Gaussian 16 GINC-BATMAN-NODE1 BREMOND E58 ES64L-G16RevC.01 29-Apr-2021 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 32 32 48 48 268 (5D, 7F) def2SVP 90 90 C1[X(C10H20O2)] C1[X(C10H20O2)] RM06L def2SVP/W06 FOpt #P M06L/DEF2SVP/W06 EMPIRICALDISPERSION(gd3) SCRF(smd, solvent=TetraHydroFuran) OPT FREQ INT(ultrafine) SCF(tight) 152.1058 0 1 AuxInfo=1/0/N:29,16,26,13,23,10,20,7,4,1,2,3/CRV:10.3,11.1/rA:32C3O1OCHHCHHCHHCHHCHHHCHHCHHCHHCHHH/rB:s1;s1;s3;s4;s4;s1;s7;s7;s7;s10;s10;s10;s13;s13;s13;s16;s16;s16;s4;s20;s20;s20;s23;s23;s23;s26;s26;s26;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /home/bremond/src/gaussian/g16-C.01/g16/l1.exe "/tmp/65364.batman-master/Gau-46018.inp" -scrdir="/tmp/65364.batman-master/" nproc=16 mem=60000mb chk=E58.chk #P M06L/DEF2SVP/W06 EMPIRICALDISPERSION(gd3) SCRF(smd, solvent=TetraHy 1/18=20,19=15,26=6,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=43,7=101,11=2,25=1,30=1,70=32201,71=1,72=20,74=-53,75=-5,82=40,124=31/1,2,3 4//1 5/5=2,32=2,38=5,53=20/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=6/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=43,7=101,11=2,25=1,30=1,70=32205,71=1,72=20,74=-53,75=-5,82=40,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,32=2,38=5,53=20/2 7//1,2,3,16 1/18=20,19=15,26=6/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 E58 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 12 16 16 12 1 1 12 1 1 12 1 1 12 1 1 12 1 1 1 12 1 1 12 1 1 12 1 1 12 1 1 1 12.0000000 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 0 1 1 0 1 1 0 1 1 0 1 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 -0.0000000 -0.0000000 (Enter /home/bremond/src/gaussian/g16-C.01/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 1 1 1 3 4 4 4 7 7 7 10 10 10 13 13 13 16 16 16 20 20 20 23 23 23 26 26 26 29 29 29 2 3 7 4 5 6 20 8 9 10 11 12 13 14 15 16 17 18 19 21 22 23 24 25 26 27 28 29 30 31 32 1.2158 1.354 1.54 1.4356 1.0928 1.0928 1.54 1.096 1.096 1.54 1.096 1.096 1.54 1.096 1.096 1.54 1.096 1.096 1.096 1.096 1.096 1.54 1.096 1.096 1.54 1.096 1.096 1.54 1.096 1.096 1.096 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 2 2 3 1 3 3 3 5 5 6 1 1 1 8 8 9 7 7 7 11 11 12 10 10 10 14 14 15 13 13 13 17 17 18 4 4 4 21 21 22 20 20 20 24 24 25 23 23 23 27 27 28 26 26 26 30 30 31 1 1 1 3 4 4 4 4 4 4 7 7 7 7 7 7 10 10 10 10 10 10 13 13 13 13 13 13 16 16 16 16 16 16 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 29 29 29 29 29 29 3 7 7 4 5 6 20 6 20 20 8 9 10 9 10 10 11 12 13 12 13 13 14 15 16 15 16 16 17 18 19 18 19 19 21 22 23 22 23 23 24 25 26 25 26 26 27 28 29 28 29 29 30 31 32 31 32 32 122.9193 124.561 112.5197 115.1297 110.6456 110.6456 105.6577 108.7126 110.585 110.585 111.3513 111.3513 111.3513 107.5275 107.5274 107.5274 111.3513 111.3513 111.3513 107.5274 107.5275 107.5274 111.3513 111.3513 111.3513 107.5275 107.5274 107.5274 111.3513 111.3513 111.3513 107.5275 107.5274 107.5274 111.3513 111.3513 111.3513 107.5275 107.5274 107.5274 111.3513 111.3513 111.3513 107.5274 107.5275 107.5274 111.3513 111.3513 111.3513 107.5274 107.5275 107.5274 111.3513 111.3513 111.3513 107.5275 107.5274 107.5274 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 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 D71 D72 D73 D74 2 7 2 2 2 3 3 3 1 1 1 3 3 3 5 5 5 6 6 6 1 1 1 8 8 8 9 9 9 7 7 7 11 11 11 12 12 12 10 10 10 14 14 14 15 15 15 4 4 4 21 21 21 22 22 22 20 20 20 24 24 24 25 25 25 23 23 23 27 27 27 28 28 28 1 1 1 1 1 1 1 1 3 3 3 4 4 4 4 4 4 4 4 4 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 26 26 26 26 26 26 26 26 26 3 3 7 7 7 7 7 7 4 4 4 20 20 20 20 20 20 20 20 20 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 16 16 16 16 16 16 16 16 16 23 23 23 23 23 23 23 23 23 26 26 26 26 26 26 26 26 26 29 29 29 29 29 29 29 29 29 4 4 8 9 10 8 9 10 5 6 20 21 22 23 21 22 23 21 22 23 11 12 13 11 12 13 11 12 13 14 15 16 14 15 16 14 15 16 17 18 19 17 18 19 17 18 19 24 25 26 24 25 26 24 25 26 27 28 29 27 28 29 27 28 29 30 31 32 30 31 32 30 31 32 0.0 180.0 90.5 -149.5 -29.5 -89.5 30.5 150.5 -60.2764 60.2764 180.0 -89.5 30.5 150.5 150.7365 -89.2634 30.7366 30.2634 150.2634 -89.7366 -92.262 27.7379 147.7379 145.5018 -94.4982 25.5018 29.9741 149.9741 -90.0259 -51.7718 68.2283 -171.7717 -174.0079 -54.0079 65.9921 70.4644 -169.5356 -49.5356 176.52 -63.4799 56.52 54.2839 174.2839 -65.7161 -61.2438 58.7562 178.7562 96.9794 -23.0206 -143.0206 -25.2567 -145.2567 94.7433 -140.7845 99.2156 -20.7844 -42.8898 77.1102 -162.8898 79.3463 -160.6537 -40.6537 -165.1259 -45.126 74.874 57.1528 177.1528 -62.8472 -65.0834 54.9167 174.9167 179.3889 -60.611 59.3889 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 280 A 268 A 440 280 689.8001882387 32 1.00e+00 60 F IExCor= 4134 DFT=T Ex+Corr=M06L ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 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 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 8778 NPrTT= 30106 LenC2= 7545 LenP2D= 19035. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 268 RedAO= T EigKep= 1.27D-03 NBF= 268 NBsUse= 268 1.00D-06 EigRej= -1.00D+00 NBFU= 268 Berny optimization. local minimum Step number 14 out of a maximum of 173 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00084 0.00209 0.00237 0.00238 0.00248 0.00254 0.00274 0.00283 0.00383 0.02286 0.03194 0.03295 0.03309 0.03340 0.03376 0.03431 0.04264 0.04679 0.04685 0.04690 0.04705 0.04956 0.05015 0.05249 0.05270 0.05298 0.05333 0.05339 0.05500 0.07963 0.08365 0.08444 0.08456 0.08759 0.09444 0.11324 0.11814 0.12261 0.12311 0.12325 0.12424 0.13006 0.13582 0.15868 0.15994 0.16002 0.16009 0.16046 0.16055 0.21403 0.21714 0.21860 0.21879 0.21887 0.21946 0.23621 0.24973 0.25168 0.25722 0.27968 0.28470 0.28512 0.28546 0.28630 0.28886 0.30373 0.31109 0.33770 0.34009 0.34115 0.34126 0.34130 0.34134 0.34134 0.34134 0.34134 0.34134 0.34134 0.34136 0.34138 0.34139 0.34158 0.34172 0.34264 0.34325 0.34446 0.34530 0.40477 0.54389 0.97709 -1.14698831e-09 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 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 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 D71 D72 D73 D74 2.28605 2.53707 2.83495 2.71003 2.08370 2.08371 2.84383 2.08474 2.08474 2.85929 2.08510 2.08510 2.86932 2.08692 2.08692 2.86011 2.07728 2.08035 2.08035 2.08489 2.08489 2.86775 2.08847 2.08847 2.87031 2.08663 2.08663 2.86011 2.08051 2.07736 2.08051 2.15060 2.19416 1.93842 2.03049 1.90455 1.90457 1.89253 1.85836 1.95155 1.95145 1.87905 1.87901 1.98968 1.81868 1.94392 1.94397 1.90814 1.90812 1.97540 1.83202 1.91732 1.91733 1.90692 1.90691 1.97777 1.83371 1.91648 1.91648 1.95592 1.94719 1.94719 1.87129 1.87128 1.86609 1.90318 1.90326 1.96394 1.84711 1.92129 1.92127 1.91112 1.91111 1.98225 1.83479 1.90939 1.90938 1.90518 1.90517 1.98007 1.83443 1.91664 1.91663 1.94781 1.95587 1.94779 1.87061 1.86620 1.87060 -0.00004 3.14155 2.16592 -2.16574 0.00011 -0.97567 0.97585 -3.14148 -1.01189 1.01221 -3.14149 -1.00456 1.00466 -3.14153 -3.10517 -1.09595 1.04105 1.09601 3.10523 -1.04096 -0.99826 0.99834 -3.14156 -3.12876 -1.13216 1.01113 1.13223 3.12883 -1.01107 -0.99867 0.99863 3.14156 -3.13687 -1.13957 1.00336 1.13950 3.13680 -1.00345 -3.14158 -1.04296 1.04301 1.00395 3.10256 -1.09465 -1.00394 1.09467 -3.10254 1.00156 -1.00162 3.14157 -1.12517 -3.12835 1.01484 3.12838 1.12520 -1.01480 -0.99812 0.99814 -3.14159 1.14284 3.13910 -1.00063 -3.13908 -1.14281 1.00064 1.04345 3.14159 -1.04349 -1.09368 1.00446 3.10256 -3.10261 -1.00448 1.09363 -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 0.00001 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 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00003 0.00003 -0.00002 0.00002 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00002 -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 0.00001 0.00003 -0.00002 -0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00004 0.00004 -0.00009 -0.00010 -0.00010 -0.00009 -0.00010 -0.00010 -0.00017 -0.00016 -0.00013 -0.00006 -0.00004 -0.00007 -0.00005 -0.00004 -0.00006 -0.00005 -0.00004 -0.00006 -0.00004 -0.00003 -0.00002 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00002 0.00003 0.00003 0.00004 0.00005 0.00005 0.00004 0.00005 0.00004 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00003 -0.00003 -0.00004 -0.00003 -0.00004 -0.00004 -0.00001 -0.00000 -0.00000 -0.00002 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00002 -0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00001 -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 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00002 0.00002 -0.00000 -0.00000 0.00001 -0.00001 0.00002 -0.00001 0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00002 -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 -0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00002 -0.00001 -0.00001 0.00002 -0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00001 0.00001 0.00001 0.00002 0.00002 0.00002 0.00002 0.00002 -0.00000 -0.00001 -0.00001 -0.00002 -0.00002 -0.00003 -0.00001 -0.00001 -0.00002 0.00001 0.00001 0.00002 -0.00000 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00002 -0.00002 -0.00003 -0.00001 -0.00002 -0.00002 -0.00001 -0.00002 -0.00002 0.00002 0.00003 0.00002 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00002 0.00002 0.00003 0.00002 0.00002 0.00002 0.00002 0.00001 0.00002 -0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 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 0.00000 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 0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00005 0.00004 -0.00002 0.00002 0.00001 -0.00002 0.00003 -0.00002 -0.00001 0.00002 0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00001 0.00005 -0.00003 -0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00000 -0.00002 0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00005 0.00005 -0.00008 -0.00011 -0.00011 -0.00008 -0.00011 -0.00011 -0.00018 -0.00018 -0.00013 -0.00005 -0.00003 -0.00006 -0.00004 -0.00002 -0.00005 -0.00003 -0.00001 -0.00004 -0.00004 -0.00003 -0.00003 -0.00004 -0.00004 -0.00004 -0.00002 -0.00002 -0.00002 0.00003 0.00003 0.00004 0.00004 0.00004 0.00005 0.00005 0.00005 0.00006 -0.00002 -0.00003 -0.00002 -0.00000 -0.00001 -0.00001 -0.00001 -0.00002 -0.00002 0.00002 0.00002 0.00001 -0.00002 -0.00002 -0.00003 -0.00002 -0.00002 -0.00003 -0.00002 -0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 0.00002 0.00000 0.00002 0.00002 0.00001 0.00003 0.00002 0.00001 0.00002 2.28605 2.53708 2.83495 2.71003 2.08371 2.08371 2.84383 2.08474 2.08474 2.85928 2.08510 2.08510 2.86932 2.08692 2.08692 2.86011 2.07728 2.08035 2.08035 2.08489 2.08489 2.86776 2.08847 2.08847 2.87031 2.08663 2.08663 2.86012 2.08051 2.07736 2.08051 2.15061 2.19416 1.93842 2.03049 1.90456 1.90457 1.89254 1.85836 1.95150 1.95149 1.87902 1.87902 1.98969 1.81866 1.94395 1.94395 1.90814 1.90813 1.97540 1.83202 1.91732 1.91732 1.90691 1.90691 1.97777 1.83372 1.91648 1.91648 1.95592 1.94719 1.94719 1.87129 1.87129 1.86609 1.90323 1.90323 1.96393 1.84711 1.92127 1.92127 1.91111 1.91111 1.98225 1.83479 1.90939 1.90939 1.90518 1.90518 1.98006 1.83443 1.91664 1.91664 1.94779 1.95587 1.94779 1.87061 1.86620 1.87061 0.00001 -3.14159 2.16584 -2.16585 -0.00000 -0.97575 0.97574 3.14159 -1.01207 1.01203 3.14157 -1.00461 1.00462 -3.14159 -3.10521 -1.09597 1.04100 1.09598 3.10522 -1.04099 -0.99830 0.99831 -3.14159 -3.12880 -1.13220 1.01109 1.13220 3.12881 -1.01109 -0.99864 0.99866 -3.14158 -3.13683 -1.13953 1.00341 1.13955 3.13684 -1.00340 -3.14159 -1.04299 1.04299 1.00395 3.10255 -1.09465 -1.00395 1.09465 -3.10255 1.00158 -1.00160 3.14158 -1.12519 -3.12837 1.01481 3.12836 1.12518 -1.01482 -0.99814 0.99813 3.14159 1.14281 3.13909 -1.00064 -3.13909 -1.14282 1.00064 1.04347 3.14159 -1.04347 -1.09365 1.00447 3.10259 -3.10260 -1.00447 1.09365 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000007 0.000001 0.000463 0.000127 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.128972e-09 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 1 1 1 3 4 4 4 7 7 7 10 10 10 13 13 13 16 16 16 20 20 20 23 23 23 26 26 26 29 29 29 2 3 7 4 5 6 20 8 9 10 11 12 13 14 15 16 17 18 19 21 22 23 24 25 26 27 28 29 30 31 32 1.2097 1.3426 1.5002 1.4341 1.1026 1.1027 1.5049 1.1032 1.1032 1.5131 1.1034 1.1034 1.5184 1.1044 1.1044 1.5135 1.0992 1.1009 1.1009 1.1033 1.1033 1.5175 1.1052 1.1052 1.5189 1.1042 1.1042 1.5135 1.101 1.0993 1.101 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 2 2 3 1 3 3 3 5 5 6 1 1 1 8 8 9 7 7 7 