.646958 5.986725 3.591871 5.387247 2.809831 1.844711 6.413799 6.106359 3.112092 6.236200 4.159060 4.522740 5.503646 4.550495 4.777073 4.541909 2.813274 3.017919 3.158735 0.000000 4.299634 4.692161 4.101948 5.580142 3.443700 4.147669 6.039516 3.242489 5.684682 3.001801 2.169813 6.468272 6.122381 3.271148 6.182113 3.603873 3.972863 5.475014 4.590884 5.199315 4.883308 1.858633 2.199677 2.300589 0.980743 0.000000 4.309120 5.099918 3.835360 5.387323 3.494173 4.202908 5.059477 4.124993 4.610831 3.214024 2.324124 5.616877 5.259903 3.241139 5.534326 4.670162 4.855426 4.609899 3.639021 4.053638 3.959572 3.131340 3.060082 3.623645 0.971895 1.539098 0.000000 3.615235 4.817873 3.347480 4.232266 2.765256 3.226101 3.239730 5.123135 3.008227 4.270062 3.681289 3.751981 3.297580 3.817636 3.832548 5.548804 5.376868 2.720673 1.754770 2.778517 2.968458 3.997027 3.429029 4.580175 2.938381 3.157325 2.013962 0.000000 3.595759 4.873743 3.031416 4.075378 3.127029 3.657825 3.506474 5.263510 2.197644 4.175581 3.727675 3.336190 3.092048 3.605988 3.502275 5.790038 5.560414 3.017022 2.162919 1.826954 2.137624 4.670524 4.068485 5.112449 3.385421 3.758349 2.507689 0.983856 0.000000 2.730150 3.891712 2.709812 3.463027 1.787269 2.326601 3.605000 4.483385 3.109590 3.921962 3.452864 3.597975 3.212669 3.396921 3.433159 4.799171 4.539002 2.871618 2.051912 2.990585 2.902394 3.340273 2.632548 3.869292 2.956657 2.912252 2.215983 0.982176 1.539831 0.000000 BF3H17O9(1-) 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 0 0 211.8008096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;22;25;28;6;7;8;9;11;13;14;15;17;19;21;23;24;26;27;29;30/rA:30nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0224,-1.5088,-.209;-1.1463,-2.3184,-.4616;-.1419,-.9675,1.1105;1.1566,-2.2998,-.28;.0709,-.3904,-1.1461;.585,-.6436,-1.9181;3.9502,2.0656,-1.5584;-3.4373,-.3796,.5935;2.7444,.0391,1.6313;-2.481,.569,1.8653;-2.2462,1.4143,1.4247;3.5905,-.8626,.2487;3.6006,-.1788,-.4468;-1.67,.0445,1.8082;2.8746,-1.4692,.003;-3.6966,-.8673,-.2172;-3.0068,-1.5407,-.3076;3.3069,1.3537,-1.5115;2.5306,1.7209,-1.0221;2.0774,.528,2.1579;1.3152,-.0684,2.1547;-2.3522,1.0094,-1.838;-1.5231,.5104,-1.7377;-3.0044,.4169,-1.4117;-1.7076,2.7521,.2743;-1.9989,2.2949,-.543;-.7373,2.7178,.2306;1.095,1.9249,-.0339;1.4295,1.6103,.8362;.665,1.1257,-.4095; 0.6025540 0.3678340 0.3137343 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= 388 RedAO= T EigKep= 1.68D-04 NBF= 388 NBsUse= 388 1.00D-06 EigRej= -1.00D+00 NBFU= 388 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= 400 399 399 400 400 MxSgAt= 30 MxSgA2= 30. 1 Closed 1 1 1 -1012.50045466283 -1012.50045466 1 1.009396001149e+03 -4.562072120908e+03 1.467608539709e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1415248064 LenY= 1415086822 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. PT87S Tue Aug 1 18:55:38 2023 -24.54243 -24.53779 -24.53090 -19.03602 -19.02549 -19.01907 -19.01549 -19.01285 -18.99800 -18.99771 -18.99585 -18.99566 -6.75173 -1.09170 -1.05119 -1.04527 -0.92948 -0.91603 -0.91007 -0.90403 -0.89878 -0.89353 -0.88550 -0.88518 -0.87287 -0.47437 -0.45029 -0.43796 -0.42696 -0.42353 -0.41945 -0.41306 -0.40592 -0.40443 -0.40020 -0.39035 -0.38856 -0.33686 -0.32580 -0.31824 -0.30908 -0.30259 -0.29658 -0.29372 -0.29260 -0.28491 -0.27956 -0.27657 -0.26974 -0.26278 -0.25931 -0.25164 -0.23323 -0.22388 -0.21760 -0.21427 -0.20454 -0.20175 -0.19553 -0.19233 -0.18561 0.08707 0.11704 0.12341 0.13018 0.14307 0.17594 0.18153 0.18520 0.19143 0.20813 0.21772 0.22405 0.22703 0.23420 0.23553 0.23979 0.25230 0.25451 0.25940 0.26765 0.27457 0.27680 0.28271 0.28574 0.29508 0.30245 0.30371 0.31202 0.31291 0.31832 0.32843 0.33147 0.33434 0.33950 0.34249 0.35082 0.35381 0.35741 0.36182 0.36424 0.36855 0.37304 0.37382 0.37933 0.38476 0.38814 0.38977 0.39395 0.39554 0.40957 0.41161 0.42073 0.42564 0.42988 0.44457 0.45907 0.46650 0.46899 0.48203 0.49254 0.51346 0.52506 0.53346 0.54591 0.57093 0.58197 0.58597 0.59966 0.60639 0.61433 0.62504 0.63865 0.64013 0.64358 0.65005 0.65216 0.66040 0.66715 0.67264 0.67967 0.69656 0.70427 0.71357 0.71821 0.72728 0.74926 0.75221 0.75753 0.76255 0.76946 0.77970 0.79333 0.83822 0.89541 1.04722 1.05755 1.06428 1.07225 1.08233 1.08720 1.09252 1.10575 1.11183 1.11666 1.12817 1.13008 1.13611 1.14602 1.15433 1.15668 1.16367 1.17209 1.17904 1.18249 1.19241 1.21305 1.21834 1.22699 1.24404 1.25446 1.27127 1.29801 1.30519 1.34342 1.34911 1.36400 1.38686 1.39159 1.39442 1.41419 1.41993 1.42797 1.43624 1.44471 1.45606 1.46466 1.48092 1.48584 1.49562 1.49819 1.50822 1.51049 1.52028 1.52475 