11 11 12 10 10 10 14 14 15 13 13 13 17 17 18 4 4 4 21 21 22 20 20 20 24 24 25 23 23 23 27 27 28 26 26 26 30 30 31 1 1 1 3 4 4 4 4 4 4 7 7 7 7 7 7 10 10 10 10 10 10 13 13 13 13 13 13 16 16 16 16 16 16 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 29 29 29 29 29 29 3 7 7 4 5 6 20 6 20 20 8 9 10 9 10 10 11 12 13 12 13 13 14 15 16 15 16 16 17 18 19 18 19 19 21 22 23 22 23 23 24 25 26 25 26 26 27 28 29 28 29 29 30 31 32 31 32 32 123.2205 125.7163 111.0631 116.3383 109.1229 109.1239 108.434 106.4762 111.8155 111.8099 107.6614 107.6592 114.0004 104.2029 111.3784 111.3812 109.3286 109.327 113.1821 104.9671 109.8544 109.855 109.2587 109.2578 113.3176 105.064 109.8064 109.8059 112.0659 111.566 111.5655 107.2171 107.2167 106.9189 109.0442 109.0489 112.5256 105.8314 110.0816 110.0805 109.4989 109.4987 113.5744 105.1254 109.4001 109.3996 109.1585 109.1582 113.4499 105.105 109.8154 109.8151 111.6011 112.0633 111.6003 107.1781 106.9252 107.1773 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 D71 D72 D73 2 7 2 2 2 3 3 3 1 1 1 3 3 3 5 5 5 6 6 6 1 1 1 8 8 8 9 9 9 7 7 7 11 11 11 12 12 12 10 10 10 14 14 14 15 15 15 4 4 4 21 21 21 22 22 22 20 20 20 24 24 24 25 25 25 23 23 23 27 27 27 28 28 1 1 1 1 1 1 1 1 3 3 3 4 4 4 4 4 4 4 4 4 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 26 26 26 26 26 26 26 26 3 3 7 7 7 7 7 7 4 4 4 20 20 20 20 20 20 20 20 20 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 16 16 16 16 16 16 16 16 16 23 23 23 23 23 23 23 23 23 26 26 26 26 26 26 26 26 26 29 29 29 29 29 29 29 29 4 4 8 9 10 8 9 10 5 6 20 21 22 23 21 22 23 21 22 23 11 12 13 11 12 13 11 12 13 14 15 16 14 15 16 14 15 16 17 18 19 17 18 19 17 18 19 24 25 26 24 25 26 24 25 26 27 28 29 27 28 29 27 28 29 30 31 32 30 31 32 30 31 -0.0024 -180.0026 124.0982 -124.088 0.0061 -55.9017 55.9122 180.0062 -57.9772 57.9955 180.0061 -57.5572 57.5626 -179.9963 -177.9132 -62.7935 59.6476 62.7967 177.9165 -59.6425 -57.1962 57.2006 -179.998 -179.265 -64.8682 57.9333 64.8718 179.2686 -57.93 -57.2196 57.2171 -180.0018 -179.7294 -65.2927 57.4884 65.2886 179.7252 -57.4937 -179.9991 -59.7574 59.7602 57.5221 177.7638 -62.7186 -57.5216 62.72 -177.7623 57.3851 -57.3885 179.9987 -64.4675 -179.241 58.1462 179.2428 64.4693 -58.1435 -57.1883 57.1891 180.0001 65.4798 179.8572 -57.3319 -179.8558 -65.4784 57.3326 59.7854 179.9997 -59.7876 -62.6631 57.5512 177.7639 -177.7666 -57.5523 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0012381305 PCM SMD-Coulomb. Total charges None On-the-fly selection TetraHydroFuran 7.425700 1.974025 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 0 0 152.1058 AuxInfo=1/0/N:29,16,26,13,23,10,20,7,4,1,2,3/CRV:10.3,11.1/rA:32C3O1OCHHCHHCHHCHHCHHHCHHCHHCHHCHHH/rB:s1;s1;s3;s4;s4;s1;s7;s7;s7;s10;s10;s10;s13;s13;s13;s16;s16;s16;s4;s20;s20;s20;s23;s23;s23;s26;s26;s26;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.215753 0.000000 1.353973 2.258420 0.000000 2.354847 2.639170 1.435650 0.000000 2.654392 2.631331 2.088425 1.092764 0.000000 2.654392 2.631331 2.088425 1.092764 1.776084 0.000000 1.540000 2.444147 2.408744 3.732469 4.085144 4.085144 0.000000 2.191276 2.995358 2.936614 4.230405 4.378911 4.774991 1.095951 0.000000 2.191276 3.273443 2.538891 3.950287 4.524112 4.315942 1.095951 1.767958 0.000000 2.543645 2.888957 3.688469 4.848252 5.172408 4.923917 1.540000 2.142263 2.142263 0.000000 3.076239 3.460477 4.038359 5.168014 5.672913 5.088755 2.191276 3.006836 2.331236 1.095951 0.000000 2.599246 2.445897 3.908857 4.826327 5.002695 4.770900 2.191276 2.729488 3.021578 1.095951 1.767957 0.000000 3.831012 4.182929 4.930845 6.172367 6.394089 6.371934 2.543645 2.520344 3.009867 1.540000 2.142263 2.142263 0.000000 3.934090 4.238346 5.029199 6.232554 6.286863 6.565364 2.745140 2.295406 3.392500 2.191276 3.066691 2.563077 1.095951 0.000000 4.350057 4.929079 5.250793 6.599010 6.931431 6.859948 2.874304 2.810454 2.955186 2.191276 2.455402 3.062803 1.095951 1.767958 0.000000 4.988613 5.061625 6.196219 7.325899 7.516994 7.363054 3.907622 3.995516 4.392634 2.543645 2.799681 2.666906 1.540000 2.142263 2.142263 0.000000 5.891811 6.001321 7.073918 8.245653 8.388400 8.355530 4.719455 4.608949 5.165875 3.502906 3.805056 3.679056 2.191276 2.457097 2.501281 1.095951 0.000000 5.354703 5.460371 6.498609 7.621315 7.940955 7.546515 4.292750 4.599205 4.589640 2.835535 2.650104 3.036673 2.191276 3.066861 2.485194 1.095951 1.767958 0.000000 4.965413 4.773851 6.268847 7.244391 7.326706 7.204672 4.170638 4.291348 4.851593 2.780722 3.159964 2.447111 2.191276 2.530884 3.068509 1.095951 1.767958 1.767957 0.000000 3.636438 4.143443 2.371938 1.540000 2.179245 2.179245 4.762409 5.186162 4.689621 6.032438 6.256635 6.182682 7.297400 7.366197 7.554969 8.556512 9.445421 8.807963 8.591208 0.000000 4.123128 4.649164 2.888039 2.191276 3.050852 2.383700 5.167957 5.750230 4.933549 6.327919 6.364498 6.524082 7.664866 7.877080 7.857118 8.870933 9.803899 8.991601 8.947846 1.095951 0.000000 3.768989 4.514778 2.435944 2.191276 2.731111 3.049459 4.615268 4.882269 4.416402 6.028992 6.300835 6.338093 7.144314 7.154133 7.279919 8.513573 9.326193 8.807570 8.660471 1.095951 1.767958 0.000000 4.823073 5.087612 3.689242 2.543645 2.599261 3.043846 6.070785 6.379278 6.124109 7.329914 7.640333 7.351380 8.574517 8.533510 8.909771 9.809685 10.685758 10.130588 9.745419 1.540000 2.142263 2.142263 0.000000 5.468819 5.617032 4.383025 3.115040 3.267296 3.259259 6.784635 7.210989 6.815738 7.937276 8.147671 7.899406 9.271453 9.311353 9.629839 10.431421 11.359437 10.676552 10.326186 2.191276 2.313711 2.989270 1.095951 0.000000 4.721577 4.791284 3.794940 2.579298 2.169249 3.113986 6.054111 6.267329 6.296368 7.264823 7.701374 7.161655 8.463977 8.318751 8.907572 9.652689 10.504324 10.063799 9.491519 2.191276 3.005974 2.761241 1.095951 1.767958 0.000000 5.881033 6.315942 4.657033 3.805818 3.828871 4.474396 6.932712 7.085985 6.870473 8.325092 8.668579 8.472408 9.442986 9.328001 9.663449 10.785027 11.590064 11.147124 10.812529 2.543645 3.050548 2.501030 1.540000 2.142263 2.142263 0.000000 6.128415 6.718717 4.813494 4.156040 4.431336 4.794444 7.036911 7.239825 6.802511 8.450288 8.692229 8.717404 9.559387 9.524196 9.665701 10.936562 11.740064 11.226347 11.061319 2.683725 2.887638 2.424970 2.191276 2.624569 3.056920 1.095951 0.000000 5.796392 6.277848 4.644942 3.994794 3.845620 4.846919 6.737041 6.721605 6.729312 8.187836 8.644478 8.363058 9.173493 8.945134 9.383166 10.560693 11.292883 11.012985 10.606394 2.948642 3.692866 2.609446 2.191276 3.048899 2.403645 1.095951 1.767957 0.000000 7.246210 7.538245 6.076513 5.058224 4.945466 5.572925 8.387804 8.539057 8.374825 9.741415 10.089989 9.806313 10.887628 10.746284 11.155704 12.194174 13.011838 12.566114 12.155945 3.889699 4.250651 4.019969 2.543645 2.604528 2.876746 1.540000 2.142263 2.142263 0.000000 7.601680 7.844225 6.421464 5.304062 5.314170 5.624799 8.803880 9.077008 8.752531 10.089221 10.342102 10.127345 11.327456 11.275527 11.603430 12.584562 13.456366 12.879210 12.529105 4.105068 4.212585 4.426281 2.785585 2.398289 3.276916 2.191276 2.526649 3.068571 1.095951 0.000000 8.049290 8.430064 6.843310 5.952994 5.859426 6.542637 9.086380 9.165643 9.010109 10.498436 10.857007 10.633371 11.575585 11.401753 11.776190 12.935698 13.713042 13.324522 12.952503 4.702967 5.038483 4.629876 3.503160 3.638472 3.860363 2.191276 2.461003 2.497161 1.095951 1.767958 0.000000 7.370419 7.515808 6.324233 5.221273 4.884881 5.723129 8.588968 8.685649 8.711954 9.900132 10.332604 9.861991 11.026907 10.811479 11.385378 12.288495 13.093445 12.724274 12.164985 4.312520 4.830079 4.538591 2.830442 2.917678 2.738372 2.191276 3.067223 2.489257 1.095951 1.767958 1.767957 0.000000 C10H20O2 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 0 0 152.1058 AuxInfo=1/0/N:29,16,26,13,23,10,20,7,4,1,2,3/CRV:10.3,11.1/rA:32C3O1OCHHCHHCHHCHHCHHHCHHCHHCHHCHHH/rB:s1;s1;s3;s4;s4;s1;s7;s7;s7;s10;s10;s10;s13;s13;s13;s16;s16;s16;s4;s20;s20;s20;s23;s23;s23;s26;s26;s26;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 4.0789164 0.2111942 0.2067900 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 0 0 152.1058 AuxInfo=1/0/N:29,16,26,13,23,10,20,7,4,1,2,3/CRV:10.3,11.1/rA:32C3O1OCHHCHHCHHCHHCHHHCHHCHHCHHCHHH/rB:s1;s1;s3;s4;s4;s1;s7;s7;s7;s10;s10;s10;s13;s13;s13;s16;s16;s16;s4;s20;s20;s20;s23;s23;s23;s26;s26;s26;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.209725 0.000000 1.342560 2.246219 0.000000 2.359556 2.655675 1.434085 0.000000 2.630660 2.609683 2.075686 1.102647 0.000000 2.630809 2.609911 2.075705 1.102653 1.766731 0.000000 1.500192 2.415139 2.345371 3.681085 4.016808 4.016930 0.000000 2.114674 3.112000 2.562882 3.926627 4.165202 4.519449 1.103195 0.000000 2.114647 3.111927 2.562927 3.926672 4.519386 4.165258 1.103198 1.741064 0.000000 2.527148 2.850044 3.700554 4.885274 5.052359 5.052588 1.513069 2.173328 2.173366 0.000000 2.758378 2.778602 3.996680 5.024575 5.250668 4.947721 2.147556 3.078757 2.536043 1.103386 0.000000 2.758388 2.778706 3.996616 5.024511 4.947418 5.250926 2.147537 2.535954 3.078771 1.103388 1.750366 0.000000 3.880203 4.356511 4.875898 6.186804 6.419172 6.419353 2.530538 2.792103 2.792122 1.518377 2.158920 2.158930 0.000000 4.161022 4.781164 4.994868 6.349630 6.525336 6.758622 2.755552 2.559205 3.098667 2.152024 3.069784 2.520934 1.104352 0.000000 4.160974 4.781077 4.994865 6.349631 6.758453 6.525441 2.755519 3.098634 2.559190 2.152013 2.520939 3.069783 1.104352 1.753033 0.000000 5.059930 5.261844 6.195111 7.417095 7.551332 7.551562 3.885058 4.207059 4.207072 2.532875 2.769369 2.769420 1.513506 2.154763 2.154758 0.000000 5.994747 6.296878 7.047987 8.332765 8.508067 8.508268 4.704441 4.894424 4.894425 3.494449 3.783591 3.783639 2.179237 2.504732 2.504722 1.099247 0.000000 5.234567 5.283377 6.429352 7.566511 7.744258 7.540044 4.219835 4.779173 4.445312 2.810810 2.594108 3.134652 2.174283 3.083593 2.531304 1.100873 1.771059 0.000000 5.234613 5.283468 6.429360 7.566518 7.539818 7.744556 4.219860 4.445308 4.779206 2.810824 3.134609 2.594178 2.174277 2.531293 3.083584 1.100873 1.771053 1.768962 0.000000 3.633109 4.132709 2.384567 1.504891 2.171135 2.171071 4.712777 4.751865 4.751997 6.082639 6.307011 6.306867 7.237807 7.280195 7.280261 8.578729 9.415551 8.793463 8.793414 0.000000 3.880142 4.530775 2.605971 2.136688 3.073005 2.516567 4.762113 4.868953 4.543515 6.182069 6.351013 6.588951 7.223521 7.311843 7.097786 8.610211 9.388232 8.783309 8.958745 1.103279 0.000000 3.880195 4.530788 2.606085 2.136746 2.516693 3.073006 4.762174 4.543446 4.869214 6.182058 6.589075 6.350791 7.223538 7.097736 7.311978 8.610192 9.388232 8.958774 8.783193 1.103277 1.760278 0.000000 4.863903 5.089962 3.752386 2.513453 2.791559 2.791437 6.095971 6.184015 6.184108 7.380710 7.512295 7.512180 8.625430 8.706243 8.706287 9.906682 10.792147 10.062085 10.062054 1.517550 2.161003 2.160988 0.000000 5.023425 5.086417 4.056575 2.742759 3.108711 2.561779 6.332795 6.603045 6.367522 7.524204 7.493139 7.695312 8.828405 9.042498 8.870765 10.044127 10.965952 10.078910 10.231758 2.154991 2.521878 3.073956 1.105171 0.000000 5.023438 5.086397 4.056626 2.742783 2.561943 3.108633 6.332815 6.367510 6.603154 7.524165 7.695326 7.492981 8.828390 8.870754 9.042528 10.044080 10.965922 10.231698 10.078832 2.154990 3.073967 2.521871 1.105172 1.755055 0.000000 6.154789 6.519011 4.924936 3.878021 4.210733 4.210603 7.245913 7.217916 7.218051 8.622454 8.814284 8.814125 9.764117 9.763516 9.763599 11.118056 11.943257 11.322355 11.322289 2.540425 2.785384 2.785346 1.518904 2.154912 2.154905 0.000000 6.308248 6.783885 5.038104 4.165130 4.740411 4.401462 7.282764 7.298966 7.086937 8.698981 8.852777 9.024259 9.759533 9.792236 9.634127 11.149329 11.928550 11.322120 11.458181 2.764316 2.551421 3.097696 2.151082 2.515413 3.066647 1.104196 0.000000 6.308255 6.783863 5.038145 4.165142 4.401597 4.740309 7.282781 7.086821 7.299172 8.698945 9.024377 8.852527 9.759519 9.634031 9.792351 11.149285 11.928522 11.458202 11.321969 2.764317 3.097748 2.551381 2.151077 3.066648 2.515391 1.104195 1.753266 0.000000 7.396803 7.595811 6.247844 5.048665 5.215867 5.215724 8.591662 8.609602 8.609708 9.908121 10.034625 10.034490 11.121493 11.156303 11.156366 12.429051 13.295650 12.587145 12.587097 3.894579 4.197932 4.197899 2.535237 2.764718 2.764715 1.513505 2.154761 2.154756 0.000000 7.555202 7.649321 6.484504 5.219241 5.446558 5.151493 8.810988 8.962577 8.789145 10.067608 10.073625 10.226060 11.329540 11.468810 11.332839 12.590688 13.487556 12.653323 12.776359 4.229398 4.433530 