1.53285 1.54390 1.55316 1.55936 1.57856 1.58933 1.59391 1.60308 1.61231 1.61640 1.61938 1.62742 1.63800 1.65565 1.66565 1.67856 1.68525 1.70579 1.71090 1.74942 1.76331 1.77059 1.78938 1.79260 1.81502 1.83229 1.84593 1.86623 1.87857 1.88814 1.89540 1.91267 1.94715 1.96316 2.09366 2.11754 2.19399 2.21892 2.23869 2.25905 2.27604 2.30034 2.30471 2.31448 2.33059 2.35698 2.36505 2.39034 2.39910 2.43489 2.45723 2.47290 2.47620 2.48926 2.52186 2.55025 2.57150 2.62050 2.72713 2.74249 2.76468 2.77288 2.78285 2.79479 2.80821 2.81805 2.84054 2.84768 2.86297 2.86816 2.89166 2.91245 2.93007 2.93438 3.16402 3.16776 3.20136 3.21158 3.22227 3.23114 3.23592 3.24584 3.24775 3.25101 3.26399 3.26551 3.27031 3.27463 3.28048 3.29707 3.31335 3.33170 3.33337 3.40139 3.44055 3.45468 3.46004 3.46249 3.47495 3.48659 3.49842 3.63084 3.79189 3.79517 3.80201 3.82793 3.83435 3.85261 3.88160 3.88604 3.90342 3.91596 3.93346 3.94138 3.94865 3.96178 3.98314 3.99932 4.01262 4.01551 4.02671 4.03156 4.04448 4.04955 4.05661 4.06620 4.07863 4.08382 4.19770 4.33354 4.34973 4.46091 4.76724 4.77223 5.08515 5.13270 5.14265 5.14747 5.16225 5.17616 5.21138 5.27114 5.28738 5.41350 5.45090 5.47739 5.50592 5.53005 5.54029 5.56409 5.57825 5.60496 5.67672 5.74140 5.76651 5.77758 5.78445 5.79980 5.81008 5.83208 5.87304 6.44014 6.45182 6.51166 6.52917 6.55413 6.56982 6.64692 6.74873 6.78058 14.66329 49.96562 50.01799 50.02326 50.02954 50.03740 50.04761 50.05144 50.07125 50.08260 66.94586 66.95552 66.97475 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 29 30 B F F F O H H H H O H O H H H O H O H O H O H H O H H O H H 1.065917 -0.397645 -0.543264 -0.431920 -0.891754 0.295681 0.261163 0.368443 0.363987 -0.668758 0.386214 -0.653471 0.363572 0.274663 0.283089 -0.681771 0.288711 -0.674336 0.372901 -0.661992 0.289618 -0.692429 0.327055 0.362715 -0.717058 0.356266 0.349625 -0.812033 0.405089 0.411725 -1.00000 4.5296 -0.0254 -2.1387 5.0092 -127.1024 -105.6903 -99.5656 11.0196 -6.5104 -2.0383 -16.3163 5.0958 11.2205 11.0196 -6.5104 -2.0383 62.6692 -18.0644 -16.5125 36.0296 31.4422 -19.4430 13.2478 -25.3801 -3.0525 -6.1260 -3112.5057 -1395.4394 -885.5910 140.7803 -90.2996 123.1817 -33.4282 -34.2616 2.6238 -652.7461 -687.5006 -337.2877 -34.7560 -26.6420 18.4362 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CIBELES2-166 LAMSABHI 01-Aug-2023 0 Wavefunction acidity/ CONF15 gas -1 1 Version=EM64L-G16RevC.01 State=1-A HF=-1012.5004547 RMSD=2.756e-09 Dipole=1.2396775,-0.5671655,-1.42319 Quadrupole=-5.2833515,-3.9125907,9.1959422,10.8451275,1.2125381,-5.0416005 PG=C01 [X(B1F3H17O9)] 0 -0.6335688878 -1.3039320228 -0.1203715733 0 -1.9941948793 -1.6119678054 0.069500391 0 -0.0791765886 -0.9082674287 1.1384275576 0 0.0528786791 -2.4582423892 -0.5863213033 0 -0.4461429962 -0.1997023854 -1.0601739478 0 -0.3646635498 -0.5351224525 -1.957620862 0 3.6829998008 0.6952191228 -2.904212783 0 -2.8615594744 0.8992798261 1.8193411035 0 2.962031964 -1.0935440354 0.5620234792 0 -1.2439304592 1.282738787 2.6367320048 0 -0.8698187611 2.0271235026 2.117333429 0 2.8725611769 -2.0810210563 -1.005533587 0 2.9050048476 -1.3749458547 -1.6777435461 0 -0.7671023196 0.5077076365 2.3079307014 0 1.9421799618 -2.3517485824 -0.9611458642 0 -3.5470992879 0.6346852141 1.169531077 0 -3.2427038054 -0.2297502502 0.8573414044 0 2.8745719535 0.2677992604 -2.6098264934 0 2.5151366053 0.8362813987 -1.8855466828 0 2.7555135055 -0.4567996359 1.2784963655 0 1.872051391 -0.7284434745 1.5654257244 0 -2.2288826448 2.0582075115 -0.8780251229 0 -1.6730793671 1.2823964672 -1.0671330028 0 -2.8698830888 1.7017792659 -0.2296653783 0 -0.288915441 3.1949145148 0.812813397 0 -0.9926294927 2.9710061458 0.1674382244 0 0.516425944 2.8128759692 0.4254489238 0 1.6972124066 1.4393191355 -0.4549656312 0 2.1612915752 0.9285179065 0.2462376441 0 0.8944845176 0.9006951824 -0.6286938704 Gaussian 16 1-Aug-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 84 C1[X(BF3H17O9)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read pop=nbo7read 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 0 0 211.8008096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;22;25;28;6;7;8;9;11;13;14;15;17;19;21;23;24;26;27;29;30/rA:30nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.6336,-1.3039,-.1204;-1.9942,-1.612,.0695;-.0792,-.9083,1.1384;.0529,-2.4582,-.5863;-.4461,-.1997,-1.0602;-.3647,-.5351,-1.9576;3.683,.6952,-2.9042;-2.8616,.8993,1.8193;2.962,-1.0935,.562;-1.2439,1.2827,2.6367;-.8698,2.0271,2.1173;2.8726,-2.081,-1.0055;2.905,-1.3749,-1.6777;-.7671,.5077,2.3079;1.9422,-2.3517,-.9611;-3.5471,.6347,1.1695;-3.2427,-.2298,.8573;2.8746,.2678,-2.6098;2.5151,.8363,-1.8855;2.7555,-.4568,1.2785;1.8721,-.7284,1.5654;-2.2289,2.0582,-.878;-1.6731,1.2824,-1.0671;-2.8699,1.7018,-.2297;-.2889,3.1949,.8128;-.9926,2.971,.1674;.5164,2.8129,.4254;1.6972,1.4393,-.455;2.1613,.9285,.2462;.8945,.9007,-.6287; oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/acidity/ #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read 1/29=2,38=1,163=2,172=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=1,40=2,113=1,114=1,124=2103/1,12 99/5=1,9=1/99 Wavefunction acidity/ CONF15 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 29 30 11 19 19 19 16 1 1 1 1 16 1 16 1 1 1 16 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 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 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 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 401 A 388 A 388 604 401 61 61 1072.6010903827 30 30 30 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) -0.0339649955 0.000000 1.407921 0.000000 1.431250 2.303279 0.000000 1.421532 2.310150 2.322632 0.000000 1.462081 2.380572 2.338927 2.361051 0.000000 2.009692 2.814994 3.131494 2.398582 0.961539 0.000000 5.511728 6.811507 5.750485 5.338045 4.609901 4.335130 0.000000 3.685182 3.181294 3.387112 5.055108 3.915815 4.749467 8.073714 0.000000 3.665825 5.007547 3.100890 3.412370 3.878935 4.210385 3.966644 6.282230 0.000000 3.829494 3.941180 2.898633 5.105363 4.062168 5.018546 7.437869 1.852537 5.257495 0.000000 4.019834 4.324445 3.193727 5.317859 3.903179 4.839994 6.907825 2.308216 5.180795 0.981755 0.000000 3.698693 5.006099 3.832059 2.875525 3.815251 3.711589 3.459668 7.052819 1.854818 6.444104 6.374524 0.000000 3.866776 5.206842 4.129643 3.240271 3.604550 3.387383 2.528851 7.117230 2.258096 6.549172 6.342395 0.975429 0.000000 3.032577 3.318034 1.961113 4.224444 3.456526 4.409578 6.856020 2.186047 4.417991 0.967548 1.534765 5.561269 5.737103 0.000000 2.905048 4.135765 3.252342 1.929066 3.216395 3.100745 4.011231 6.432434 2.223336 6.025406 6.046395 0.969986 1.547478 5.118941 0.000000 3.729711 2.944322 3.795808 5.060540 3.909439 4.612529 8.298999 0.980932 6.761999 2.806642 3.163075 7.301918 7.333160 3.006736 6.602330 0.000000 2.986197 2.022373 3.247661 4.232163 3.390947 4.037373 7.935378 1.531478 6.271531 3.073914 3.508795 6.655372 6.747774 2.962542 5.890059 0.968178 0.000000 4.579823 5.866618 4.914995 4.414502 3.694202 3.400397 0.960680 7.274579 3.452758 6.746743 6.281857 2.844419 1.888999 6.124025 3.232574 7.460296 7.049104 0.000000 4.196511 5.490920 4.349521 4.313304 3.244022 3.190485 1.556112 6.529856 3.148736 5.897535 5.375786 3.068033 2.254929 5.335382 3.368432 6.791527 6.466265 0.988406 0.000000 3.763023 5.035456 2.873832 3.845459 3.973170 4.496009 4.436489 5.803703 0.980524 4.567970 4.473987 2.805100 3.099144 3.794579 3.044395 6.397354 6.017270 3.957054 3.426515 0.000000 3.074286 4.238663 2.005481 3.306298 3.542226 4.177574 5.028322 5.012088 1.525835 3.860297 3.926271 3.072510 3.464550 3.007410 3.003931 5.601968 5.187562 4.407979 3.843323 0.967793 0.000000 3.797769 3.797772 4.181781 5.068515 2.882620 3.371380 6.396368 3.003195 6.241224 3.731622 3.289406 6.570708 6.227591 3.832906 6.070617 2.820744 3.045338 5.678904 5.001392 5.984985 5.527525 0.000000 2.943813 3.126083 3.493427 4.147588 1.924068 2.410041 5.692734 3.144995 5.457426 3.728644 3.367591 5.655017 5.328524 3.579384 5.127216 2.989004 2.907561 4.908202 4.290684 5.304641 4.851989 0.972914 0.000000 3.747979 3.440530 4.058579 5.096618 3.190594 3.776994 7.148891 2.200569 6.515507 3.321980 3.100727 6.920059 6.701679 3.505266 6.334201 1.885487 2.247529 6.381240 5.699953 6.211208 5.622657 0.978924 1.519728 0.000000 4.607520 5.154281 4.121422 5.833745 3.880235 4.646958 5.986725 3.591871 5.387247 2.809831 1.844711 6.413799 6.106359 3.112092 6.236200 4.159060 4.522740 5.503646 4.550495 4.777073 4.541909 2.813274 3.017919 3.158735 0.000000 4.299634 4.692161 4.101948 5.580142 3.443700 4.147669 6.039516 3.242489 5.684682 3.001801 2.169813 6.468272 6.122381 3.271148 6.182113 3.603873 3.972863 5.475014 4.590884 5.199315 4.883308 1.858633 2.199677 2.300589 0.980743 0.000000 4.309120 5.099918 3.835360 5.387323 3.494173 4.202908 5.059477 4.124993 4.610831 3.214024 2.324124 5.616877 5.259903 3.241139 5.534326 4.670162 4.855426 4.609899 3.639021 4.053638 3.959572 3.131340 3.060082 3.623645 0.971895 1.539098 0.000000 3.615235 4.817873 3.347480 4.232266 2.765256 3.226101 3.239730 5.123135 3.008227 4.270062 3.681289 3.751981 3.297580 3.817636 3.832548 5.548804 5.376868 2.720673 1.754770 2.778517 2.968458 3.997027 3.429029 4.580175 2.938381 3.157325 2.013962 0.000000 3.595759 4.873743 3.031416 4.075378 3.127029 3.657825 3.506474 5.263510 2.197644 4.175581 3.727675 3.336190 3.092048 3.605988 3.502275 5.790038 5.560414 3.017022 2.162919 1.826954 2.137624 4.670524 4.068485 5.112449 3.385421 3.758349 2.507689 0.983856 0.000000 2.730150 3.891712 2.709812 3.463027 1.787269 2.326601 3.605000 4.483385 3.109590 3.921962 3.452864 3.597975 3.212669 3.396921 3.433159 4.799171 4.539002 2.871618 2.051912 2.990585 2.902394 3.340273 2.632548 3.869292 2.956657 2.912252 2.215983 0.982176 1.539831 0.000000 BF3H17O9(1-) 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 0 0 211.8008096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;22;25;28;6;7;8;9;11;13;14;15;17;19;21;23;24;26;27;29;30/rA:30nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0224,-1.5088,-.209;-1.1463,-2.3184,-.4616;-.1419,-.9675,1.1105;1.1566,-2.2998,-.28;.0709,-.3904,-1.1461;.585,-.6436,-1.9181;3.9502,2.0656,-1.5584;-3.4373,-.3796,.5935;2.7444,.0391,1.6313;-2.481,.569,1.8653;-2.2462,1.4143,1.4247;3.5905,-.8626,.2487;3.6006,-.1788,-.4468;-1.67,.0445,1.8082;2.8746,-1.4692,.003;-3.6966,-.8673,-.2172;-3.0068,-1.5407,-.3076;3.3069,1.3537,-1.5115;2.5306,1.7209,-1.0221;2.0774,.528,2.1579;1.3152,-.0684,2.1547;-2.3522,1.0094,-1.838;-1.5231,.5104,-1.7377;-3.0044,.4169,-1.4117;-1.7076,2.7521,.2743;-1.9989,2.2949,-.543;-.7373,2.7178,.2306;1.095,1.9249,-.0339;1.4295,1.6103,.8362;.665,1.1257,-.4095; 0.6025540 0.3678340 0.3137343 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= 388 RedAO= T EigKep= 1.68D-04 NBF= 388 NBsUse= 388 1.00D-06 EigRej= -1.00D+00 NBFU= 388 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= 400 399 399 400 400 MxSgAt= 30 MxSgA2= 30. 1 Closed 1 1 1 -1012.50045466284 -1012.50045466 1 1.009396001149e+03 -4.562072120908e+03 1.467608539709e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1415248064 LenY= 1415086822 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. PT4134S Tue Aug 1 19:05:28 2023 -24.54243 -24.53779 -24.53090 -19.03602 -19.02549 -19.01907 -19.01549 -19.01285 -18.99800 -18.99771 -18.99585 -18.99566 -6.75173 -1.09170 -1.05119 -1.04527 -0.92948 -0.91603 -0.91007 -0.90403 -0.89878 -0.89353 -0.88550 -0.88518 -0.87287 -0.47437 -0.45029 -0.43796 -0.42696 -0.42353 -0.41945 -0.41306 -0.40592 -0.40443 -0.40020 -0.39035 -0.38856 -0.33686 -0.32580 -0.31824 -0.30908 -0.30259 -0.29658 -0.29372 -0.29260 -0.28491 -0.27956 -0.27657 -0.26974 -0.26278 -0.25931 -0.25164 -0.23323 -0.22388 -0.21760 -0.21427 -0.20454 -0.20175 -0.19553 -0.19233 -0.18561 0.08707 0.11704 0.12341 0.13018 0.14307 0.17594 0.18153 0.18520 0.19143 0.20813 0.21772 0.22405 0.22703 0.23420 0.23553 0.23979 0.25230 0.25451 0.25940 0.26765 0.27457 0.27680 0.28271 0.28574 0.29508 0.30245 0.30371 0.31202 0.31291 0.31832 0.32843 0.33147 0.33434 0.33950 0.34249 0.35082 0.35381 0.35741 0.36182 0.36424 0.36855 0.37304 0.37382 0.37933 0.38476 0.38814 0.38977 0.39395 0.39554 0.40957 0.41161 0.42073 0.42564 0.42988 0.44457 0.45907 0.46650 0.46899 0.48203 0.49254 0.51346 0.52506 0.53346 0.54591 0.57093 0.58197 0.58597 0.59966 0.60639 0.61433 0.62504 0.63865 0.64013 0.64358 0.65005 0.65216 0.66040 0.66715 0.67264 0.67967 0.69656 0.70427 0.71357 0.71821 0.72728 0.74926 0.75221 0.75753 0.76255 0.76946 0.77970 0.79333 0.83822 0.89541 1.04722 1.05755 1.06428 1.07225 1.08233 1.08720 1.09252 1.10575 1.11183 1.11666 1.12817 1.13008 1.13611 1.14602 1.15433 1.15668 1.16367 1.17209 1.17904 1.18249 1.19241 1.21305 1.21834 1.22699 1.24404 1.25446 1.27127 1.29801 1.30519 1.34342 1.34911 1.36400 1.38686 1.39159 1.39442 1.41419 1.41993 1.42797 1.43624 1.44471 1.45606 1.46466 1.48092 1.48584 1.49562 1.49819 1.50822 1.51049 1.52028 1.52475 1.53285 1.54390 1.55316 1.55936 1.57856 1.58933 1.59391 1.60308 1.61231 1.61640 1.61938 1.62742 1.63800 1.65565 1.66565 1.67856 1.68525 1.70579 1.71090 1.74942 1.76331 1.77059 1.78938 1.79260 1.81502 1.83229 1.84593 1.86623 1.87857 1.88814 1.89540 1.91267 1.94715 1.96316 2.09366 2.11754 2.19399 2.21892 2.23869 2.25905 2.27604 2.30034 2.30471 2.31448 2.33059 2.35698 2.36505 2.39034 2.39910 2.43489 2.45723 2.47290 2.47620 2.48926 2.52186 2.55025 2.57150 2.62050 2.72713 2.74249 2.76468 2.77288 2.78285 2.79479 2.80821 2.81805 2.84054 2.84768 2.86297 2.86816 2.89166 2.91245 2.93007 2.93438 3.16402 3.16776 3.20136 3.21158 3.22227 3.23114 3.23592 3.24584 3.24775 3.25101 3.26399 3.26551 3.27031 3.27463 3.28048 3.29707 3.31335 3.33170 3.33337 3.40139 3.44055 3.45468 3.46004 3.46249 3.47495 3.48659 3.49842 3.63084 3.79189 3.79517 