4.771806 2.814382 2.589757 3.132377 2.174782 2.531551 3.083910 1.100957 0.000000 8.305341 8.586234 7.097909 5.987856 6.203089 6.202944 9.424148 9.382054 9.382182 10.790378 10.953702 10.953543 11.943334 11.931933 11.932018 13.292849 14.122453 13.481463 13.481394 4.714295 4.886788 4.886751 3.496322 3.778531 3.778528 2.179238 2.504957 2.504959 1.099292 1.770718 0.000000 7.555212 7.649313 6.484537 5.219257 5.151659 5.446445 8.811002 8.789094 8.962697 10.067580 10.226122 10.073458 11.329527 11.332798 11.468861 12.590650 13.487531 12.776338 12.653236 4.229398 4.771835 4.433497 2.814387 3.132392 2.589758 2.174774 3.083908 2.531518 1.100959 1.769170 1.770711 0.000000 C10H20O2 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 0 0 152.1058 AuxInfo=1/0/N:29,16,26,13,23,10,20,7,4,1,2,3/CRV:10.3,11.1/rA:32C3O1OCHHCHHCHHCHHCHHHCHHCHHCHHCHHH/rB:s1;s1;s3;s4;s4;s1;s7;s7;s7;s10;s10;s10;s13;s13;s13;s16;s16;s16;s4;s20;s20;s20;s23;s23;s23;s26;s26;s26;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 4.9291594 0.2051078 0.1990875 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= 274 274 274 274 274 MxSgAt= 32 MxSgA2= 32. def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 280 A 268 A 268 440 280 48 48 690.5123006068 32 32 32 1.00e+00 60 F IExCor= 4134 DFT=T Ex+Corr=M06L ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0012332254 PCM SMD-Coulomb. Total charges None On-the-fly selection TetraHydroFuran 7.425700 1.974025 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 280 A 268 A 268 440 280 48 48 691.1870796412 32 32 32 1.00e+00 60 F IExCor= 4134 DFT=T Ex+Corr=M06L ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0012264326 PCM SMD-Coulomb. Total charges None On-the-fly selection TetraHydroFuran 7.425700 1.974025 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 280 A 268 A 268 440 280 48 48 691.4307710766 32 32 32 1.00e+00 60 F IExCor= 4134 DFT=T Ex+Corr=M06L ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0012185593 PCM SMD-Coulomb. Total charges None On-the-fly selection TetraHydroFuran 7.425700 1.974025 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 280 A 268 A 268 440 280 48 48 690.0422744972 32 32 32 1.00e+00 60 F IExCor= 4134 DFT=T Ex+Corr=M06L ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0012110752 PCM SMD-Coulomb. Total charges None On-the-fly selection TetraHydroFuran 7.425700 1.974025 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 280 A 268 A 268 440 280 48 48 690.7893114773 32 32 32 1.00e+00 60 F IExCor= 4134 DFT=T Ex+Corr=M06L ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0012105238 PCM SMD-Coulomb. Total charges None On-the-fly selection TetraHydroFuran 7.425700 1.974025 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 280 A 268 A 268 440 280 48 48 690.3916285808 32 32 32 1.00e+00 60 F IExCor= 4134 DFT=T Ex+Corr=M06L ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0012077799 PCM SMD-Coulomb. Total charges None On-the-fly selection TetraHydroFuran 7.425700 1.974025 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 280 A 268 A 268 440 280 48 48 690.3820874933 32 32 32 1.00e+00 60 F IExCor= 4134 DFT=T Ex+Corr=M06L ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0012075229 PCM SMD-Coulomb. Total charges None On-the-fly selection TetraHydroFuran 7.425700 1.974025 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 280 A 268 A 268 440 280 48 48 690.3610132282 32 32 32 1.00e+00 60 F IExCor= 4134 DFT=T Ex+Corr=M06L ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0012074516 PCM SMD-Coulomb. Total charges None On-the-fly selection TetraHydroFuran 7.425700 1.974025 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 280 A 268 A 268 440 280 48 48 690.3494636306 32 32 32 1.00e+00 60 F IExCor= 4134 DFT=T Ex+Corr=M06L ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0012073676 PCM SMD-Coulomb. Total charges None On-the-fly selection TetraHydroFuran 7.425700 1.974025 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 280 A 268 A 268 440 280 48 48 690.3669460401 32 32 32 1.00e+00 60 F IExCor= 4134 DFT=T Ex+Corr=M06L ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0012074290 PCM SMD-Coulomb. Total charges None On-the-fly selection TetraHydroFuran 7.425700 1.974025 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 280 A 268 A 268 440 280 48 48 690.3668804760 32 32 32 1.00e+00 60 F IExCor= 4134 DFT=T Ex+Corr=M06L ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0012074289 PCM SMD-Coulomb. Total charges None On-the-fly selection TetraHydroFuran 7.425700 1.974025 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 280 A 268 A 268 440 280 48 48 690.3672826566 32 32 32 1.00e+00 60 F IExCor= 4134 DFT=T Ex+Corr=M06L ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0012074306 PCM SMD-Coulomb. Total charges None On-the-fly selection TetraHydroFuran 7.425700 1.974025 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 280 A 268 A 268 440 280 48 48 690.3662691092 32 32 32 1.00e+00 60 F IExCor= 4134 DFT=T Ex+Corr=M06L ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0012074254 PCM SMD-Coulomb. Total charges None On-the-fly selection TetraHydroFuran 7.425700 1.974025 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 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 8778 NPrTT= 30106 LenC2= 7489 LenP2D= 18931. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 268 RedAO= T EigKep= 9.25D-04 NBF= 268 NBsUse= 268 1.00D-06 EigRej= -1.00D+00 NBFU= 268 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= 273 273 273 273 273 MxSgAt= 32 MxSgA2= 32. 1 Closed 1 1 1 -542.735251240290 -542.851185210158 -0.115933969868 -543.065838037642 -0.214652827484 -542.779668697686 0.286169339956 -543.083115415848 -0.303446718163 -543.112032891252 -0.028917475404 -543.112139776281 -0.000106885029 -543.112153120432 -0.000013344151 -543.112154104906 -0.000000984474 -543.112154129814 -0.000000024908 -543.112154130554 -0.000000000740 -543.112154130795 -0.000000000241 -543.112154130799 -0.000000000004 -543.112154131 13 5.375623687232e+02 -2.640803535092e+03 8.703363841180e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 7864320000 LenX= 7864154466 LenY= 7864075625 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. 3.98257893e-01 -6.84322198e-01 2.56767998e-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 31 32 6 8 8 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 0.001508867 -0.001278780 -0.008351257 0.000356838 -0.011537763 -0.007278382 -0.001888970 0.019903805 -0.006339413 -0.002881630 -0.033662912 -0.006141436 0.003990682 0.004534230 -0.000954372 -0.002495913 0.006201844 0.000385263 -0.020223683 0.014920370 0.013114524 0.005628481 -0.003755868 0.005752983 0.004612055 -0.006740641 0.003672866 0.019367785 -0.002417938 -0.016754140 -0.004266181 -0.000880659 0.004000339 0.000353391 -0.000081496 0.004791406 -0.017824620 0.020883519 0.003042967 0.004502220 -0.003557535 0.002666944 0.002091811 -0.006320580 -0.001004281 0.005454932 -0.013219302 0.002219618 0.000344902 0.001068522 -0.002157095 -0.003083427 0.000429309 -0.000307852 0.000432422 0.002069430 0.002024125 0.008531940 0.016197617 0.020661346 -0.003136240 -0.000439400 -0.006175795 0.000474919 0.003944012 -0.006138808 0.005518443 -0.020064195 -0.013241223 -0.002965718 0.003692773 0.002766469 0.000284055 0.004778082 0.002048419 -0.001727329 0.001847488 0.029199144 -0.003440131 -0.000655591 -0.004962656 0.000608038 0.001638154 -0.006824109 -0.000933118 0.002885327 -0.014198138 -0.002355787 -0.000514016 0.001643520 0.001674471 -0.001898466 0.000814258 0.001486497 0.002030659 0.002024768 0.033662912 0.008801847 (Enter /home/bremond/src/gaussian/g16-C.01/g16/l716.exe) Closed 1 1 1 -543.132028722986 -543.132029716538 -0.000000993552 -543.132029718641 -0.000000002103 -543.132029718833 -0.000000000192 -543.132029718839 -0.000000000005 -543.132029719 5 5.376864928348e+02 -2.641941282106e+03 8.707644305631e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 7864320000 LenX= 7864154466 LenY= 7864075625 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 /home/bremond/src/gaussian/g16-C.01/g16/l716.exe) PT6148.400S 2021-04-29T21:02:31.000+02:00 3.91341337e-01 -8.11007810e-01 1.84703320e-05 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -543.1320297 9.641E-9 1.84E-6 0.0878727,-3.356906,3.2690334,2.096011,1.2111488,-3.5674356 C01 [X(C10H20O2)] 0.3412023 -0.7948059 -0.250492 0.000000691 0.000004437 -0.000001777 -0.000000261 0.000000551 -0.000000855 0.000002154 -0.000005040 0.000002622 -0.000003739 -0.000001612 -0.000000840 0.000002087 -0.000001923 0.000002546 0.000001529 0.000002492 -0.000001292 -0.000003707 0.000007544 0.000001510 0.000001500 -0.000003493 0.000000923 0.000000208 0.000000340 -0.000001950 0.000000671 -0.000003970 0.000002657 -0.000000991 -0.000000064 0.000000684 -0.000000763 0.000001267 -0.000000471 -0.000001134 -0.000000510 -0.000002449 -0.000000845 0.000000766 0.000001229 0.000000088 0.000000670 0.000000840 0.000000665 0.000003273 0.000000526 -0.000000501 0.000000209 0.000000689 0.000000159 -0.000000512 0.000000346 -0.000000397 0.000000209 0.000000542 -0.000000660 -0.000000175 -0.000003575 0.000001666 -0.000002227 0.000002259 0.000000219 0.000001885 -0.000000681 -0.000000130 0.000000349 0.000002597 0.000000042 -0.000000854 -0.000000637 -0.000000017 -0.000000382 -0.000000989 0.000000046 -0.000000852 -0.000003313 0.000000050 0.000000032 0.000000003 0.000000003 -0.000000474 -0.000000282 0.000002553 -0.000000414 0.000003469 -0.000000368 -0.000000720 -0.000001675 -0.000000477 -0.000000290 -0.000001104 -0.000000341 -0.000000513 -0.000001555 152.1058 AuxInfo=1/0/N:29,16,26,13,23,10,20,7,4,1,2,3/CRV:10.3,11.1/rA:32C3O1OCHHCHHCHHCHHCHHHCHHCHHCHHCHHH/rB:s1;s1;s3;s4;s4;s1;s7;s7;s7;s10;s10;s10;s13;s13;s13;s16;s16;s16;s4;s20;s20;s20;s23;s23;s23;s26;s26;s26;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-BATMAN-NODE1 BREMOND E58 ES64L-G16RevC.01 90 C1[X(C10H20O2)] RM06L def2SVP/W06 Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RM06L/def2SVP/W06 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 0 0 152.1058 AuxInfo=1/0/N:29,16,26,13,23,10,20,7,4,1,2,3/CRV:10.3,11.1/rA:32C3O1OCHHCHHCHHCHHCHHHCHHCHHCHHCHHH/rB:s1;s1;s3;s4;s4;s1;s7;s7;s7;s10;s10;s10;s13;s13;s13;s16;s16;s16;s4;s20;s20;s20;s23;s23;s23;s26;s26;s26;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; E58 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 31 32 12 16 16 12 1 1 12 1 1 12 1 1 12 1 1 12 1 1 1 12 1 1 12 1 1 12 1 1 12 1 1 1 12.0000000 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 3.6000000 5.6000000 5.6000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 (Enter /home/bremond/src/gaussian/g16-C.01/g16/l101.exe) Structure from the checkpoint file: "E58.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 1 1 1 3 4 4 4 7 7 7 10 10 10 13 13 13 16 16 16 20 20 20 23 23 23 26 26 26 29 29 29 2 3 7 4 5 6 20 8 9 10 11 12 13 14 15 16 17 18 19 21 22 23 24 25 26 27 28 29 30 31 32 1.2097 1.3426 1.5002 1.4341 1.1026 1.1027 1.5049 1.1032 1.1032 1.5131 1.1034 1.1034 1.5184 1.1044 1.1044 1.5135 1.0992 1.1009 1.1009 1.1033 1.1033 1.5175 1.1052 1.1052 1.5189 1.1042 1.1042 1.5135 1.101 1.0993 1.101 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 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 2 2 3 1 3 3 3 5 5 6 1 1 1 8 8 9 7 7 7 11 11 12 10 10 10 14 14 15 13 13 13 17 17 18 4 4 4 21 21 22 20 20 20 24 24 25 23 23 23 27 27 28 26 26 26 30 30 31 1 1 1 3 4 4 4 4 4 4 7 7 7 7 7 7 10 10 10 10 10 10 13 13 13 13 13 13 16 16 16 16 16 16 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 29 29 29 29 29 29 3 7 7 4 5 6 20 6 20 20 8 9 10 9 10 10 11 12 13 12 13 13 14 15 16 15 16 16 17 18 19 18 19 19 21 22 23 22 23 23 24 25 26 25 26 26 27 28 29 28 29 29 30 31 32 31 32 32 123.2205 125.7163 111.0631 116.3383 109.1229 109.1239 108.434 106.4762 111.8155 111.8099 107.6614 107.6592 114.0004 104.2029 111.3784 111.3812 109.3286 109.327 113.1821 104.9671 109.8544 109.855 109.2587 109.2578 113.3176 105.064 109.8064 109.8059 112.0659 111.566 111.5655 107.2171 107.2167 106.9189 109.0442 109.0489 112.5256 105.8314 110.0816 110.0805 109.4989 109.4987 113.5744 105.1254 109.4001 109.3996 109.1585 109.1582 113.4499 105.105 109.8154 109.8151 111.6011 112.0633 111.6003 107.1781 106.9252 107.1773 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 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 D71 D72 D73 D74 2 7 2 2 2 3 3 3 1 1 1 3 3 3 5 5 5 6 6 6 1 1 1 8 8 8 9 9 9 7 7 7 11 11 11 12 12 12 10 10 10 14 14 14 15 15 15 4 4 4 21 21 21 22 22 22 20 20 20 24 24 24 25 25 25 23 23 23 27 27 27 28 28 28 1 1 1 1 1 1 1 1 3 3 3 4 4 4 4 4 4 4 4 4 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 26 26 26 26 26 26 26 26 26 3 3 7 7 7 7 7 7 4 4 4 20 20 20 20 20 20 20 20 20 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 16 16 16 16 16 16 16 16 16 23 23 23 23 23 23 23 23 23 26 26 26 26 26 26 26 26 26 29 29 29 29 29 29 29 29 29 4 4 8 9 10 8 9 10 5 6 20 21 22 23 21 22 23 21 22 23 11 12 13 11 12 13 11 12 13 14 15 16 14 15 16 14 15 16 17 18 19 17 18 19 17 18 19 24 25 26 24 25 26 24 25 26 27 28 29 27 28 29 27 28 29 30 31 32 30 31 32 30 31 32 -0.0024 179.9974 124.0982 -124.088 0.0061 -55.9017 55.9122 -179.9938 -57.9772 57.9955 -179.9939 -57.5572 57.5626 -179.9963 -177.9132 -62.7935 59.6476 62.7967 177.9165 -59.6425 -57.1962 57.2006 -179.998 -179.265 -64.8682 57.9333 64.8718 179.2686 -57.93 -57.2196 57.2171 179.9982 -179.7294 -65.2927 57.4884 65.2886 179.7252 -57.4937 -179.9991 -59.7574 59.7602 57.5221 177.7638 -62.7186 -57.5216 62.72 -177.7623 57.3851 -57.3885 179.9987 -64.4675 -179.241 58.1462 179.2428 64.4693 -58.1435 -57.1883 57.1891 -179.9999 65.4798 179.8572 -57.3319 -179.8558 -65.4784 57.3326 59.7854 179.9997 -59.7876 -62.6631 57.5512 177.7639 -177.7666 -57.5523 62.6604 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|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. 0.00071 0.00176 0.00205 0.00234 0.00247 0.00282 0.00308 0.00316 0.00352 0.02297 0.03113 0.03157 0.03325 0.03397 0.03640 0.03651 0.03693 0.03706 0.03728 0.03760 0.03771 0.03838 0.04254 0.04256 0.04269 0.04270 0.04555 0.05082 0.06027 0.06646 0.06780 0.06965 0.07204 0.07336 0.07719 0.09441 0.09539 0.09595 0.10885 0.11298 0.11655 0.11663 0.12767 0.12968 0.13024 0.13276 0.14203 0.14820 0.15525 0.15537 0.16244 0.17824 0.19306 0.20836 0.21715 0.22790 0.23813 0.24506 0.26396 0.30067 0.30386 0.30959 0.31350 0.31834 0.32354 0.32782 0.32796 0.32928 0.32970 0.33000 0.33237 0.33240 0.33243 0.33284 0.33301 0.33496 0.33512 0.33635 0.33828 0.33928 0.34085 0.34108 0.34192 0.34220 0.34472 0.34529 0.36355 0.38129 0.48119 0.90192 Angle between quadratic step and forces= 72.41 degrees. 1 2 0.00016247 0.00000002 0.00000001 0.00000000 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 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 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 D71 D72 D73 D74 2.28605 2.53707 2.83495 2.71003 2.08370 2.08371 2.84383 2.08474 2.08474 2.85929 2.08510 2.08510 2.86932 2.08692 2.08692 2.86011 2.07728 2.08035 2.08035 2.08489 2.08489 2.86775 2.08847 2.08847 2.87031 2.08663 2.08663 2.86011 2.08051 2.07736 2.08051 2.15060 2.19416 1.93842 2.03049 1.90455 1.90457 1.89253 1.85836 1.95155 1.95145 1.87905 1.87901 1.98968 1.81868 1.94392 1.94397 1.90814 1.90812 1.97540 1.83202 1.91732 1.91733 1.90692 1.90691 1.97777 1.83371 1.91648 1.91648 1.95592 1.94719 1.94719 1.87129 1.87128 1.86609 1.90318 1.90326 1.96394 1.84711 1.92129 1.92127 1.91112 1.91111 1.98225 1.83479 1.90939 1.90938 1.90518 1.90517 1.98007 1.83443 1.91664 1.91663 1.94781 1.95587 1.94779 1.87061 1.86620 1.87060 -0.00004 3.14155 2.16592 -2.16574 0.00011 -0.97567 0.97585 -3.14148 -1.01189 1.01221 -3.14149 -1.00456 1.00466 -3.14153 -3.10517 -1.09595 1.04105 1.09601 3.10523 -1.04096 -0.99826 0.99834 -3.14156 -3.12876 -1.13216 1.01113 1.13223 3.12883 -1.01107 -0.99867 0.99863 3.14156 -3.13687 -1.13957 1.00336 1.13950 3.13680 -1.00345 -3.14158 -1.04296 1.04301 1.00395 3.10256 -1.09465 -1.00394 1.09467 -3.10254 1.00156 -1.00162 3.14157 -1.12517 -3.12835 1.01484 3.12838 1.12520 -1.01480 -0.99812 0.99814 -3.14159 1.14284 3.13910 -1.00063 -3.13908 -1.14281 1.00064 1.04345 3.14159 -1.04349 -1.09368 1.00446 3.10256 -3.10261 -1.00448 1.09363 -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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00002 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 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 0.00000 0.00001 -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 0.00001 -0.00000 0.00001 -0.00001 -0.00006 0.00004 -0.00003 0.00002 0.00001 -0.00003 0.00003 -0.00001 -0.00001 0.00002 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00001 0.00005 -0.00003 -0.00001 0.00001 -0.00002 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00000 -0.00002 0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00003 0.00003 -0.00013 -0.00017 -0.00016 -0.00013 -0.00016 -0.00016 -0.00018 -0.00018 -0.00013 -0.00007 -0.00005 -0.00008 -0.00006 -0.00004 -0.00007 -0.00005 -0.00003 -0.00005 -0.00006 -0.00005 -0.00005 -0.00005 -0.00005 -0.00005 -0.00003 -0.00003 -0.00003 0.00002 0.00002 0.00003 0.00003 0.00003 0.00004 0.00003 0.00003 0.00004 -0.00002 -0.00003 -0.00003 -0.00000 -0.00001 -0.00001 -0.00001 -0.00002 -0.00002 0.00002 0.00002 0.00001 -0.00002 -0.00003 -0.00003 -0.00003 -0.00003 -0.00004 -0.00002 -0.00001 -0.00001 -0.00003 -0.00002 -0.00002 -0.00002 -0.00001 -0.00001 0.00001 0.00000 0.00002 0.00002 0.00001 0.00003 0.00002 0.00000 0.00002 -0.00000 0.00002 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 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 0.00000 0.00001 -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 0.00001 -0.00000 0.00001 -0.00001 -0.00006 0.00004 -0.00003 0.00002 0.00001 -0.00003 0.00003 -0.00001 -0.00001 0.00002 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00001 0.00005 -0.00003 -0.00001 0.00001 -0.00002 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00000 -0.00002 0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00003 0.00003 -0.00013 -0.00017 -0.00016 -0.00013 -0.00016 -0.00016 -0.00018 -0.00018 -0.00013 -0.00007 -0.00005 -0.00008 -0.00006 -0.00004 -0.00007 -0.00005 -0.00003 -0.00005 -0.00006 -0.00005 -0.00005 -0.00005 -0.00005 -0.00005 -0.00003 -0.00003 -0.00003 0.00002 0.00002 0.00003 0.00003 0.00003 0.00004 0.00003 0.00003 0.00004 -0.00002 -0.00003 -0.00003 -0.00000 -0.00001 -0.00001 -0.00001 -0.00002 -0.00002 0.00002 0.00002 0.00001 -0.00002 -0.00003 -0.00003 -0.00003 -0.00003 -0.00004 -0.00002 -0.00001 -0.00001 -0.00003 -0.00002 -0.00002 -0.00002 -0.00001 -0.00001 0.00001 0.00000 0.00002 0.00002 0.00001 0.00003 0.00002 0.00000 0.00002 2.28605 2.53709 2.83495 2.71002 2.08371 2.08371 2.84383 2.08474 2.08474 2.85927 2.08510 2.08510 2.86932 2.08692 2.08692 2.86011 2.07727 2.08035 2.08035 2.08489 2.08489 2.86776 2.08847 2.08847 2.87031 2.08663 2.08663 2.86012 2.08051 2.07736 2.08051 2.15060 2.19416 1.93842 2.03049 1.90457 1.90457 1.89254 1.85835 1.95149 1.95149 1.87902 1.87903 1.98969 1.81866 1.94395 1.94396 1.90814 1.90814 1.97540 1.83202 1.91732 1.91732 1.90691 1.90691 1.97777 1.83372 1.91648 1.91648 1.95592 1.94719 1.94719 1.87129 1.87129 1.86609 1.90323 1.90323 1.96393 1.84711 1.92127 1.92127 1.91111 1.91111 1.98225 1.83479 1.90939 1.90939 1.90518 1.90518 1.98006 1.83443 1.91664 1.91664 1.94779 1.95587 1.94779 1.87061 1.86621 1.87061 -0.00001 3.14157 2.16579 -2.16591 -0.00005 -0.97580 0.97569 3.14154 -1.01207 1.01203 3.14157 -1.00464 1.00460 3.14158 -3.10523 -1.09599 1.04098 1.09596 3.10520 -1.04101 -0.99832 0.99828 3.14158 -3.12882 -1.13221 1.01108 1.13219 3.12880 -1.01110 -0.99865 0.99864 3.14159 -3.13684 -1.13955 1.00340 1.13954 3.13683 -1.00341 3.14159 -1.04299 1.04299 1.00395 3.10255 -1.09465 -1.00395 1.09465 -3.10256 1.00158 -1.00160 3.14158 -1.12519 -3.12837 1.01481 3.12835 1.12517 -1.01483 -0.99814 0.99813 3.14159 1.14281 3.13908 -1.00065 -3.13910 -1.14282 1.00063 1.04347 3.14159 -1.04347 -1.09366 1.00447 3.10259 -3.10260 -1.00447 1.09365 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000007 0.000001 0.000623 0.000162 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.256570e-09 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 1 1 1 3 4 4 4 7 7 7 10 10 10 13 13 13 16 16 16 20 20 20 23 23 23 26 26 26 29 29 29 2 3 7 4 5 6 20 8 9 10 11 12 13 14 15 16 17 18 19 21 22 23 24 25 26 27 28 29 30 31 32 1.2097 1.3426 1.5002 1.4341 1.1026 1.1027 1.5049 1.1032 1.1032 1.5131 1.1034 1.1034 1.5184 1.1044 1.1044 1.5135 1.0992 1.1009 1.1009 1.1033 1.1033 1.5175 1.1052 1.1052 1.5189 1.1042 1.1042 1.5135 1.101 1.0993 1.101 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 2 2 3 1 3 3 3 5 5 6 1 1 1 8 8 9 7 7 7 11 11 12 10 10 10 14 14 15 13 13 13 17 17 18 4 4 4 21 21 22 20 20 20 24 24 25 23 23 23 27 27 28 26 26 26 30 30 31 1 1 1 3 4 4 4 4 4 4 7 7 7 7 7 7 10 10 10 10 10 10 13 13 13 13 13 13 16 16 16 16 16 16 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 29 29 29 29 29 29 3 7 7 4 5 6 20 6 20 20 8 9 10 9 10 10 11 12 13 12 13 13 14 15 16 15 16 16 17 18 19 18 19 19 21 22 23 22 23 23 24 25 26 25 26 26 27 28 29 28 29 29 30 31 32 31 32 32 123.2205 125.7163 111.0631 116.3383 109.1229 109.1239 108.434 106.4762 111.8155 111.8099 107.6614 107.6592 114.0004 104.2029 111.3784 111.3812 109.3286 109.327 113.1821 104.9671 109.8544 109.855 109.2587 109.2578 113.3176 105.064 109.8064 109.8059 112.0659 111.566 111.5655 107.2171 107.2167 106.9189 109.0442 109.0489 112.5256 105.8314 110.0816 110.0805 109.4989 109.4987 113.5744 105.1254 109.4001 109.3996 109.1585 109.1582 113.4499 105.105 109.8154 109.8151 111.6011 112.0633 111.6003 107.1781 106.9252 107.1773 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 D71 D72 D73 2 7 2 2 2 3 3 3 1 1 1 3 3 3 5 5 5 6 6 6 1 1 1 8 8 8 9 9 9 7 7 7 11 11 11 12 12 12 10 10 10 14 14 14 15 15 15 4 4 4 21 21 21 22 22 22 20 20 20 24 24 24 25 25 25 23 23 23 27 27 27 28 28 1 1 1 1 1 1 1 1 3 3 3 4 4 4 4 4 4 4 4 4 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 26 26 26 26 26 26 26 26 3 3 7 7 7 7 7 7 4 4 4 20 20 20 20 20 20 20 20 20 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 16 16 16 16 16 16 16 16 16 23 23 23 23 23 23 23 23 23 26 26 26 26 26 26 26 26 26 29 29 29 29 29 29 29 29 4 4 8 9 10 8 9 10 5 6 20 21 22 23 21 22 23 21 22 23 11 12 13 11 12 13 11 12 13 14 15 16 14 15 16 14 15 16 17 18 19 17 18 19 17 18 19 24 25 26 24 25 26 24 25 26 27 28 29 27 28 29 27 28 29 30 31 32 30 31 32 30 31 -0.0024 179.9974 124.0982 -124.088 0.0061 -55.9017 55.9122 180.0062 -57.9772 57.9955 180.0061 -57.5572 57.5626 180.0037 -177.9132 -62.7935 59.6476 62.7967 177.9165 -59.6425 -57.1962 57.2006 180.002 -179.265 -64.8682 57.9333 64.8718 179.2686 -57.93 -57.2196 57.2171 179.9982 -179.7294 -65.2927 57.4884 65.2886 179.7252 -57.4937 180.0009 -59.7574 59.7602 57.5221 177.7638 -62.7186 -57.5216 62.72 -177.7623 57.3851 -57.3885 179.9987 -64.4675 -179.241 58.1462 179.2428 64.4693 -58.1435 -57.1883 57.1891 180.0001 65.4798 179.8572 -57.3319 -179.8558 -65.4784 57.3326 59.7854 179.9997 -59.7876 -62.6631 57.5512 177.7639 -177.7666 -57.5523 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 280 A 268 A 268 440 280 48 48 690.3662691092 32 32 32 1.00e+00 60 F IExCor= 4134 DFT=T Ex+Corr=M06L ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0012074254 PCM SMD-Coulomb. Total charges None Matrix inversion TetraHydroFuran 7.425700 1.974025 0.000000 1.209725 0.000000 1.342560 2.246219 0.000000 2.359556 2.655675 1.434085 0.000000 2.630660 2.609683 2.075686 1.102647 0.000000 2.630809 2.609911 2.075705 1.102653 1.766731 0.000000 1.500192 2.415139 2.345371 3.681085 4.016808 4.016930 0.000000 2.114674 3.112000 2.562882 3.926627 4.165202 4.519449 1.103195 0.000000 2.114647 3.111927 2.562927 3.926672 4.519386 4.165258 1.103198 1.741064 0.000000 2.527148 2.850044 3.700554 4.885274 5.052359 5.052588 1.513069 2.173328 2.173366 0.000000 2.758378 2.778602 3.996680 5.024575 5.250668 4.947721 2.147556 3.078757 2.536043 1.103386 0.000000 2.758388 2.778706 3.996616 5.024511 4.947418 5.250926 2.147537 2.535954 3.078771 1.103388 1.750366 0.000000 3.880203 4.356511 4.875898 6.186804 6.419172 6.419353 2.530538 2.792103 2.792122 1.518377 2.158920 2.158930 0.000000 4.161022 4.781164 4.994868 6.349630 6.525336 6.758622 2.755552 2.559205 3.098667 2.152024 3.069784 2.520934 1.104352 0.000000 4.160974 4.781077 4.994865 6.349631 6.758453 6.525441 2.755519 3.098634 2.559190 2.152013 2.520939 3.069783 1.104352 1.753033 0.000000 5.059930 5.261844 6.195111 7.417095 7.551332 7.551562 3.885058 4.207059 4.207072 2.532875 2.769369 2.769420 1.513506 2.154763 2.154758 0.000000 5.994747 6.296878 7.047987 8.332765 8.508067 8.508268 4.704441 4.894424 4.894425 3.494449 3.783591 3.783639 2.179237 2.504732 2.504722 1.099247 0.000000 5.234567 5.283377 6.429352 7.566511 7.744258 7.540044 4.219835 4.779173 4.445312 2.810810 2.594108 3.134652 2.174283 3.083593 2.531304 1.100873 1.771059 0.000000 5.234613 5.283468 6.429360 7.566518 7.539818 7.744556 4.219860 4.445308 4.779206 2.810824 