3.80201 3.82793 3.83435 3.85261 3.88160 3.88604 3.90342 3.91596 3.93346 3.94138 3.94865 3.96178 3.98314 3.99932 4.01262 4.01551 4.02671 4.03156 4.04448 4.04955 4.05661 4.06620 4.07863 4.08382 4.19770 4.33354 4.34973 4.46091 4.76724 4.77223 5.08515 5.13270 5.14265 5.14747 5.16225 5.17616 5.21138 5.27114 5.28738 5.41350 5.45090 5.47739 5.50592 5.53005 5.54029 5.56409 5.57825 5.60496 5.67672 5.74140 5.76651 5.77758 5.78445 5.79980 5.81008 5.83208 5.87304 6.44014 6.45182 6.51166 6.52917 6.55413 6.56982 6.64692 6.74873 6.78058 14.66329 49.96562 50.01799 50.02326 50.02954 50.03740 50.04761 50.05144 50.07125 50.08260 66.94586 66.95552 66.97475 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 29 30 B F F F O H H H H O H O H H H O H O H O H O H H O H H O H H 1.065917 -0.397645 -0.543264 -0.431920 -0.891754 0.295681 0.261163 0.368443 0.363987 -0.668758 0.386214 -0.653471 0.363572 0.274663 0.283089 -0.681771 0.288711 -0.674336 0.372901 -0.661992 0.289618 -0.692429 0.327055 0.362715 -0.717058 0.356266 0.349625 -0.812033 0.405089 0.411725 -1.00000 4.5296 -0.0254 -2.1387 5.0092 -127.1024 -105.6903 -99.5656 11.0196 -6.5104 -2.0383 -16.3163 5.0958 11.2205 11.0196 -6.5104 -2.0383 62.6692 -18.0644 -16.5125 36.0296 31.4422 -19.4430 13.2478 -25.3801 -3.0525 -6.1260 -3112.5057 -1395.4394 -885.5910 140.7803 -90.2996 123.1817 -33.4282 -34.2616 2.6238 -652.7461 -687.5006 -337.2877 -34.7560 -26.6420 18.4362 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CIBELES2-166 LAMSABHI 01-Aug-2023 0 Wavefunction acidity/ CONF15 gas -1 1 Version=EM64L-G16RevC.01 State=1-A HF=-1012.5004547 RMSD=2.756e-09 Dipole=1.2396775,-0.5671655,-1.42319 Quadrupole=-5.2833515,-3.9125907,9.1959422,10.8451275,1.2125381,-5.0416005 PG=C01 [X(B1F3H17O9)] 0 -0.6335688878 -1.3039320228 -0.1203715733 0 -1.9941948793 -1.6119678054 0.069500391 0 -0.0791765886 -0.9082674287 1.1384275576 0 0.0528786791 -2.4582423892 -0.5863213033 0 -0.4461429962 -0.1997023854 -1.0601739478 0 -0.3646635498 -0.5351224525 -1.957620862 0 3.6829998008 0.6952191228 -2.904212783 0 -2.8615594744 0.8992798261 1.8193411035 0 2.962031964 -1.0935440354 0.5620234792 0 -1.2439304592 1.282738787 2.6367320048 0 -0.8698187611 2.0271235026 2.117333429 0 2.8725611769 -2.0810210563 -1.005533587 0 2.9050048476 -1.3749458547 -1.6777435461 0 -0.7671023196 0.5077076365 2.3079307014 0 1.9421799618 -2.3517485824 -0.9611458642 0 -3.5470992879 0.6346852141 1.169531077 0 -3.2427038054 -0.2297502502 0.8573414044 0 2.8745719535 0.2677992604 -2.6098264934 0 2.5151366053 0.8362813987 -1.8855466828 0 2.7555135055 -0.4567996359 1.2784963655 0 1.872051391 -0.7284434745 1.5654257244 0 -2.2288826448 2.0582075115 -0.8780251229 0 -1.6730793671 1.2823964672 -1.0671330028 0 -2.8698830888 1.7017792659 -0.2296653783 0 -0.288915441 3.1949145148 0.812813397 0 -0.9926294927 2.9710061458 0.1674382244 0 0.516425944 2.8128759692 0.4254489238 0 1.6972124066 1.4393191355 -0.4549656312 0 2.1612915752 0.9285179065 0.2462376441 0 0.8944845176 0.9006951824 -0.6286938704 Gaussian 16 1-Aug-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 84 C1[X(BF3H17O9)] 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 0 0 211.8008096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;22;25;28;6;7;8;9;11;13;14;15;17;19;21;23;24;26;27;29;30/rA:30nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.6336,-1.3039,-.1204;-1.9942,-1.612,.0695;-.0792,-.9083,1.1384;.0529,-2.4582,-.5863;-.4461,-.1997,-1.0602;-.3647,-.5351,-1.9576;3.683,.6952,-2.9042;-2.8616,.8993,1.8193;2.962,-1.0935,.562;-1.2439,1.2827,2.6367;-.8698,2.0271,2.1173;2.8726,-2.081,-1.0055;2.905,-1.3749,-1.6777;-.7671,.5077,2.3079;1.9422,-2.3517,-.9611;-3.5471,.6347,1.1695;-3.2427,-.2298,.8573;2.8746,.2678,-2.6098;2.5151,.8363,-1.8855;2.7555,-.4568,1.2785;1.8721,-.7284,1.5654;-2.2289,2.0582,-.878;-1.6731,1.2824,-1.0671;-2.8699,1.7018,-.2297;-.2889,3.1949,.8128;-.9926,2.971,.1674;.5164,2.8129,.4254;1.6972,1.4393,-.455;2.1613,.9285,.2462;.8945,.9007,-.6287; oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/acidity/ #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 acidity/ CONF15 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 29 30 11 19 19 19 16 1 1 1 1 16 1 16 1 1 1 16 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 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 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 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 738 A 660 A 660 941 738 61 61 1072.6010903827 30 30 30 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) -0.0339649955 0.000000 1.407921 0.000000 1.431250 2.303279 0.000000 1.421532 2.310150 2.322632 0.000000 1.462081 2.380572 2.338927 2.361051 0.000000 2.009692 2.814994 3.131494 2.398582 0.961539 0.000000 5.511728 6.811507 5.750485 5.338045 4.609901 4.335130 0.000000 3.685182 3.181294 3.387112 5.055108 3.915815 4.749467 8.073714 0.000000 3.665825 5.007547 3.100890 3.412370 3.878935 4.210385 3.966644 6.282230 0.000000 3.829494 3.941180 2.898633 5.105363 4.062168 5.018546 7.437869 1.852537 5.257495 0.000000 4.019834 4.324445 3.193727 5.317859 3.903179 4.839994 6.907825 2.308216 5.180795 0.981755 0.000000 3.698693 5.006099 3.832059 2.875525 3.815251 3.711589 3.459668 7.052819 1.854818 6.444104 6.374524 0.000000 3.866776 5.206842 4.129643 3.240271 3.604550 3.387383 2.528851 7.117230 2.258096 6.549172 6.342395 0.975429 0.000000 3.032577 3.318034 1.961113 4.224444 3.456526 4.409578 6.856020 2.186047 4.417991 0.967548 1.534765 5.561269 5.737103 0.000000 2.905048 4.135765 3.252342 1.929066 3.216395 3.100745 4.011231 6.432434 2.223336 6.025406 6.046395 0.969986 1.547478 5.118941 0.000000 3.729711 2.944322 3.795808 5.060540 3.909439 4.612529 8.298999 0.980932 6.761999 2.806642 3.163075 7.301918 7.333160 3.006736 6.602330 0.000000 2.986197 2.022373 3.247661 4.232163 3.390947 4.037373 7.935378 1.531478 6.271531 3.073914 3.508795 6.655372 6.747774 2.962542 5.890059 0.968178 0.000000 4.579823 5.866618 4.914995 4.414502 3.694202 3.400397 0.960680 7.274579 3.452758 6.746743 6.281857 2.844419 1.888999 6.124025 3.232574 7.460296 7.049104 0.000000 4.196511 5.490920 4.349521 4.313304 3.244022 3.190485 1.556112 6.529856 3.148736 5.897535 5.375786 3.068033 2.254929 5.335382 3.368432 6.791527 6.466265 0.988406 0.000000 3.763023 5.035456 2.873832 3.845459 3.973170 4.496009 4.436489 5.803703 0.980524 4.567970 4.473987 2.805100 3.099144 3.794579 3.044395 6.397354 6.017270 3.957054 3.426515 0.000000 3.074286 4.238663 2.005481 3.306298 3.542226 4.177574 5.028322 5.012088 1.525835 3.860297 3.926271 3.072510 3.464550 3.007410 3.003931 5.601968 5.187562 4.407979 3.843323 0.967793 0.000000 3.797769 3.797772 4.181781 5.068515 2.882620 3.371380 6.396368 3.003195 6.241224 3.731622 3.289406 6.570708 6.227591 3.832906 6.070617 2.820744 3.045338 5.678904 5.001392 5.984985 5.527525 0.000000 2.943813 3.126083 3.493427 4.147588 1.924068 2.410041 5.692734 3.144995 5.457426 3.728644 3.367591 5.655017 5.328524 3.579384 5.127216 2.989004 2.907561 4.908202 4.290684 5.304641 4.851989 0.972914 0.000000 3.747979 3.440530 4.058579 5.096618 3.190594 3.776994 7.148891 2.200569 6.515507 3.321980 3.100727 6.920059 6.701679 3.505266 6.334201 1.885487 2.247529 6.381240 5.699953 6.211208 5.622657 0.978924 1.519728 0.000000 4.607520 5.154281 4.121422 5.833745 3.880235 4.646958 5.986725 3.591871 5.387247 2.809831 1.844711 6.413799 6.106359 3.112092 6.236200 4.159060 4.522740 5.503646 4.550495 4.777073 4.541909 2.813274 3.017919 3.158735 0.000000 4.299634 4.692161 4.101948 5.580142 3.443700 4.147669 6.039516 3.242489 5.684682 3.001801 2.169813 6.468272 6.122381 3.271148 6.182113 3.603873 3.972863 5.475014 4.590884 5.199315 4.883308 1.858633 2.199677 2.300589 0.980743 0.000000 4.309120 5.099918 3.835360 5.387323 3.494173 4.202908 5.059477 4.124993 4.610831 3.214024 2.324124 5.616877 5.259903 3.241139 5.534326 4.670162 4.855426 4.609899 3.639021 4.053638 3.959572 3.131340 3.060082 3.623645 0.971895 1.539098 0.000000 3.615235 4.817873 3.347480 4.232266 2.765256 3.226101 3.239730 5.123135 3.008227 4.270062 3.681289 3.751981 3.297580 3.817636 3.832548 5.548804 5.376868 2.720673 1.754770 2.778517 2.968458 3.997027 3.429029 4.580175 2.938381 3.157325 2.013962 0.000000 3.595759 4.873743 3.031416 4.075378 3.127029 3.657825 3.506474 5.263510 2.197644 4.175581 3.727675 3.336190 3.092048 3.605988 3.502275 5.790038 5.560414 3.017022 2.162919 1.826954 2.137624 4.670524 4.068485 5.112449 3.385421 3.758349 2.507689 0.983856 0.000000 2.730150 3.891712 2.709812 3.463027 1.787269 2.326601 3.605000 4.483385 3.109590 3.921962 3.452864 3.597975 3.212669 3.396921 3.433159 4.799171 4.539002 2.871618 2.051912 2.990585 2.902394 3.340273 2.632548 3.869292 2.956657 2.912252 2.215983 0.982176 1.539831 0.000000 BF3H17O9(1-) 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 0 0 211.8008096 