3.134609 2.594178 2.174277 2.531293 3.083584 1.100873 1.771053 1.768962 0.000000 3.633109 4.132709 2.384567 1.504891 2.171135 2.171071 4.712777 4.751865 4.751997 6.082639 6.307011 6.306867 7.237807 7.280195 7.280261 8.578729 9.415551 8.793463 8.793414 0.000000 3.880142 4.530775 2.605971 2.136688 3.073005 2.516567 4.762113 4.868953 4.543515 6.182069 6.351013 6.588951 7.223521 7.311843 7.097786 8.610211 9.388232 8.783309 8.958745 1.103279 0.000000 3.880195 4.530788 2.606085 2.136746 2.516693 3.073006 4.762174 4.543446 4.869214 6.182058 6.589075 6.350791 7.223538 7.097736 7.311978 8.610192 9.388232 8.958774 8.783193 1.103277 1.760278 0.000000 4.863903 5.089962 3.752386 2.513453 2.791559 2.791437 6.095971 6.184015 6.184108 7.380710 7.512295 7.512180 8.625430 8.706243 8.706287 9.906682 10.792147 10.062085 10.062054 1.517550 2.161003 2.160988 0.000000 5.023425 5.086417 4.056575 2.742759 3.108711 2.561779 6.332795 6.603045 6.367522 7.524204 7.493139 7.695312 8.828405 9.042498 8.870765 10.044127 10.965952 10.078910 10.231758 2.154991 2.521878 3.073956 1.105171 0.000000 5.023438 5.086397 4.056626 2.742783 2.561943 3.108633 6.332815 6.367510 6.603154 7.524165 7.695326 7.492981 8.828390 8.870754 9.042528 10.044080 10.965922 10.231698 10.078832 2.154990 3.073967 2.521871 1.105172 1.755055 0.000000 6.154789 6.519011 4.924936 3.878021 4.210733 4.210603 7.245913 7.217916 7.218051 8.622454 8.814284 8.814125 9.764117 9.763516 9.763599 11.118056 11.943257 11.322355 11.322289 2.540425 2.785384 2.785346 1.518904 2.154912 2.154905 0.000000 6.308248 6.783885 5.038104 4.165130 4.740411 4.401462 7.282764 7.298966 7.086937 8.698981 8.852777 9.024259 9.759533 9.792236 9.634127 11.149329 11.928550 11.322120 11.458181 2.764316 2.551421 3.097696 2.151082 2.515413 3.066647 1.104196 0.000000 6.308255 6.783863 5.038145 4.165142 4.401597 4.740309 7.282781 7.086821 7.299172 8.698945 9.024377 8.852527 9.759519 9.634031 9.792351 11.149285 11.928522 11.458202 11.321969 2.764317 3.097748 2.551381 2.151077 3.066648 2.515391 1.104195 1.753266 0.000000 7.396803 7.595811 6.247844 5.048665 5.215867 5.215724 8.591662 8.609602 8.609708 9.908121 10.034625 10.034490 11.121493 11.156303 11.156366 12.429051 13.295650 12.587145 12.587097 3.894579 4.197932 4.197899 2.535237 2.764718 2.764715 1.513505 2.154761 2.154756 0.000000 7.555202 7.649321 6.484504 5.219241 5.446558 5.151493 8.810988 8.962577 8.789145 10.067608 10.073625 10.226060 11.329540 11.468810 11.332839 12.590688 13.487556 12.653323 12.776359 4.229398 4.433530 4.771806 2.814382 2.589757 3.132377 2.174782 2.531551 3.083910 1.100957 0.000000 8.305341 8.586234 7.097909 5.987856 6.203089 6.202944 9.424148 9.382054 9.382182 10.790378 10.953702 10.953543 11.943334 11.931933 11.932018 13.292849 14.122453 13.481463 13.481394 4.714295 4.886788 4.886751 3.496322 3.778531 3.778528 2.179238 2.504957 2.504959 1.099292 1.770718 0.000000 7.555212 7.649313 6.484537 5.219257 5.151659 5.446445 8.811002 8.789094 8.962697 10.067580 10.226122 10.073458 11.329527 11.332798 11.468861 12.590650 13.487531 12.776338 12.653236 4.229398 4.771835 4.433497 2.814387 3.132392 2.589758 2.174774 3.083908 2.531518 1.100959 1.769170 1.770711 0.000000 C10H20O2 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 0 0 152.1058 AuxInfo=1/0/N:29,16,26,13,23,10,20,7,4,1,2,3/CRV:10.3,11.1/rA:32C3O1OCHHCHHCHHCHHCHHHCHHCHHCHHCHHH/rB:s1;s1;s3;s4;s4;s1;s7;s7;s7;s10;s10;s10;s13;s13;s13;s16;s16;s16;s4;s20;s20;s20;s23;s23;s23;s26;s26;s26;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 4.9291594 0.2051078 0.1990875 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 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 8778 NPrTT= 30106 LenC2= 7489 LenP2D= 18931. LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 268 RedAO= T EigKep= 9.25D-04 NBF= 268 NBsUse= 268 1.00D-06 EigRej= -1.00D+00 NBFU= 268 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= 273 273 273 273 273 MxSgAt= 32 MxSgA2= 32. 1 Closed 1 1 1 -543.132029718845 -543.132029719 1 5.376864912116e+02 -2.641941263552e+03 8.707644136322e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 7864320000 LenX= 7864154466 LenY= 7864075625 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= 32. Will process 33 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 7.4257, EpsInf= 1.9740) 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. Density fitting will be used, IDenFit= 2 NucTyp= 0. 9775 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 7864320000 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 0. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=T KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 5 NGrid= 0 NMat0= 99 NMatS0= 99 NMatT0= 0 NMatD0= 99 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. FoFJK: IHMeth= 1 ICntrl= 500 DoSepK=F KAlg= 0 I1Cent= 4 FoldK=F IRaf= 750000000 NMat= 99 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=0 IntGTp=1. There are 99 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 96 vectors produced by pass 0 Test12= 1.07D-14 1.01D-09 XBig12= 9.50D+01 2.66D+00. AX will form 96 AO Fock derivatives at one time. 96 vectors produced by pass 1 Test12= 1.07D-14 1.01D-09 XBig12= 1.81D+01 8.48D-01. 96 vectors produced by pass 2 Test12= 1.07D-14 1.01D-09 XBig12= 2.28D-01 6.26D-02. 96 vectors produced by pass 3 Test12= 1.07D-14 1.01D-09 XBig12= 1.53D-03 2.78D-03. 96 vectors produced by pass 4 Test12= 1.07D-14 1.01D-09 XBig12= 2.16D-06 1.34D-04. 53 vectors produced by pass 5 Test12= 1.07D-14 1.01D-09 XBig12= 1.05D-09 2.99D-06. 5 vectors produced by pass 6 Test12= 1.07D-14 1.01D-09 XBig12= 5.25D-13 7.78D-08. 1 vectors produced by pass 7 Test12= 1.07D-14 1.01D-09 XBig12= 2.72D-16 1.02D-09. InvSVY: IOpt=1 It= 1 EMax= 1.24D-14 Solved reduced A of dimension 539 with 99 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 142.79 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 166.150 -0.119 138.718 0.000 -0.001 123.511 168.383 -3.182 180.982 0.000 -0.002 155.471 (Enter /home/bremond/src/gaussian/g16-C.01/g16/l716.exe) PT3133.400S 2021-04-29T21:05:49.000+02:00 3.91340715e-01 -8.11004346e-01 1.69224844e-05 1.66150366e+02 -1.19282751e-01 1.38718472e+02 2.11767480e-04 -8.53863231e-04 1.23510813e+02 -14.6614 -0.0013 -0.0003 0.0011 2.2106 4.6848 22.1444 39.7211 47.0008 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 21.7229 39.6518 47.0008 51.7686 81.4411 112.7456 113.4712 126.3659 135.3152 197.6409 199.8342 226.6649 251.9178 253.4591 307.2341 335.9518 405.3019 465.4727 535.7012 575.4144 728.7917 729.6620 729.9376 762.7755 796.6956 848.0247 908.5641 918.2535 929.7685 967.2076 976.3118 1016.7191 1060.5349 1071.4365 1097.3922 1098.3361 1100.4037 1112.8651 1145.0659 1160.8682 1175.4667 1204.6652 1223.1409 1229.7916 1251.7029 1288.8039 1288.9158 1298.5922 1309.4616 1318.9692 1321.9923 1332.8443 1367.3918 1384.4214 1395.0773 1398.1243 1408.5952 1428.2697 1434.9024 1435.5054 1443.5830 1446.1444 1447.0555 1447.1588 1451.9203 1457.9152 1467.9847 1468.7661 1482.6145 1841.5756 3011.5374 3019.1836 3021.5524 3029.8655 3030.8805 3031.1047 3034.2673 3034.9965 3045.7859 3063.4758 3071.9063 3081.5844 3090.2846 3091.6272 3106.1196 3106.4683 3134.9122 3135.9066 3145.6601 3146.4604 2.9562 1.8646 3.9766 2.6457 2.4161 3.6311 2.5026 1.9021 1.8190 2.6234 3.4844 4.4942 1.1199 1.1343 3.5475 4.2070 3.2056 3.0913 3.6013 2.0805 1.1165 1.0676 5.3810 1.1074 1.3447 1.1803 1.7913 1.6130 1.3487 4.8697 1.1657 4.9364 2.8067 2.3227 2.1286 1.7823 1.7341 1.5968 2.9058 2.9141 1.7623 2.2823 1.4425 1.3462 1.3247 1.1966 1.7146 1.1834 1.0892 1.0579 1.0693 1.3935 1.5157 1.3097 1.3539 1.2552 1.6446 1.6636 1.0763 1.1426 1.3769 1.3966 1.0346 1.0345 1.1084 1.1186 1.1222 1.1427 1.1619 12.2035 1.0627 1.0626 1.0625 1.0493 1.0423 1.0528 1.0624 1.0602 1.0648 1.1000 1.1007 1.1037 1.1048 1.1023 1.1034 1.1062 1.1036 1.1035 1.1034 1.1035 0.0008 0.0017 0.0052 0.0042 0.0094 0.0272 0.0190 0.0179 0.0196 0.0604 0.0820 0.1360 0.0419 0.0429 0.1973 0.2798 0.3102 0.3946 0.6089 0.4059 0.3494 0.3349 1.6892 0.3796 0.5029 0.5001 0.8712 0.8013 0.6869 2.6841 0.6546 3.0065 1.8600 1.5710 1.5103 1.2668 1.2372 1.1651 2.2448 2.3138 1.4346 1.9515 1.2715 1.1996 1.2228 1.1711 1.6783 1.1758 1.1004 1.0843 1.1011 1.4585 1.6698 1.4790 1.5525 1.4456 1.9226 1.9995 1.3056 1.3873 1.6905 1.7209 1.2765 1.2764 1.3767 1.4009 1.4249 1.4524 1.5048 24.3844 5.6783 5.7069 5.7156 5.6756 5.6411 5.6989 5.7631 5.7536 5.8200 6.0822 6.1195 6.1750 6.2163 6.2079 6.2720 6.2898 6.3899 6.3939 6.4329 6.4367 0.1032 0.1104 0.1493 0.8057 0.1544 0.9656 0.0024 0.0394 1.7707 6.0701 2.1412 3.0350 0.0087 0.4183 3.8466 8.3190 6.5603 6.7343 1.0004 2.9344 15.7559 9.5346 7.2180 0.0034 2.5870 0.4585 1.2363 6.3231 7.9656 14.1721 2.6664 52.7167 0.9084 1.6510 16.9410 1.4705 1.4869 0.7811 44.6593 11.5168 1.5851 439.8148 0.4839 3.4463 5.9110 1.2690 166.3906 0.0221 0.5880 0.4320 0.0961 0.0754 109.0769 0.2720 77.0088 16.9257 10.4962 8.2988 0.4785 0.6285 28.4192 6.6663 9.7046 9.8830 2.2664 0.5125 13.3132 6.8901 16.1709 333.2686 24.9775 53.8268 96.4558 37.2147 58.1381 5.5419 52.8677 109.4950 40.5225 3.5208 12.2060 49.3907 15.7711 31.7001 0.3522 144.6020 54.1155 54.5481 40.7204 40.7262 0.00 0.00 -0.11 -0.00 0.00 -0.07 0.00 0.00 -0.14 0.00 0.00 -0.10 0.03 -0.01 -0.11 -0.03 0.01 -0.11 0.00 0.00 -0.15 -0.07 0.13 -0.26 0.07 -0.13 -0.26 -0.00 0.00 0.06 0.07 -0.12 0.15 -0.07 0.12 0.15 0.00 -0.00 0.02 -0.08 0.13 -0.08 0.08 -0.13 -0.08 -0.00 -0.00 0.24 -0.00 -0.00 0.21 0.08 -0.13 0.35 -0.08 0.13 0.35 0.00 0.00 -0.05 -0.04 0.01 -0.05 0.04 -0.01 -0.05 0.00 0.00 0.02 -0.05 0.01 0.01 0.05 -0.01 0.01 0.00 -0.00 0.10 -0.05 0.01 0.10 0.05 -0.01 0.10 0.00 -0.00 0.16 -0.05 0.01 0.16 0.00 -0.00 0.22 0.05 -0.01 0.16 0.00 -0.00 0.00 0.00 -0.00 0.03 -0.00 -0.00 -0.08 -0.00 -0.00 -0.07 -0.01 0.04 -0.03 0.01 -0.04 -0.03 -0.00 -0.00 0.07 0.02 -0.12 0.17 -0.02 0.12 0.17 0.00 -0.00 -0.04 0.00 0.15 -0.16 -0.00 -0.15 -0.16 -0.00 0.00 0.12 0.01 -0.16 0.24 -0.01 0.16 0.24 0.00 0.00 -0.03 -0.00 0.00 0.11 -0.00 0.17 -0.15 0.00 -0.17 -0.15 0.00 -0.00 -0.12 -0.04 -0.09 -0.19 0.04 0.09 -0.19 -0.00 -0.00 0.01 -0.03 -0.11 0.10 0.03 0.11 0.10 0.00 0.00 -0.06 -0.06 -0.14 -0.17 0.06 0.14 -0.17 -0.00 0.00 0.15 -0.05 -0.15 0.27 0.00 0.00 0.08 0.05 0.15 0.27 0.01 -0.13 0.00 0.04 -0.13 0.00 -0.01 -0.16 -0.00 -0.01 -0.15 -0.00 -0.02 -0.15 0.00 -0.02 -0.14 -0.00 -0.03 -0.08 -0.00 -0.07 -0.08 -0.00 -0.07 -0.08 0.00 0.02 0.01 0.00 0.07 0.01 -0.00 0.07 0.02 0.00 -0.07 0.11 -0.00 -0.13 0.11 -0.00 -0.13 0.11 0.00 0.00 0.24 -0.00 -0.07 0.32 -0.00 0.07 0.25 -0.00 0.07 0.25 0.00 0.02 -0.10 0.00 0.06 -0.10 0.00 0.06 -0.10 -0.00 -0.03 -0.00 -0.00 -0.08 0.00 -0.00 -0.08 0.00 0.00 0.06 0.11 0.00 0.13 0.10 0.00 0.13 0.10 0.00 -0.02 0.25 -0.00 -0.08 0.26 -0.00 0.06 0.34 0.00 -0.08 0.26 -0.00 -0.00 0.00 0.06 -0.00 0.00 0.20 0.00 0.00 -0.12 0.00 0.00 -0.14 0.02 -0.06 -0.19 -0.02 0.06 -0.19 0.00 0.00 0.06 0.01 -0.02 0.08 -0.01 0.02 0.08 -0.00 -0.00 0.04 -0.02 -0.01 0.04 0.02 0.01 0.04 0.00 -0.00 -0.01 0.04 -0.00 -0.00 -0.04 0.00 -0.00 0.00 -0.00 -0.07 0.00 -0.00 -0.11 -0.04 0.01 -0.08 0.04 -0.01 -0.08 -0.00 0.00 -0.04 0.00 0.10 0.04 -0.00 -0.10 0.04 0.00 0.00 -0.13 -0.05 0.19 -0.26 0.05 -0.19 -0.26 -0.00 -0.00 0.14 -0.03 0.22 0.31 0.03 -0.22 0.31 0.00 -0.00 0.01 -0.04 0.24 -0.16 -0.00 -0.00 0.23 0.04 -0.24 -0.16 0.00 -0.00 0.04 0.00 -0.00 -0.10 0.00 -0.00 0.09 -0.00 -0.00 -0.08 -0.07 -0.08 -0.13 0.07 0.08 -0.13 -0.00 0.00 0.15 -0.04 -0.01 0.15 0.04 0.01 0.15 0.00 0.00 0.18 -0.07 -0.15 0.30 0.07 0.15 0.30 0.00 -0.00 -0.09 0.08 0.17 -0.22 -0.08 -0.17 -0.21 0.00 0.00 -0.07 0.00 -0.00 -0.32 -0.09 -0.20 0.06 0.09 0.20 0.06 -0.00 -0.00 -0.07 0.00 0.02 -0.05 -0.00 -0.02 -0.05 -0.00 -0.00 -0.08 -0.01 0.00 -0.08 0.01 -0.00 -0.08 0.00 0.00 -0.06 -0.07 -0.07 -0.12 0.07 0.07 -0.12 -0.00 0.00 0.11 -0.07 -0.09 0.19 0.00 0.00 0.10 0.07 0.09 0.19 -0.02 -0.10 0.00 -0.12 -0.10 -0.00 0.04 0.01 0.00 -0.03 0.12 0.00 -0.08 0.12 0.00 -0.08 0.12 0.00 0.03 -0.17 -0.00 0.04 -0.16 -0.00 0.04 -0.16 0.00 0.04 -0.13 -0.00 0.09 -0.12 -0.01 0.09 -0.13 0.00 -0.05 -0.01 -0.00 -0.14 -0.02 -0.00 -0.14 -0.02 0.00 0.05 0.19 0.00 -0.06 0.32 0.00 0.16 0.21 -0.00 0.16 0.21 0.00 0.02 0.18 -0.00 0.03 0.17 -0.00 0.03 0.18 0.00 0.04 0.14 -0.00 0.08 0.14 0.00 0.08 0.13 -0.00 -0.05 0.03 0.00 -0.13 0.03 -0.00 -0.13 0.03 0.00 0.05 -0.16 0.00 0.15 -0.18 0.00 -0.05 -0.29 0.00 0.15 -0.18 -0.00 -0.00 -0.00 -0.03 -0.00 -0.00 0.01 0.00 0.00 -0.14 -0.00 0.00 -0.14 0.10 -0.15 -0.26 -0.10 0.15 -0.26 0.00 -0.00 0.04 -0.05 0.00 0.03 0.05 -0.00 0.03 0.00 -0.00 0.11 0.00 -0.07 0.16 -0.00 0.07 0.16 -0.00 -0.00 0.03 0.06 0.01 0.02 -0.06 -0.01 0.02 0.00 0.00 -0.06 -0.00 0.00 -0.13 -0.06 -0.00 -0.07 0.07 0.00 -0.07 0.00 0.00 0.14 -0.11 0.12 0.22 0.11 -0.11 0.22 0.00 0.00 0.20 0.04 -0.12 0.29 -0.04 0.12 0.29 -0.00 0.00 -0.02 0.09 -0.10 -0.09 -0.09 0.10 -0.09 0.00 -0.00 -0.09 0.12 -0.13 -0.01 -0.00 -0.00 -0.31 -0.12 0.13 -0.01 0.00 0.00 -0.04 0.00 0.00 -0.04 -0.00 0.00 0.00 0.00 -0.00 0.07 -0.02 0.11 0.15 0.02 -0.11 0.15 0.00 0.00 -0.10 -0.08 0.19 -0.26 0.08 -0.19 -0.26 -0.00 0.00 0.16 0.09 -0.13 0.27 -0.09 0.13 0.27 -0.00 0.00 0.13 0.10 -0.09 0.20 -0.10 0.09 0.20 -0.00 -0.00 -0.12 -0.00 -0.00 -0.07 -0.09 0.17 -0.26 0.09 -0.17 -0.26 -0.00 -0.00 -0.07 0.01 -0.11 -0.15 -0.01 0.11 -0.15 -0.00 -0.00 0.00 -0.04 -0.01 0.01 0.04 0.01 0.01 0.00 -0.00 0.04 0.01 0.05 0.08 -0.01 -0.05 0.08 -0.00 0.00 -0.01 -0.01 0.09 -0.08 0.00 0.00 0.06 0.01 -0.09 -0.08 0.00 0.00 0.01 0.00 0.00 0.05 -0.00 0.00 0.05 -0.00 -0.00 -0.02 0.02 -0.14 -0.13 -0.02 0.14 -0.13 0.00 0.00 -0.11 -0.00 0.13 -0.21 0.00 -0.13 -0.21 -0.00 0.00 -0.00 0.05 -0.02 0.02 -0.05 0.02 0.02 0.00 0.00 0.05 0.01 -0.07 0.10 -0.01 0.07 0.10 -0.00 -0.00 -0.02 0.00 -0.00 0.08 0.01 0.11 -0.11 -0.01 -0.11 -0.11 0.00 -0.00 0.14 0.06 0.21 0.30 -0.06 -0.21 0.30 -0.00 0.00 -0.12 0.09 0.13 -0.22 -0.09 -0.13 -0.22 -0.00 0.00 -0.11 -0.07 -0.08 -0.17 0.07 0.08 -0.17 0.00 -0.00 0.08 -0.05 -0.16 0.20 -0.00 -0.00 0.00 0.05 0.16 0.20 -0.00 0.00 0.09 -0.00 0.00 0.04 0.00 0.00 0.22 0.00 0.00 -0.19 -0.16 -0.25 -0.38 0.16 0.25 -0.38 0.00 -0.00 -0.09 0.05 0.15 -0.20 -0.05 -0.16 -0.20 0.00 -0.00 -0.05 0.02 -0.01 -0.04 -0.02 0.01 -0.04 0.00 -0.00 -0.01 -0.02 -0.03 0.01 0.02 0.03 0.01 0.00 0.00 0.01 0.00 0.00 0.16 0.07 0.11 -0.06 -0.07 -0.11 -0.06 -0.00 -0.00 -0.12 -0.11 -0.02 -0.14 0.11 0.02 -0.14 -0.00 -0.00 0.09 -0.07 -0.13 0.19 0.07 0.13 0.19 -0.00 -0.00 0.04 0.04 -0.00 0.04 -0.04 0.00 0.04 -0.00 0.00 -0.03 0.03 0.04 -0.06 -0.00 0.00 -0.03 -0.03 -0.04 -0.06 -0.01 0.07 -0.00 -0.11 0.07 -0.00 0.01 0.13 -0.00 0.03 0.06 0.00 0.09 0.06 -0.00 0.08 0.06 0.01 0.10 -0.05 0.00 0.16 -0.04 -0.00 0.17 -0.04 0.00 0.08 -0.13 0.00 0.07 -0.12 -0.00 0.07 -0.12 0.00 0.06 -0.09 0.00 0.00 -0.09 -0.00 0.00 -0.09 0.00 0.16 0.10 -0.00 0.04 0.24 -0.00 0.28 0.12 -0.00 0.28 0.12 0.00 -0.09 -0.07 0.00 -0.16 -0.06 0.00 -0.17 -0.06 -0.00 -0.06 -0.16 -0.00 -0.05 -0.15 -0.01 -0.05 -0.16 0.00 -0.03 -0.10 -0.00 0.05 -0.10 0.00 0.05 -0.10 -0.01 -0.15 0.11 0.00 -0.28 0.14 -0.00 -0.01 0.28 0.00 -0.28 0.14 0.00 -0.07 0.05 0.00 -0.17 0.05 0.00 -0.01 0.11 0.00 0.08 0.03 -0.00 0.12 0.02 -0.00 0.12 0.02 0.00 -0.06 -0.02 0.00 -0.03 -0.01 0.00 -0.03 -0.01 -0.00 -0.13 -0.08 -0.00 -0.14 -0.08 -0.00 -0.14 -0.08 0.00 -0.18 -0.04 -0.00 -0.23 -0.04 -0.00 -0.23 -0.04 0.00 -0.16 0.04 -0.00 -0.19 0.08 -0.00 -0.13 0.04 0.00 -0.13 0.04 -0.00 0.08 -0.04 0.00 0.04 -0.04 -0.00 0.04 -0.04 0.00 0.17 -0.12 -0.00 0.18 -0.11 -0.00 0.18 -0.11 0.00 0.24 -0.06 -0.00 0.31 -0.06 0.00 0.31 -0.06 -0.00 0.20 0.05 -0.00 0.15 0.06 0.00 0.25 0.12 -0.00 0.15 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 0.01 -0.02 -0.02 -0.01 0.02 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.01 0.01 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.02 -0.02 0.01 0.02 0.02 0.01 0.00 -0.00 0.03 -0.01 0.02 0.04 0.01 -0.02 0.04 0.00 -0.00 0.04 0.04 -0.09 0.10 -0.04 0.09 0.10 0.00 0.00 -0.09 -0.01 -0.09 -0.15 0.01 0.09 -0.15 0.00 0.00 0.02 -0.29 0.37 -0.22 0.00 -0.00 0.59 0.29 -0.37 -0.22 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.02 0.00 0.00 0.01 0.01 0.02 0.02 -0.01 -0.02 0.02 -0.00 -0.00 0.04 -0.01 -0.02 0.05 0.01 0.02 0.05 0.00 0.00 0.04 -0.04 -0.09 0.11 0.04 0.09 0.11 0.00 -0.00 -0.09 -0.01 0.09 -0.16 0.01 -0.09 -0.16 0.00 0.00 0.02 -0.00 0.00 0.58 0.28 0.37 -0.22 -0.28 -0.37 -0.22 0.00 -0.00 0.01 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 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.01 -0.01 0.00 0.00 0.00 -0.02 0.02 -0.01 0.00 0.00 0.04 0.02 -0.02 -0.01 0.02 0.12 0.00 0.19 0.13 -0.00 -0.04 -0.01 0.00 0.00 -0.10 -0.00 0.03 -0.10 0.00 0.03 -0.10 -0.00 0.02 0.08 -0.00 0.12 0.08 0.01 0.12 0.08 -0.01 -0.10 -0.17 0.00 -0.21 -0.17 -0.00 -0.21 -0.17 0.00 -0.11 -0.19 0.00 -0.19 -0.19 -0.01 -0.19 -0.19 0.01 0.03 0.09 -0.00 -0.16 0.32 -0.00 0.21 0.12 -0.00 0.21 0.12 0.00 0.02 -0.07 -0.00 0.08 -0.07 0.00 0.08 -0.07 -0.00 -0.06 0.08 0.00 -0.12 0.08 0.00 -0.12 0.08 -0.00 -0.04 0.10 0.00 -0.08 0.10 -0.01 -0.08 0.10 0.01 0.04 -0.05 -0.00 0.15 -0.07 0.00 -0.07 -0.19 -0.00 0.15 -0.07 -0.00 0.11 -0.04 -0.00 0.23 -0.03 0.00 0.13 -0.01 -0.00 0.05 0.15 0.00 -0.01 0.14 -0.00 -0.01 0.14 0.00 0.04 -0.02 0.00 0.06 -0.03 0.00 0.06 -0.03 -0.00 -0.05 -0.08 0.00 -0.05 -0.07 -0.00 -0.05 -0.07 0.00 -0.16 -0.01 -0.00 -0.21 -0.02 0.00 -0.21 -0.02 -0.00 -0.19 0.01 -0.00 -0.16 -0.02 0.00 -0.22 0.00 0.00 -0.22 0.00 -0.00 0.01 0.14 0.00 -0.05 0.14 -0.00 -0.05 0.14 0.00 0.06 -0.03 -0.00 0.17 -0.04 -0.00 0.17 -0.04 0.00 -0.05 -0.15 -0.00 -0.04 -0.13 0.01 -0.04 -0.13 -0.01 -0.18 0.05 0.00 -0.34 0.08 -0.01 -0.00 0.26 0.00 -0.34 0.08 0.01 -0.06 -0.03 -0.00 0.08 -0.03 -0.00 -0.09 -0.10 0.00 -0.15 0.06 0.00 -0.26 0.06 0.00 -0.26 0.06 -0.00 -0.12 0.09 -0.00 -0.16 0.07 0.00 -0.16 0.07 -0.00 -0.09 0.05 -0.00 -0.19 0.03 0.01 -0.19 0.03 -0.01 0.07 -0.11 0.00 0.11 -0.09 -0.01 0.11 -0.09 0.01 0.17 0.01 0.00 0.02 0.19 -0.00 0.31 0.05 -0.01 0.31 0.05 0.01 -0.04 0.15 -0.00 -0.09 0.14 -0.01 -0.09 0.14 0.01 0.10 -0.05 -0.00 0.20 -0.05 -0.00 0.20 -0.05 0.00 0.10 -0.11 -0.00 0.14 -0.10 0.01 0.14 -0.10 -0.01 0.04 0.03 0.00 -0.06 0.05 -0.00 0.14 0.16 0.00 -0.06 0.05 0.00 -0.02 0.01 -0.00 -0.12 0.01 0.00 0.01 -0.01 0.00 0.12 -0.12 -0.00 0.14 -0.12 0.00 0.14 -0.12 -0.00 -0.06 0.06 -0.00 -0.10 0.05 0.00 -0.10 0.05 -0.00 -0.07 0.04 -0.00 -0.13 0.04 0.00 -0.13 0.04 -0.00 0.01 -0.05 0.00 0.03 -0.04 -0.00 0.03 -0.04 0.00 0.05 0.00 0.00 -0.02 0.09 -0.00 0.12 0.02 -0.00 0.12 0.02 0.00 0.22 0.00 -0.00 0.37 -0.01 0.00 0.37 -0.01 -0.00 0.12 0.12 0.00 0.19 0.10 0.01 0.19 0.10 -0.01 -0.08 -0.07 -0.00 -0.16 -0.05 0.01 -0.16 -0.05 -0.01 -0.17 -0.01 0.00 -0.31 0.02 -0.01 -0.04 0.15 0.00 -0.31 0.02 0.01 0.06 -0.12 -0.00 -0.01 -0.13 0.00 0.18 0.07 0.00 0.16 0.13 -0.00 0.23 0.12 -0.01 0.23 0.12 0.01 -0.13 0.07 -0.00 -0.28 0.04 0.01 -0.28 0.04 -0.01 -0.16 0.11 -0.00 -0.27 0.09 0.01 -0.27 0.09 -0.01 -0.01 -0.09 0.00 0.05 -0.07 -0.01 0.05 -0.07 0.01 0.07 -0.00 0.00 -0.07 0.16 -0.00 0.20 0.03 -0.01 0.20 0.03 0.01 -0.04 -0.08 0.00 -0.15 -0.05 0.01 -0.15 -0.05 -0.01 -0.10 -0.05 0.00 -0.20 -0.04 -0.00 -0.20 -0.04 0.00 -0.03 0.08 0.00 -0.01 0.07 -0.01 -0.01 0.07 0.01 0.02 -0.00 -0.00 0.12 -0.03 0.00 -0.08 -0.13 -0.00 0.12 -0.03 -0.00 0.00 -0.00 0.25 0.00 -0.00 -0.10 0.00 0.00 -0.10 0.00 0.00 -0.00 0.05 0.08 0.05 -0.05 -0.08 0.05 -0.00 0.00 0.09 0.14 0.53 -0.31 -0.14 -0.53 -0.31 -0.00 0.00 -0.02 -0.10 0.14 -0.13 0.10 -0.14 -0.13 0.00 -0.00 -0.01 -0.00 -0.03 0.01 0.00 0.03 0.01 0.00 -0.00 0.00 -0.00 0.00 0.02 0.02 -0.01 0.01 -0.02 0.01 0.01 -0.00 -0.00 0.01 -0.01 0.00 0.01 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.06 0.00 0.00 -0.02 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.02 0.01 -0.00 -0.02 0.01 -0.00 -0.00 -0.01 0.13 -0.09 0.07 -0.13 0.09 0.07 -0.00 -0.00 -0.05 -0.03 -0.38 0.23 0.03 0.38 0.23 0.00 0.00 -0.06 -0.00 -0.40 0.25 0.00 0.40 0.25 0.00 -0.00 -0.01 0.00 -0.00 0.07 0.14 -0.12 0.10 -0.14 0.12 0.10 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.03 -0.06 -0.04 -0.03 0.06 -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 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 -0.09 -0.21 -0.15 0.09 0.21 -0.15 0.00 0.00 0.05 -0.00 0.38 -0.24 0.00 -0.38 -0.24 -0.00 -0.00 0.05 0.01 -0.36 -0.22 -0.01 0.36 -0.22 -0.00 -0.00 0.01 0.12 0.11 -0.09 0.00 0.00 -0.06 -0.12 -0.11 -0.09 0.19 0.01 0.00 -0.24 -0.02 -0.00 0.14 -0.23 -0.00 -0.07 -0.04 -0.00 -0.20 -0.04 -0.00 -0.20 -0.04 0.00 0.24 0.30 -0.00 0.34 0.28 0.03 0.34 0.28 -0.03 0.02 0.03 -0.00 -0.14 0.03 -0.01 -0.14 0.03 0.01 -0.05 -0.08 -0.00 -0.10 -0.08 -0.00 -0.10 -0.08 0.00 -0.08 0.02 -0.00 -0.14 0.10 0.00 -0.03 0.03 -0.00 -0.03 0.04 0.00 -0.06 0.07 0.00 -0.14 0.07 -0.01 -0.14 0.07 0.01 -0.04 -0.03 0.00 -0.03 -0.03 -0.00 -0.03 -0.03 0.00 0.00 -0.00 0.00 0.04 -0.01 -0.00 0.04 -0.01 0.00 0.02 0.01 0.00 0.04 0.00 0.00 0.00 -0.02 -0.00 0.04 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.03 0.13 -0.24 -0.15 -0.13 0.24 -0.15 -0.00 -0.00 0.00 -0.00 0.02 -0.01 0.00 -0.02 -0.01 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.02 0.01 -0.01 0.02 0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.01 0.01 -0.01 0.01 0.01 0.00 -0.00 0.07 -0.02 -0.38 -0.23 0.02 0.38 -0.23 0.00 -0.00 0.01 0.17 0.07 -0.05 -0.17 -0.07 -0.05 -0.00 0.00 -0.06 0.08 0.26 0.15 -0.08 -0.26 0.15 -0.00 -0.00 -0.02 -0.18 -0.13 0.10 -0.00 -0.00 0.11 0.18 0.13 0.10 0.00 0.00 0.12 -0.00 0.00 -0.03 0.00 -0.00 -0.02 -0.00 -0.00 -0.01 0.01 0.02 0.01 -0.01 -0.02 0.01 0.00 -0.00 -0.06 0.24 -0.20 0.12 -0.24 0.20 0.12 0.00 -0.00 -0.06 0.19 -0.23 0.13 -0.19 0.23 0.13 -0.00 0.00 0.07 -0.19 0.25 -0.14 0.19 -0.25 -0.14 -0.00 0.00 0.04 -0.00 -0.00 -0.17 -0.27 0.18 -0.13 0.27 -0.18 -0.13 -0.00 0.00 0.00 -0.02 -0.02 -0.01 0.02 0.02 -0.01 -0.00 -0.00 0.00 0.01 0.02 -0.01 -0.01 -0.02 -0.01 0.00 -0.00 -0.00 0.01 0.02 0.01 -0.01 -0.02 0.01 0.00 0.00 -0.00 -0.02 -0.01 0.01 0.00 -0.00 0.01 0.02 0.01 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.00 0.00 -0.07 -0.15 0.29 0.15 0.15 -0.29 0.15 0.00 0.00 -0.00 -0.02 -0.01 0.00 0.02 0.01 0.00 0.00 0.00 0.00 -0.00 0.02 -0.01 0.00 -0.02 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.02 -0.01 0.01 -0.02 0.01 0.01 -0.00 -0.00 -0.02 -0.25 0.13 0.06 0.25 -0.13 0.06 0.00 0.00 0.08 0.04 0.28 -0.13 -0.04 -0.28 -0.13 0.00 0.00 -0.03 0.24 0.09 0.05 -0.24 -0.09 0.05 -0.00 0.00 -0.04 -0.25 -0.17 0.11 0.00 -0.00 0.16 0.25 0.17 0.11 0.01 -0.02 -0.00 0.01 -0.03 0.00 0.00 0.07 -0.00 -0.03 -0.03 -0.00 0.03 -0.03 0.00 0.03 -0.03 -0.00 0.03 -0.01 0.00 0.01 -0.01 -0.00 0.01 -0.01 0.00 0.03 0.06 -0.00 0.07 0.06 0.00 0.07 0.06 -0.00 -0.00 -0.05 0.00 0.09 -0.04 0.00 0.09 -0.04 -0.00 -0.07 -0.02 0.00 -0.27 0.22 -0.00 0.12 0.05 -0.02 0.12 0.05 0.02 -0.05 -0.03 0.00 0.00 -0.03 0.00 0.00 -0.03 -0.00 -0.06 0.12 0.00 -0.13 0.12 0.01 -0.13 0.12 -0.01 0.01 -0.09 -0.00 -0.18 -0.08 -0.00 -0.18 -0.08 0.00 0.12 -0.04 -0.00 -0.23 0.09 -0.05 0.52 0.44 -0.00 -0.23 0.09 0.05 0.01 0.00 0.00 -0.01 0.00 -0.00 0.03 -0.02 -0.00 0.02 0.00 -0.00 0.03 -0.00 -0.00 0.03 -0.00 0.00 -0.03 0.04 -0.00 -0.01 0.03 0.01 -0.01 0.03 -0.01 -0.07 -0.10 0.00 -0.17 -0.11 -0.00 -0.17 -0.11 0.00 0.00 0.08 -0.00 -0.19 0.07 -0.00 -0.19 0.07 0.00 0.12 0.05 -0.00 0.52 -0.42 0.00 -0.23 -0.09 0.05 -0.23 -0.09 -0.05 -0.02 -0.01 0.00 -0.03 -0.00 0.00 -0.03 -0.00 -0.00 -0.04 0.05 0.00 -0.09 0.05 0.00 -0.09 0.05 -0.00 0.00 -0.05 -0.00 -0.10 -0.04 -0.00 -0.10 -0.04 0.00 0.07 -0.02 -0.00 -0.12 0.05 -0.03 0.28 0.23 -0.00 -0.12 0.05 0.03 -0.00 -0.00 -0.10 -0.00 0.00 0.02 0.00 -0.00 0.02 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.10 -0.11 0.24 -0.10 0.11 -0.24 -0.10 -0.00 -0.00 -0.06 -0.29 -0.20 0.07 0.29 0.20 0.07 0.00 0.00 -0.02 -0.34 -0.10 0.02 0.34 0.10 0.02 0.00 0.00 0.07 0.00 -0.00 -0.19 -0.29 0.19 -0.11 0.29 -0.19 -0.11 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.01 0.01 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.06 0.16 -0.00 -0.06 0.26 -0.00 0.12 -0.26 0.00 0.13 0.01 0.00 0.01 -0.02 -0.02 0.01 -0.02 0.02 -0.13 -0.23 0.00 -0.31 -0.24 -0.02 -0.31 -0.24 0.02 -0.04 0.02 -0.00 0.12 0.03 0.01 0.12 0.03 -0.01 -0.01 0.03 -0.00 0.14 0.05 0.00 0.14 0.05 -0.00 -0.00 -0.05 0.00 -0.17 0.16 -0.00 0.19 0.01 -0.02 0.19 0.01 0.02 -0.02 0.10 -0.00 -0.17 0.13 0.01 -0.17 0.13 -0.01 -0.09 -0.02 0.00 -0.15 -0.01 -0.00 -0.15 -0.01 0.00 -0.03 -0.03 0.00 -0.07 -0.04 -0.00 -0.07 -0.04 0.00 0.07 0.00 -0.00 -0.01 0.04 -0.02 0.17 0.13 0.00 -0.01 0.04 0.02 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.00 -0.00 0.07 0.08 -0.22 -0.10 -0.08 0.22 -0.10 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.06 0.30 0.11 0.06 -0.29 -0.11 0.06 0.00 0.00 0.01 -0.35 0.06 -0.01 0.35 -0.06 -0.01 0.00 0.00 0.05 0.29 -0.15 -0.05 -0.29 0.15 -0.05 -0.00 0.00 -0.06 -0.22 -0.16 0.09 -0.00 -0.00 0.16 0.22 0.16 0.09 -0.15 -0.03 0.00 0.01 -0.03 0.00 -0.22 -0.19 0.00 0.27 0.27 -0.00 0.17 0.20 -0.04 0.17 0.20 0.04 -0.03 0.15 -0.00 0.13 0.18 -0.00 0.13 0.18 0.00 0.12 -0.07 0.00 0.20 -0.06 -0.01 0.20 -0.06 0.01 0.06 -0.04 0.00 0.08 -0.06 0.01 0.08 -0.06 -0.01 -0.08 0.03 -0.00 -0.12 0.08 -0.00 -0.09 0.05 -0.01 -0.09 0.05 0.01 0.08 -0.07 -0.00 -0.11 -0.01 0.02 -0.11 -0.01 -0.02 0.01 -0.02 -0.00 -0.18 -0.02 0.00 -0.18 -0.02 -0.00 -0.02 