AuxInfo=1/0/N:1;2;3;4;5;10;12;16;18;20;22;25;28;6;7;8;9;11;13;14;15;17;19;21;23;24;26;27;29;30/rA:30nB0F0F0F0O0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0O0H0H0O0H0H0O0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0224,-1.5088,-.209;-1.1463,-2.3184,-.4616;-.1419,-.9675,1.1105;1.1566,-2.2998,-.28;.0709,-.3904,-1.1461;.585,-.6436,-1.9181;3.9502,2.0656,-1.5584;-3.4373,-.3796,.5935;2.7444,.0391,1.6313;-2.481,.569,1.8653;-2.2462,1.4143,1.4247;3.5905,-.8626,.2487;3.6006,-.1788,-.4468;-1.67,.0445,1.8082;2.8746,-1.4692,.003;-3.6966,-.8673,-.2172;-3.0068,-1.5407,-.3076;3.3069,1.3537,-1.5115;2.5306,1.7209,-1.0221;2.0774,.528,2.1579;1.3152,-.0684,2.1547;-2.3522,1.0094,-1.838;-1.5231,.5104,-1.7377;-3.0044,.4169,-1.4117;-1.7076,2.7521,.2743;-1.9989,2.2949,-.543;-.7373,2.7178,.2306;1.095,1.9249,-.0339;1.4295,1.6103,.8362;.665,1.1257,-.4095; 0.6025540 0.3678340 0.3137343 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= 660 RedAO= T EigKep= 3.80D-05 NBF= 660 NBsUse= 660 1.00D-06 EigRej= -1.00D+00 NBFU= 660 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= 727 727 727 727 727 MxSgAt= 30 MxSgA2= 30. 1 Closed 1 1 1 -1012.50706614513 -1012.55098499828 -0.043918853156 -1012.55125374534 -0.000268747053 -1012.55168206869 -0.000428323350 -1012.55171140720 -0.000029338514 -1012.55171274137 -0.000001334175 -1012.55171285174 -0.000000110361 -1012.55171287239 -0.000000020652 -1012.55171287265 -0.000000000265 -1012.55171287267 -0.000000000019 -1012.55171287 10 1.009237115498e+03 -4.562476257071e+03 1.468120303313e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414475332 LenY= 1413929950 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. PT3011.400S Tue Aug 1 19:11:45 2023 -24.53691 -24.53310 -24.52635 -19.03325 -19.01943 -19.01521 -19.01302 -19.01039 -18.99587 -18.99583 -18.99419 -18.99338 -6.73832 -1.08487 -1.04500 -1.03943 -0.92498 -0.91031 -0.90546 -0.89889 -0.89498 -0.88913 -0.88165 -0.88158 -0.86924 -0.46747 -0.44589 -0.43262 -0.42224 -0.41874 -0.41480 -0.40899 -0.40233 -0.40025 -0.39654 -0.38509 -0.38292 -0.33228 -0.32337 -0.31426 -0.30504 -0.29983 -0.29466 -0.29180 -0.28985 -0.28203 -0.27757 -0.27511 -0.26747 -0.26076 -0.25645 -0.24764 -0.23098 -0.22026 -0.21431 -0.21159 -0.20262 -0.19987 -0.19416 -0.19084 -0.18437 0.08837 0.11736 0.12388 0.13011 0.14304 0.17591 0.18085 0.18500 0.19104 0.20750 0.21751 0.22314 0.22710 0.23251 0.23509 0.23814 0.24983 0.25440 0.25727 0.26630 0.27150 0.27391 0.28002 0.28317 0.29023 0.29834 0.30074 0.30894 0.31031 0.31537 0.32622 0.32685 0.33204 0.33562 0.33970 0.34453 0.35015 0.35175 0.35787 0.36181 0.36389 0.37048 0.37195 0.37382 0.37713 0.38136 0.38523 0.38834 0.39025 0.40048 0.40410 0.40651 0.41591 0.42157 0.43451 0.44396 0.45311 0.45851 0.47193 0.47945 0.49244 0.49787 0.50921 0.52012 0.53492 0.54285 0.54972 0.56313 0.57055 0.58532 0.59134 0.60016 0.60247 0.61658 0.61789 0.62369 0.62596 0.62982 0.63550 0.63852 0.64377 0.65757 0.67075 0.67598 0.68085 0.68876 0.69717 0.70173 0.70555 0.71785 0.72392 0.73189 0.73424 0.74215 0.75359 0.76397 0.77050 0.77783 0.78898 0.79797 0.80118 0.81695 0.82209 0.83007 0.84291 0.84832 0.85932 0.86666 0.86884 0.88207 0.88932 0.89833 0.91486 0.92205 0.92821 0.93948 0.94473 0.95175 0.97457 0.98049 0.99189 1.00555 1.01233 1.01907 1.02476 1.03796 1.04066 1.04696 1.05000 1.05411 1.06801 1.07256 1.07629 1.08584 1.09940 1.10052 1.10938 1.11489 1.11678 1.12234 1.13179 1.13808 1.14414 1.15005 1.15201 1.15733 1.16124 1.16739 1.17241 1.17660 1.18017 1.18652 1.19592 1.20300 1.20846 1.22141 1.22535 1.23030 1.23747 1.25050 1.25518 1.25894 1.26616 1.27614 1.28289 1.29341 1.29926 1.30182 1.30623 1.31619 1.32397 1.33033 1.34434 1.35067 1.35420 1.36269 1.37195 1.37982 1.38874 1.39294 1.40526 1.42225 1.42674 1.43522 1.43722 1.45273 1.46103 1.47178 1.48194 1.48575 1.48834 1.49518 1.50404 1.51305 1.52656 1.53262 1.54363 1.56302 1.56630 1.58147 1.58313 1.59295 1.60413 1.61087 1.62472 1.63123 1.63758 1.64098 1.64418 1.66237 1.67020 1.67274 1.68174 1.68498 1.71096 1.72605 1.73542 1.74410 1.76295 1.79750 1.80453 1.81987 1.82457 1.83149 1.84883 1.85844 1.86359 1.87813 1.88729 1.90458 1.93440 1.94356 1.95731 1.97856 2.00715 2.04135 2.05348 2.07460 2.09662 2.11373 2.12244 2.13767 2.16555 2.17615 2.18404 2.19497 2.20902 2.23342 2.23529 2.26435 2.27369 2.29961 2.31220 2.31455 2.33851 2.34506 2.35681 2.37051 2.39827 2.41200 2.42048 2.43813 2.51946 2.63576 2.64926 2.69331 2.78373 2.81291 2.82373 2.83489 2.84294 2.85422 2.86365 2.87049 2.87848 2.89369 2.89891 2.94399 2.95533 2.97802 2.98458 3.00230 3.02476 3.03371 3.08064 3.10717 3.12109 3.19285 3.23165 3.25329 3.26847 3.28103 3.28889 3.29861 3.32872 3.34656 3.36649 3.37218 3.39499 3.40491 3.42087 3.42201 3.43853 3.44176 3.46526 3.46781 3.48180 3.48793 3.51454 3.51826 3.53792 3.54305 3.54835 3.55764 3.56833 3.58620 3.58995 3.60056 3.60151 3.60928 3.62003 3.62095 3.63572 3.65100 3.66331 3.67592 3.68650 3.69205 3.70023 3.70738 3.74070 