0.05 0.00 -0.20 0.06 -0.00 -0.20 0.06 0.00 0.03 -0.04 -0.00 -0.15 0.03 -0.03 0.20 0.17 0.00 -0.15 0.03 0.03 0.03 0.01 0.00 -0.01 0.03 -0.00 0.02 -0.04 -0.00 -0.03 0.05 0.00 -0.09 0.05 -0.00 -0.09 0.05 0.00 0.02 -0.04 0.00 0.04 -0.04 0.00 0.04 -0.04 -0.00 -0.04 0.02 -0.00 -0.02 0.03 -0.00 -0.02 0.03 0.00 -0.04 0.03 -0.00 -0.04 0.04 -0.00 -0.04 0.04 0.00 0.03 -0.04 0.00 -0.00 0.01 -0.00 0.11 -0.02 -0.00 0.11 -0.02 0.00 -0.08 -0.14 -0.00 -0.33 -0.13 -0.01 -0.33 -0.13 0.01 0.16 0.08 -0.00 0.05 0.11 -0.01 0.05 0.11 0.01 0.16 0.15 0.00 0.10 0.18 0.01 0.10 0.18 -0.01 -0.12 -0.15 -0.00 -0.44 -0.08 -0.02 0.03 0.05 -0.00 -0.44 -0.08 0.02 0.04 0.01 -0.00 -0.01 0.02 -0.00 0.06 0.02 -0.00 -0.03 -0.05 -0.00 0.00 -0.04 0.00 0.00 -0.04 -0.00 -0.09 0.04 -0.00 -0.42 0.00 -0.00 -0.42 0.00 0.00 0.10 -0.07 0.00 -0.02 -0.11 0.02 -0.02 -0.11 -0.02 0.17 -0.12 0.00 0.18 -0.14 0.01 0.18 -0.14 -0.01 -0.11 0.14 -0.00 0.02 -0.03 -0.00 -0.40 0.07 0.02 -0.40 0.07 -0.02 -0.05 -0.00 0.00 -0.09 -0.00 -0.00 -0.09 -0.00 0.00 0.02 0.04 0.00 0.04 0.05 -0.00 0.04 0.05 0.00 0.05 0.01 -0.00 0.10 0.01 0.00 0.10 0.01 -0.00 -0.03 -0.02 0.00 -0.06 -0.03 0.00 -0.04 -0.03 -0.00 -0.06 -0.03 -0.00 0.02 0.01 0.00 -0.01 0.02 -0.00 0.05 0.00 -0.00 -0.13 0.09 0.00 -0.34 0.14 0.03 -0.34 0.14 -0.03 0.02 -0.04 0.00 0.03 -0.05 0.01 0.03 -0.05 -0.01 -0.06 -0.01 -0.00 -0.17 -0.03 0.01 -0.17 -0.03 -0.01 0.07 0.01 0.00 0.19 0.02 -0.00 0.19 0.02 0.00 -0.04 0.03 -0.00 -0.03 0.02 -0.00 -0.08 0.03 -0.00 -0.08 0.03 0.00 0.14 -0.08 -0.00 0.21 -0.11 -0.02 0.21 -0.11 0.02 0.04 -0.13 -0.00 -0.08 -0.13 0.01 -0.08 -0.13 -0.01 -0.07 0.08 0.00 -0.32 0.10 -0.01 -0.32 0.10 0.01 0.05 -0.02 -0.00 -0.08 0.05 -0.03 0.18 0.14 -0.00 -0.08 0.05 0.03 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.03 -0.00 0.07 -0.05 -0.01 0.07 -0.05 0.01 -0.01 0.00 -0.00 -0.06 -0.00 -0.00 -0.06 -0.00 0.00 0.02 0.01 0.00 0.03 0.01 -0.00 0.03 0.01 0.00 -0.01 -0.01 -0.00 -0.06 -0.02 0.00 -0.06 -0.02 -0.00 0.01 -0.00 0.00 0.02 -0.02 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.11 -0.06 0.00 -0.29 -0.05 -0.01 -0.29 -0.05 0.01 0.15 0.00 -0.00 0.42 -0.03 0.00 0.42 -0.03 -0.00 -0.14 0.01 0.00 -0.38 0.04 0.00 -0.38 0.04 -0.00 0.07 0.07 0.00 0.17 0.07 -0.01 0.04 0.03 0.00 0.17 0.07 0.01 0.04 0.00 0.00 -0.01 0.02 -0.00 0.01 0.01 -0.00 -0.05 0.03 0.00 -0.14 0.05 0.01 -0.14 0.05 -0.01 -0.05 0.04 -0.00 -0.33 0.02 -0.01 -0.33 0.02 0.01 0.15 0.05 0.00 0.29 0.08 -0.01 0.29 0.07 0.01 -0.12 -0.07 -0.00 -0.42 -0.11 0.00 -0.42 -0.11 -0.00 0.06 -0.02 0.00 0.13 -0.10 0.00 0.03 -0.07 0.03 0.03 -0.07 -0.03 0.06 -0.02 -0.00 0.11 -0.03 -0.00 0.11 -0.03 0.00 -0.01 -0.04 -0.00 -0.08 -0.04 0.00 -0.08 -0.04 -0.00 -0.01 0.02 0.00 -0.05 0.02 -0.00 -0.05 0.02 0.00 0.01 -0.01 -0.00 -0.05 0.01 -0.01 0.05 0.04 0.00 -0.05 0.01 0.01 -0.00 0.00 0.13 0.00 0.00 -0.03 -0.00 -0.00 -0.02 0.00 0.00 -0.00 0.02 0.01 0.00 -0.02 -0.01 0.00 0.00 -0.00 -0.13 -0.40 -0.28 0.06 0.40 0.28 0.06 -0.00 0.00 0.09 -0.30 0.18 -0.07 0.30 -0.18 -0.07 0.00 -0.00 -0.08 -0.13 -0.20 0.06 0.13 0.20 0.06 -0.00 0.00 0.06 0.00 -0.00 -0.13 -0.15 0.12 -0.06 0.15 -0.12 -0.06 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.03 0.00 -0.00 0.00 0.02 0.00 -0.10 -0.02 0.00 0.07 0.02 -0.00 0.02 -0.00 -0.01 0.02 -0.00 0.01 0.14 -0.17 0.00 0.10 -0.17 -0.01 0.10 -0.17 0.01 -0.03 0.24 -0.00 -0.30 0.21 0.01 -0.30 0.21 -0.01 0.01 -0.18 0.00 -0.17 -0.18 -0.01 -0.17 -0.18 0.01 0.03 0.11 -0.00 0.26 -0.19 0.00 -0.35 -0.04 0.06 -0.35 -0.04 -0.06 0.00 0.02 0.00 -0.03 0.03 0.01 -0.03 0.03 -0.01 -0.01 -0.00 -0.00 -0.03 0.00 -0.00 -0.03 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.06 -0.01 0.00 0.01 -0.03 0.00 0.00 0.06 0.00 0.05 -0.17 -0.00 0.20 -0.19 -0.00 0.20 -0.19 0.00 -0.01 0.02 -0.00 0.09 0.04 -0.00 0.09 0.04 0.00 0.01 0.00 0.00 0.05 0.01 -0.00 0.05 0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.22 0.00 -0.18 0.23 -0.01 -0.18 0.23 0.01 0.00 -0.19 -0.00 -0.03 -0.18 -0.01 -0.03 -0.18 0.01 0.00 0.18 0.00 -0.14 0.19 -0.01 -0.14 0.19 0.01 0.03 -0.11 -0.00 -0.33 0.04 -0.06 0.24 0.17 -0.00 -0.33 0.04 0.06 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.04 -0.00 -0.00 0.14 -0.24 -0.34 -0.12 0.24 0.34 -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 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.13 -0.08 0.28 0.08 0.08 -0.28 0.08 0.00 -0.00 0.11 0.10 0.23 -0.07 -0.10 -0.23 -0.07 -0.00 0.00 -0.11 -0.02 0.22 0.07 0.02 -0.22 0.07 0.00 -0.00 0.07 0.16 0.15 -0.06 0.00 0.00 -0.16 -0.16 -0.15 -0.06 0.21 -0.02 -0.00 -0.02 -0.02 0.00 -0.16 0.04 0.00 0.07 -0.01 -0.00 -0.11 -0.04 -0.01 -0.11 -0.04 0.01 0.10 0.01 0.00 -0.48 -0.10 0.02 -0.48 -0.10 -0.02 0.03 -0.06 0.00 -0.36 -0.09 -0.00 -0.36 -0.09 0.00 0.02 0.10 -0.00 -0.05 0.08 0.01 -0.05 0.08 -0.01 -0.02 -0.06 0.00 -0.13 0.09 -0.00 0.15 0.04 -0.04 0.15 0.04 0.04 0.01 0.03 -0.00 -0.03 0.06 0.01 -0.03 0.06 -0.01 -0.00 -0.02 0.00 -0.04 -0.02 0.00 -0.04 -0.02 -0.00 0.00 0.01 -0.00 -0.02 0.02 -0.00 -0.02 0.01 0.00 0.00 -0.01 0.00 -0.03 0.00 -0.00 0.01 0.01 -0.00 -0.03 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.41 -0.04 -0.01 0.41 0.04 -0.01 0.00 -0.00 -0.09 -0.25 -0.19 0.04 0.25 0.19 0.04 -0.00 0.00 0.14 -0.19 0.25 -0.07 0.19 -0.25 -0.07 0.00 -0.00 -0.10 -0.00 0.00 0.23 0.19 -0.21 0.08 -0.19 0.21 0.08 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.01 0.01 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.04 0.00 -0.00 0.08 -0.35 -0.19 -0.06 0.35 0.19 -0.06 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -0.01 0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.01 -0.31 0.04 0.00 0.31 -0.04 0.00 -0.00 -0.00 -0.06 0.23 -0.14 0.03 -0.23 0.14 0.03 -0.00 0.00 0.11 -0.19 -0.19 -0.06 0.19 0.19 -0.06 0.00 -0.00 -0.09 -0.16 -0.17 0.06 0.00 0.00 0.19 0.16 0.17 0.06 0.01 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.03 0.00 -0.02 0.05 -0.00 0.19 0.01 -0.03 0.19 0.01 0.03 0.01 -0.00 0.00 -0.04 -0.01 0.00 -0.04 -0.01 -0.00 0.01 0.00 0.00 -0.05 -0.01 0.00 -0.05 -0.01 -0.00 0.00 0.01 -0.00 -0.02 0.00 0.00 -0.02 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.00 0.01 0.00 -0.01 0.01 0.00 0.01 -0.09 -0.02 0.00 0.42 -0.04 0.02 0.42 -0.04 -0.02 -0.08 -0.02 0.00 0.44 -0.06 -0.00 0.44 -0.06 0.00 -0.04 0.06 -0.00 0.21 0.03 -0.01 0.21 0.03 0.01 0.02 -0.05 0.00 -0.10 0.05 -0.05 0.13 0.09 -0.00 -0.10 0.05 0.05 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.00 0.00 -0.00 -0.48 -0.01 -0.01 0.49 0.01 -0.01 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.09 -0.06 -0.17 -0.04 0.05 0.17 -0.04 0.00 0.00 -0.06 -0.23 -0.09 0.03 0.23 0.10 0.03 0.00 -0.00 -0.03 0.36 0.02 0.01 -0.37 -0.02 0.01 -0.00 0.00 0.06 0.09 0.11 -0.03 -0.00 -0.00 -0.11 -0.09 -0.11 -0.03 0.16 -0.01 0.00 -0.02 -0.01 -0.00 -0.07 0.03 -0.00 0.04 -0.00 -0.00 -0.16 -0.02 -0.01 -0.14 -0.02 0.01 -0.03 0.02 0.00 0.05 -0.04 0.04 0.05 -0.04 -0.04 -0.12 -0.02 0.00 0.48 0.07 -0.03 0.48 0.07 0.03 -0.08 -0.05 0.00 0.39 0.02 -0.01 0.39 0.02 0.01 0.02 0.06 -0.00 0.18 -0.13 0.00 -0.05 -0.08 0.09 -0.05 -0.08 -0.09 -0.01 -0.00 0.00 0.03 0.02 0.01 0.03 0.03 -0.02 -0.02 -0.00 -0.00 0.07 -0.02 0.00 0.08 -0.01 -0.00 -0.01 0.01 -0.00 0.07 0.00 -0.00 0.05 0.00 0.00 0.01 -0.01 0.00 -0.01 0.02 -0.01 0.03 0.02 -0.00 -0.02 0.01 0.01 -0.00 0.00 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 0.05 -0.44 0.04 -0.03 0.44 -0.04 -0.03 0.00 -0.00 -0.09 0.28 -0.14 0.03 -0.28 0.14 0.03 0.00 -0.00 -0.02 0.41 0.00 0.01 -0.41 -0.00 0.01 -0.00 0.00 0.06 -0.00 -0.00 -0.11 -0.09 0.11 -0.03 0.09 -0.11 -0.03 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.05 -0.35 0.08 0.01 0.35 -0.08 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.53 -0.09 -0.01 -0.53 0.09 -0.01 -0.00 -0.00 0.06 0.18 0.10 -0.02 -0.18 -0.10 -0.02 -0.00 0.00 0.01 -0.19 0.00 0.00 0.19 -0.00 0.00 0.00 -0.00 -0.03 -0.04 -0.05 0.01 0.00 0.00 0.05 0.04 0.05 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.03 0.19 -0.03 0.01 -0.19 0.03 0.01 -0.00 -0.00 -0.03 -0.48 -0.08 0.01 0.48 0.08 0.01 -0.00 0.00 0.04 0.45 0.11 -0.01 -0.45 -0.11 -0.01 -0.00 0.00 0.03 0.00 -0.00 -0.02 -0.07 0.05 -0.01 0.07 -0.05 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.08 0.00 -0.00 -0.08 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.04 0.12 0.07 0.01 -0.12 -0.07 0.01 -0.00 0.00 -0.03 0.50 -0.09 0.01 -0.50 0.09 0.01 -0.00 -0.00 0.04 0.44 -0.11 -0.01 -0.44 0.11 -0.01 0.00 -0.00 0.03 0.07 0.05 -0.01 0.00 0.00 -0.02 -0.07 -0.05 -0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 -0.00 0.05 -0.03 0.00 -0.33 0.04 0.05 -0.33 0.04 -0.05 -0.02 -0.01 -0.00 0.08 0.04 -0.02 0.08 0.04 0.02 0.01 0.01 0.00 -0.04 -0.01 0.01 -0.04 -0.01 -0.01 0.03 0.00 0.00 -0.10 -0.01 0.00 -0.10 -0.01 -0.00 -0.00 -0.01 0.00 -0.04 0.04 -0.00 -0.02 0.03 -0.03 -0.02 0.03 0.03 0.09 -0.03 0.00 -0.30 0.02 0.00 -0.30 0.02 -0.00 -0.05 0.03 0.00 0.18 -0.04 0.03 0.18 -0.04 -0.03 -0.11 0.02 -0.00 0.40 -0.04 -0.01 0.41 -0.04 0.01 0.01 -0.05 -0.00 0.06 0.11 -0.12 0.18 0.16 0.00 0.06 0.11 0.12 0.09 -0.01 0.00 -0.01 0.00 -0.00 -0.02 0.02 -0.00 0.04 -0.01 -0.00 -0.17 -0.02 -0.00 -0.17 -0.02 0.00 -0.10 -0.01 -0.00 0.24 0.03 0.00 0.24 0.03 -0.00 -0.05 0.01 -0.00 0.14 -0.02 0.03 0.14 -0.02 -0.03 0.11 0.01 0.00 -0.33 -0.01 -0.01 -0.33 -0.01 0.01 0.05 -0.06 0.00 -0.24 0.28 -0.00 -0.26 0.16 -0.18 -0.26 0.16 0.18 -0.04 -0.00 0.00 0.11 0.03 0.03 0.11 0.03 -0.03 -0.02 -0.01 -0.00 0.06 0.00 -0.01 0.06 0.00 0.01 0.04 -0.00 -0.00 -0.13 0.01 -0.00 -0.13 0.01 0.00 0.02 0.02 0.00 -0.11 -0.06 0.07 -0.10 -0.11 -0.00 -0.11 -0.06 -0.07 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 -0.05 0.02 0.00 0.22 -0.04 -0.04 0.22 -0.04 0.04 0.01 0.02 -0.00 -0.02 -0.13 0.10 -0.02 -0.13 -0.10 -0.04 -0.01 -0.00 0.10 0.03 -0.02 0.10 0.03 0.02 0.01 0.00 0.00 -0.05 0.02 -0.01 -0.05 0.02 0.01 0.05 -0.03 0.00 -0.14 0.19 -0.00 -0.20 0.06 -0.09 -0.20 0.06 0.09 -0.01 0.01 -0.00 0.03 -0.03 -0.02 0.03 -0.03 0.02 0.07 -0.01 -0.00 -0.19 0.00 0.00 -0.19 0.00 -0.00 -0.02 0.01 0.00 0.08 0.04 0.02 0.08 0.04 -0.02 -0.09 -0.06 -0.00 0.37 0.11 -0.17 0.25 0.35 0.00 0.37 0.11 0.17 0.05 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.01 -0.00 0.03 -0.01 -0.00 -0.09 -0.02 -0.01 -0.09 -0.02 0.01 -0.06 -0.06 0.00 0.12 0.34 -0.28 0.11 0.34 0.28 0.01 0.02 -0.00 -0.04 -0.08 0.07 -0.04 -0.08 -0.07 0.04 -0.00 0.00 -0.07 -0.04 0.02 -0.07 -0.04 -0.02 -0.07 0.03 -0.00 0.15 -0.23 0.00 0.25 -0.01 0.07 0.25 -0.01 -0.07 -0.05 0.00 0.00 0.12 0.03 0.03 0.12 0.03 -0.03 0.01 -0.01 -0.00 -0.02 0.00 -0.01 -0.02 0.00 0.01 0.05 0.00 -0.00 -0.10 0.05 0.02 -0.10 0.05 -0.02 -0.08 -0.03 -0.00 0.26 0.01 -0.07 0.15 0.25 0.00 0.26 0.01 0.07 -0.01 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 0.02 0.00 -0.00 0.03 -0.05 0.00 -0.11 0.39 -0.35 -0.11 0.39 0.35 0.02 -0.00 -0.00 -0.06 -0.07 0.05 -0.06 -0.07 -0.05 -0.09 0.00 -0.00 0.20 0.06 -0.02 0.20 0.06 0.02 0.10 -0.03 0.00 -0.16 0.27 -0.00 -0.30 -0.03 -0.05 -0.30 -0.03 0.05 0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.02 -0.01 -0.00 0.02 -0.01 0.00 0.01 0.00 -0.00 -0.03 0.00 0.01 -0.02 -0.03 -0.00 -0.03 0.00 -0.01 -0.07 -0.00 -0.00 0.01 0.00 0.00 0.02 0.01 -0.00 0.07 -0.03 -0.00 -0.25 0.07 0.07 -0.25 0.07 -0.07 0.02 0.03 -0.00 -0.03 -0.17 0.15 -0.03 -0.17 -0.15 0.05 -0.01 0.00 -0.11 0.04 -0.04 -0.11 0.04 0.04 -0.06 0.00 -0.00 0.13 0.03 -0.01 0.13 0.03 0.01 0.05 -0.01 0.00 -0.07 0.13 -0.00 -0.12 -0.06 0.01 -0.12 -0.06 -0.01 -0.00 -0.01 0.00 0.00 0.07 0.06 0.00 0.07 -0.06 -0.11 -0.00 0.00 0.28 -0.02 -0.01 0.28 -0.02 0.01 0.13 0.00 -0.00 -0.29 0.06 0.01 -0.29 0.06 -0.01 -0.09 -0.01 0.00 0.23 -0.13 0.04 0.13 0.24 0.00 0.23 -0.13 -0.04 0.03 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 0.05 -0.01 -0.00 -0.17 -0.02 0.00 -0.17 -0.02 -0.00 -0.11 0.02 -0.00 0.23 -0.14 0.15 0.23 -0.14 -0.15 0.12 0.03 0.00 -0.26 -0.14 0.09 -0.26 -0.14 -0.09 -0.07 -0.01 -0.00 0.13 0.10 -0.07 0.13 0.10 0.07 0.03 0.01 -0.00 -0.08 0.13 -0.00 -0.05 -0.21 0.15 -0.05 -0.21 -0.15 -0.10 -0.00 0.00 0.21 0.07 0.08 0.21 0.07 -0.08 0.09 -0.01 -0.00 -0.21 0.03 -0.01 -0.21 0.03 0.01 -0.05 0.00 0.00 0.09 -0.03 -0.01 0.09 -0.03 0.01 0.02 -0.01 0.00 -0.03 0.13 -0.09 -0.05 -0.08 -0.00 -0.03 0.13 0.09 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 0.01 0.00 0.05 -0.03 -0.03 0.05 -0.03 0.03 -0.01 0.00 -0.00 0.01 -0.01 0.01 0.01 -0.01 -0.01 0.00 0.01 -0.00 0.00 -0.06 0.05 0.00 -0.06 -0.05 0.00 -0.01 0.00 -0.01 0.06 -0.05 -0.01 0.06 0.05 -0.00 0.00 -0.00 -0.01 0.02 0.00 0.00 -0.04 0.03 0.00 -0.04 -0.03 0.00 -0.02 -0.00 -0.00 0.12 0.10 -0.00 0.12 -0.10 0.01 0.05 0.00 -0.04 -0.33 0.28 -0.04 -0.33 -0.28 -0.02 -0.04 -0.00 0.07 0.33 0.28 0.07 0.33 -0.28 0.01 0.02 -0.00 -0.02 -0.19 0.15 0.07 0.08 0.00 -0.02 -0.19 -0.15 