3.74843 3.86268 3.91149 3.92926 3.94105 3.99756 4.01069 4.02789 4.03992 4.07024 4.09412 4.12108 4.12570 4.20354 4.22264 4.23835 4.24699 4.25933 4.26767 4.28142 4.29798 4.31074 4.32507 4.33031 4.33802 4.34967 4.35640 4.35966 4.38041 4.40918 4.42320 4.43992 4.45142 4.46922 4.47487 4.49117 4.50408 4.53871 4.73584 4.76152 4.77147 4.79038 4.80275 4.82043 4.83672 4.83920 4.84411 4.85653 4.86775 4.86951 4.87893 4.89623 4.89928 4.90910 4.92020 4.92065 4.96197 4.96681 4.98921 5.00077 5.00741 5.02892 5.03896 5.04695 5.06017 5.07730 5.10072 5.12348 5.12641 5.13110 5.13553 5.13848 5.14137 5.14816 5.15128 5.16655 5.18093 5.21098 5.23560 5.26189 5.26350 5.28415 5.31242 5.32544 5.33598 5.33857 5.35331 5.35959 5.36806 5.37372 5.37727 5.38508 5.38933 5.40121 5.41231 5.42508 5.42677 5.43726 5.44018 5.44760 5.45060 5.45667 5.47012 5.47313 5.49367 5.49378 5.52594 5.53273 5.53857 5.55337 5.55690 5.56658 5.57588 5.58746 5.60914 5.62691 5.64317 5.66240 5.67425 5.70567 5.70913 5.71539 5.72159 5.72545 5.73317 5.73738 5.74534 5.74836 5.76024 5.76037 5.79189 5.80433 5.81078 5.82911 5.84693 5.87899 5.89592 5.90956 5.91675 5.92542 5.94328 5.95896 5.98667 6.00199 6.00740 6.01869 6.07776 6.20991 6.57888 6.61801 6.64248 6.65920 6.70090 6.74176 6.76251 6.76667 6.77166 6.77296 6.78763 6.82837 6.87128 6.87555 6.90181 6.97314 6.98646 7.01976 7.03404 7.05059 7.08401 7.09146 7.11324 7.11846 7.12440 7.13363 7.14063 7.15716 7.17189 7.19012 7.19966 7.20681 7.21809 7.23152 7.23498 7.24326 7.24983 7.25994 7.36037 7.46885 7.48648 7.50568 7.55896 7.57402 7.77973 8.16981 8.18319 14.44981 14.47214 14.48389 14.48836 14.49083 14.49685 14.50079 14.50309 14.50603 14.50717 14.51094 14.51300 14.51454 14.52454 14.53810 14.54687 14.55382 14.55983 14.56374 14.57055 14.57490 14.57838 14.58809 14.60753 14.61421 14.64102 14.69530 14.76405 14.76904 14.80617 14.80993 14.81288 14.81337 14.81824 14.82346 14.88257 15.10436 15.15839 15.18702 15.19442 15.20647 15.20880 15.21652 15.21838 15.22586 16.11629 19.46203 19.47428 19.48154 19.50011 19.51427 19.51763 19.52647 19.54349 19.58580 19.60360 19.64625 19.69085 19.72829 19.75845 19.77216 50.09281 50.14293 50.15513 50.15720 50.16743 50.17380 50.18668 50.19381 50.29316 67.10295 67.18769 67.19336 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 29 30 B F F F O H H H H O H O H H H O H O H O H O H H O H H O H H 1.342411 -0.527676 -0.503689 -0.542587 -0.937971 0.251094 0.220372 0.349474 0.357300 -0.683833 0.375429 -0.657137 0.358352 0.303196 0.305525 -0.654672 0.286748 -0.677244 0.430132 -0.668949 0.290056 -0.707131 0.360480 0.335488 -0.681372 0.347774 0.314123 -0.859802 0.381836 0.492272 -1.00000 4.2994 0.1059 -1.9937 4.7404 -124.7858 -104.6855 -98.4292 10.3045 -6.1806 -1.8123 -15.4856 4.6146 10.8710 10.3045 -6.1806 -1.8123 58.3346 -16.6465 -15.7450 34.1494 30.7323 -18.0506 12.7722 -23.8293 -2.0279 -5.8385 -3057.6293 -1382.7835 -876.0319 132.1573 -83.2467 115.6665 -29.9510 -34.1494 2.9976 -648.8538 -675.7025 -335.6115 -32.7093 -24.5324 17.3383 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CIBELES2-166 LAMSABHI 01-Aug-2023 0 Single Point acidity/ CONF15 gas -1 1 Version=EM64L-G16RevC.01 State=1-A HF=-1012.5517129 RMSD=3.385e-09 Dipole=1.2010936,-0.4926748,-1.3389871 Quadrupole=-5.0714343,-3.7934204,8.8648548,10.1786412,1.254206,-4.6821067 PG=C01 [X(B1F3H17O9)] 0 -0.6335688878 -1.3039320228 -0.1203715733 0 -1.9941948793 -1.6119678054 0.069500391 0 -0.0791765886 -0.9082674287 1.1384275576 0 0.0528786791 -2.4582423892 -0.5863213033 0 -0.4461429962 -0.1997023854 -1.0601739478 0 -0.3646635498 -0.5351224525 -1.957620862 0 3.6829998008 0.6952191228 -2.904212783 0 -2.8615594744 0.8992798261 1.8193411035 0 2.962031964 -1.0935440354 0.5620234792 0 -1.2439304592 1.282738787 2.6367320048 0 -0.8698187611 2.0271235026 2.117333429 0 2.8725611769 -2.0810210563 -1.005533587 0 2.9050048476 -1.3749458547 -1.6777435461 0 -0.7671023196 0.5077076365 2.3079307014 0 1.9421799618 -2.3517485824 -0.9611458642 0 -3.5470992879 0.6346852141 1.169531077 0 -3.2427038054 -0.2297502502 0.8573414044 0 2.8745719535 0.2677992604 -2.6098264934 0 2.5151366053 0.8362813987 -1.8855466828 0 2.7555135055 -0.4567996359 1.2784963655 0 1.872051391 -0.7284434745 1.5654257244 0 -2.2288826448 2.0582075115 -0.8780251229 0 -1.6730793671 1.2823964672 -1.0671330028 0 -2.8698830888 1.7017792659 -0.2296653783 0 -0.288915441 3.1949145148 0.812813397 0 -0.9926294927 2.9710061458 0.1674382244 0 0.516425944 2.8128759692 0.4254489238 0 1.6972124066 1.4393191355 -0.4549656312 0 2.1612915752 0.9285179065 0.2462376441 0 0.8944845176 0.9006951824 -0.6286938704