0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.03 0.01 0.00 0.10 -0.01 -0.02 0.10 -0.01 0.02 0.00 0.01 -0.00 -0.00 -0.03 0.02 -0.00 -0.03 -0.02 -0.02 0.04 -0.00 0.07 -0.29 0.25 0.07 -0.29 -0.25 0.03 -0.05 0.00 -0.10 0.35 -0.29 -0.10 0.35 0.29 -0.01 0.02 -0.00 -0.07 0.08 0.00 0.03 -0.19 0.15 0.03 -0.19 -0.15 0.05 0.01 -0.00 -0.11 -0.09 -0.09 -0.11 -0.09 0.09 -0.04 -0.01 0.00 0.09 0.06 -0.06 0.09 0.06 0.06 0.02 0.01 -0.00 -0.04 -0.05 -0.05 -0.04 -0.05 0.05 -0.01 0.00 -0.00 0.01 -0.03 0.02 0.01 0.02 0.00 0.01 -0.03 -0.02 -0.08 -0.00 -0.00 0.01 -0.00 0.00 0.02 -0.00 0.00 0.04 -0.02 -0.00 -0.15 0.04 0.04 -0.15 0.04 -0.04 0.09 0.01 0.00 -0.19 0.03 -0.04 -0.19 0.03 0.04 -0.07 -0.01 -0.00 0.15 0.01 0.00 0.15 0.01 -0.00 0.04 -0.02 0.00 -0.09 0.17 -0.15 -0.09 0.17 0.15 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.02 -0.01 0.01 0.02 -0.01 -0.01 -0.06 -0.05 -0.00 0.12 0.30 0.26 0.12 0.30 -0.26 0.04 0.02 0.00 -0.08 -0.14 0.13 -0.08 -0.14 -0.13 0.01 0.01 0.00 -0.05 -0.13 -0.11 -0.05 -0.13 0.11 0.00 -0.02 0.00 -0.01 0.22 -0.17 -0.10 -0.13 -0.00 -0.00 0.22 0.17 0.06 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.08 0.05 0.00 0.19 -0.21 -0.19 0.19 -0.21 0.19 -0.06 -0.01 -0.00 0.12 -0.02 0.02 0.12 -0.02 -0.02 0.04 0.01 0.00 -0.09 -0.05 0.03 -0.09 -0.05 -0.03 -0.03 0.01 0.00 0.06 -0.11 0.10 0.06 -0.11 -0.10 0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.01 0.01 0.08 -0.04 -0.00 -0.14 0.22 0.18 -0.14 0.22 -0.18 -0.05 0.04 0.00 0.10 -0.20 0.17 0.10 -0.20 -0.17 0.05 0.02 0.00 -0.11 -0.21 -0.18 -0.11 -0.21 0.18 -0.01 -0.01 0.00 0.01 0.15 -0.12 -0.08 -0.09 -0.00 0.01 0.15 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 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -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 -0.00 0.03 -0.01 -0.00 0.00 0.00 -0.03 0.04 0.04 0.00 -0.04 -0.04 0.00 -0.00 -0.00 -0.04 0.48 -0.17 0.03 -0.00 -0.00 0.69 -0.48 0.17 0.03 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.03 0.01 -0.00 -0.03 -0.01 -0.00 -0.00 0.00 -0.03 0.04 -0.04 0.00 -0.04 0.04 0.00 0.00 -0.00 -0.04 -0.00 0.00 0.69 -0.48 -0.17 0.03 0.48 0.17 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.03 -0.06 -0.05 0.03 -0.06 0.05 -0.02 -0.01 0.00 0.03 0.07 -0.06 0.03 0.07 0.06 -0.00 -0.06 0.00 -0.04 0.36 -0.32 -0.04 0.36 0.32 0.05 0.01 0.00 -0.11 0.07 -0.06 -0.11 0.07 0.06 -0.00 0.03 -0.00 -0.17 0.21 -0.00 -0.00 -0.34 0.26 -0.00 -0.34 -0.26 0.01 -0.00 -0.00 -0.03 -0.00 -0.00 -0.03 -0.00 0.00 -0.01 0.00 0.00 0.01 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.01 -0.00 0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.03 -0.00 0.03 0.20 0.17 0.03 0.20 -0.17 -0.01 -0.00 -0.00 0.02 0.00 0.00 0.02 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.02 0.02 -0.00 -0.02 -0.02 0.00 0.00 -0.00 -0.01 0.02 -0.00 -0.00 -0.03 0.02 -0.00 -0.03 -0.02 -0.01 0.05 0.00 -0.02 -0.28 -0.24 -0.02 -0.28 0.24 -0.02 0.04 0.00 0.02 -0.23 0.20 0.02 -0.23 -0.20 0.05 -0.03 -0.00 -0.10 0.08 0.07 -0.10 0.08 -0.07 -0.00 -0.03 -0.00 -0.01 0.30 -0.23 -0.15 -0.19 0.00 -0.01 0.30 0.23 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.03 0.00 -0.03 -0.19 -0.16 -0.03 -0.19 0.16 -0.02 -0.00 -0.00 0.02 0.01 -0.01 0.02 0.01 0.01 0.03 -0.02 0.00 -0.06 0.12 -0.11 -0.06 0.12 0.11 -0.02 -0.04 0.00 0.03 0.21 -0.18 0.03 0.21 0.18 -0.01 -0.01 0.00 0.09 -0.12 0.00 0.01 0.18 -0.14 0.01 0.18 0.14 0.02 -0.01 0.00 -0.03 0.04 0.03 -0.03 0.04 -0.03 -0.03 -0.02 -0.00 0.06 0.17 -0.15 0.06 0.17 0.15 0.02 -0.05 -0.00 -0.03 0.26 0.23 -0.03 0.26 -0.23 0.01 -0.02 -0.00 -0.02 0.21 -0.16 -0.10 -0.14 0.00 -0.02 0.21 0.16 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.02 0.07 0.06 0.02 0.07 -0.06 -0.04 -0.01 -0.00 0.06 0.02 -0.01 0.06 0.02 0.01 0.04 -0.02 0.00 -0.09 0.17 -0.15 -0.09 0.17 0.15 -0.02 -0.06 0.00 0.05 0.28 -0.24 0.05 0.28 0.24 -0.01 -0.02 0.00 0.11 -0.16 0.00 0.01 0.23 -0.18 0.01 0.23 0.18 -0.01 0.02 0.00 0.01 -0.09 -0.08 0.01 -0.09 0.08 0.02 0.02 0.00 -0.04 -0.16 0.14 -0.04 -0.16 -0.14 -0.01 0.04 0.00 0.02 -0.20 -0.18 0.02 -0.20 0.18 -0.01 0.01 0.00 0.01 -0.15 0.11 0.07 0.10 -0.00 0.01 -0.15 -0.11 0.05 0.00 0.00 -0.01 -0.00 -0.00 -0.02 -0.01 0.00 -0.05 -0.05 0.00 0.22 0.42 0.34 0.22 0.42 -0.34 -0.04 -0.01 -0.00 0.06 0.01 -0.00 0.06 0.01 0.00 0.02 -0.00 0.00 -0.03 0.03 -0.03 -0.03 0.03 0.03 -0.00 -0.01 0.00 0.01 0.03 -0.02 0.01 0.03 0.02 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.02 -0.01 0.00 0.02 0.01 0.03 -0.04 -0.00 -0.06 0.25 0.21 -0.06 0.25 -0.21 -0.01 -0.02 -0.00 0.03 0.13 -0.12 0.03 0.13 0.12 -0.00 -0.01 0.00 0.00 0.06 0.06 0.00 0.06 -0.06 0.00 -0.00 -0.00 -0.00 0.02 -0.02 -0.01 -0.02 0.00 -0.00 0.02 0.02 0.02 0.81 -0.00 0.01 -0.51 0.00 0.01 -0.05 0.00 0.02 0.02 -0.00 -0.11 0.01 -0.04 -0.11 0.01 0.04 -0.04 -0.06 0.00 -0.08 -0.12 0.05 -0.08 -0.12 -0.05 0.00 0.01 -0.00 0.02 0.02 0.01 0.02 0.02 -0.01 0.01 -0.01 0.00 -0.01 -0.01 -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 -0.01 -0.01 0.00 0.03 -0.01 0.01 0.03 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.02 0.00 0.01 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 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 -0.05 0.01 0.04 0.05 0.01 0.07 -0.00 -0.03 -0.40 -0.55 -0.03 -0.40 0.55 0.00 -0.02 0.00 0.01 0.09 -0.13 0.01 0.09 0.13 -0.00 -0.00 0.00 0.00 0.02 0.03 0.04 -0.03 -0.00 0.00 0.02 -0.03 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 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 0.00 -0.01 0.07 0.10 -0.01 0.07 -0.10 -0.01 0.07 -0.00 0.04 -0.40 -0.55 0.04 -0.40 0.55 -0.01 -0.00 -0.00 0.08 0.07 -0.00 0.00 -0.04 -0.05 0.00 -0.04 0.05 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 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 0.04 -0.06 0.00 0.04 0.06 0.00 0.02 -0.00 -0.01 -0.09 -0.13 -0.01 -0.09 0.13 0.01 0.07 -0.00 -0.04 -0.40 0.55 -0.04 -0.40 -0.55 0.01 -0.00 -0.00 -0.00 -0.03 -0.04 -0.07 0.06 0.00 -0.00 -0.03 0.04 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 0.17 -0.24 0.00 0.17 0.24 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.01 -0.00 0.00 -0.01 -0.02 0.00 -0.01 0.02 0.00 0.03 -0.00 -0.02 -0.20 0.28 -0.02 -0.20 -0.28 -0.00 0.01 0.00 -0.00 -0.03 -0.04 -0.00 -0.03 0.04 -0.00 -0.00 0.00 0.00 0.02 -0.02 0.00 0.02 0.02 0.03 0.02 -0.00 -0.04 -0.26 -0.37 -0.30 0.26 0.00 -0.04 -0.26 0.37 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 0.07 -0.09 0.00 0.07 0.09 -0.00 0.01 -0.00 0.00 -0.03 -0.04 0.00 -0.03 0.04 0.00 -0.01 0.00 -0.01 0.07 0.09 -0.01 0.07 -0.09 0.00 -0.01 0.00 -0.01 0.06 0.08 -0.01 0.06 -0.08 -0.04 0.03 -0.00 0.36 0.31 -0.00 0.05 -0.32 -0.45 0.05 -0.32 0.45 0.00 0.01 -0.00 -0.01 -0.06 0.08 -0.01 -0.06 -0.08 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.03 -0.00 -0.02 -0.03 -0.01 -0.01 0.00 0.01 0.08 0.12 0.09 -0.08 -0.00 0.01 0.08 -0.12 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 0.20 -0.28 0.00 0.20 0.28 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.04 -0.05 0.00 -0.04 0.05 -0.00 0.00 -0.00 0.00 -0.03 -0.04 0.00 -0.03 0.04 0.01 -0.01 0.00 -0.12 -0.10 0.00 -0.02 0.11 0.15 -0.02 0.11 -0.15 0.00 0.04 -0.00 -0.02 -0.22 0.30 -0.02 -0.22 -0.30 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.01 0.00 0.01 -0.00 -0.01 -0.05 0.07 -0.01 -0.05 -0.07 -0.03 -0.02 0.00 0.03 0.21 0.30 0.24 -0.20 -0.00 0.03 0.21 -0.30 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.02 0.00 0.02 0.02 0.00 -0.01 0.00 -0.01 0.08 0.11 -0.01 0.08 -0.11 -0.01 0.07 -0.00 0.03 -0.39 -0.53 0.03 -0.39 0.54 -0.00 0.01 0.00 0.01 -0.06 -0.08 0.01 -0.06 0.08 -0.01 0.01 -0.00 0.09 0.08 -0.00 0.01 -0.08 -0.11 0.01 -0.08 0.11 -0.00 -0.01 0.00 0.00 0.04 -0.05 0.00 0.04 0.05 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 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 -0.05 -0.00 0.00 0.30 -0.43 0.00 0.30 0.43 -0.00 0.01 -0.00 0.00 -0.03 -0.04 0.00 -0.03 0.04 0.00 -0.00 0.00 -0.00 0.03 0.04 -0.00 0.03 -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 -0.02 -0.01 0.00 -0.00 0.01 0.02 -0.00 0.01 -0.02 -0.01 -0.04 0.00 0.03 0.27 -0.37 0.03 0.27 0.37 0.00 -0.01 -0.00 0.00 0.04 0.05 0.00 0.04 -0.05 -0.00 -0.00 0.00 0.00 0.01 -0.02 0.00 0.01 0.02 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 0.04 -0.00 -0.03 -0.04 -0.01 0.07 -0.00 0.06 -0.41 -0.55 0.06 -0.41 0.55 -0.00 0.01 -0.00 0.01 -0.08 -0.11 0.01 -0.08 0.11 -0.00 0.00 -0.00 0.00 -0.01 -0.02 0.00 -0.01 0.02 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.01 0.01 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.03 -0.00 0.02 0.03 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 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 0.09 -0.12 -0.01 -0.09 -0.12 -0.00 -0.00 -0.08 0.03 0.36 0.47 -0.03 -0.36 0.47 0.00 0.00 0.04 0.02 0.21 -0.27 -0.02 -0.21 -0.27 -0.00 -0.00 -0.01 0.00 0.03 0.03 0.00 -0.00 -0.00 -0.00 -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 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.05 0.06 0.01 -0.05 0.06 -0.00 0.00 0.04 0.02 -0.18 -0.23 -0.02 0.18 -0.23 0.00 -0.00 -0.08 -0.04 0.38 0.50 0.04 -0.38 0.50 -0.00 0.00 0.01 0.00 0.00 0.00 0.01 -0.05 -0.07 -0.01 0.05 -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 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.00 -0.07 0.09 -0.00 0.07 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 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 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 0.14 -0.19 -0.01 -0.14 -0.19 -0.00 -0.00 -0.04 0.01 0.17 0.22 -0.01 -0.17 0.22 -0.00 0.00 -0.08 -0.03 -0.36 0.46 0.03 0.36 0.46 0.00 -0.00 0.01 -0.01 -0.06 -0.08 -0.00 0.00 0.00 0.01 0.06 -0.08 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.06 0.00 -0.27 0.37 -0.00 0.27 0.37 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.06 0.03 0.27 -0.36 -0.03 -0.27 -0.36 0.00 0.00 0.03 -0.01 -0.14 -0.19 0.01 0.14 -0.19 0.00 -0.00 0.02 0.01 0.09 -0.12 -0.01 -0.09 -0.12 -0.00 0.00 -0.00 0.00 0.02 0.02 0.00 -0.00 -0.00 -0.00 -0.02 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 0.05 0.03 -0.22 -0.28 -0.03 0.22 -0.28 0.00 -0.00 -0.07 -0.03 0.32 0.42 0.03 -0.32 0.42 0.00 -0.00 -0.04 -0.02 0.17 0.23 0.02 -0.17 0.23 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.03 -0.04 -0.00 0.03 -0.04 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.04 -0.00 0.16 -0.21 0.00 -0.16 -0.21 0.00 -0.00 -0.07 -0.04 0.32 0.41 0.04 -0.32 0.41 0.00 -0.00 -0.04 -0.02 0.19 0.25 0.02 -0.19 0.25 0.00 -0.00 -0.01 -0.00 0.05 0.06 0.00 -0.05 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.00 0.03 0.01 0.14 -0.19 -0.01 -0.14 -0.19 0.00 -0.00 0.01 -0.00 -0.03 -0.04 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.06 0.00 -0.27 0.36 -0.00 0.27 0.36 0.00 -0.00 -0.04 -0.03 0.19 0.24 0.03 -0.19 0.24 0.00 -0.00 -0.02 -0.01 0.11 0.15 0.01 -0.11 0.15 0.00 -0.00 -0.01 -0.00 0.03 0.04 0.00 -0.03 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.05 -0.02 -0.24 0.32 0.02 0.24 0.32 -0.00 0.00 -0.01 0.01 0.06 0.07 -0.01 -0.06 0.07 -0.00 -0.00 -0.00 -0.00 -0.02 0.02 0.00 0.02 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.01 0.01 0.00 0.00 -0.01 -0.01 -0.06 0.08 0.01 0.06 0.08 -0.00 0.00 -0.09 0.06 0.41 0.56 0.00 -0.00 -0.01 -0.06 -0.41 0.56 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.01 0.06 0.08 0.01 -0.06 0.08 0.00 0.00 -0.09 -0.00 -0.00 -0.01 -0.07 0.41 0.56 0.07 -0.41 0.56 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 0.02 -0.00 -0.02 -0.02 -0.05 0.08 0.00 -0.04 -0.21 -0.30 0.65 -0.54 -0.00 -0.04 -0.21 0.30 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.02 -0.00 0.02 -0.02 -0.05 -0.08 -0.00 0.65 0.55 -0.00 -0.04 0.21 0.30 -0.04 0.21 -0.30 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 6 8 8 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 6 1 1 6 1 1 6 1 1 6 1 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 31 32 6 8 8 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 12.00000 15.99491 15.99491 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 172.14633 366.13570 8798.98677 9065.06471 1.0 0.00251 0.0 -0.00251 1.0 -0.0 -0.0 0.0 1.0 asymmetric 1 0.23656 0.00984 0.00955 4.92916 0.20511 0.19909 756809.2 31.25 57.05 67.62 74.48 117.18 162.22 163.26 181.81 194.69 284.36 287.52 326.12 362.45 364.67 442.04 483.36 583.14 669.71 770.75 827.89 1048.57 1049.82 1050.22 1097.46 1146.27 1220.12 1307.22 1321.16 1337.73 1391.60 1404.69 1462.83 1525.87 1541.56 1578.90 1580.26 1583.24 1601.16 1647.49 1670.23 1691.23 1733.24 1759.83 1769.40 1800.92 1854.30 1854.46 1868.38 1884.02 1897.70 1902.05 1917.67 1967.37 1991.87 2007.21 2011.59 2026.65 2054.96 2064.50 2065.37 2076.99 2080.68 2081.99 2082.14 2088.99 2097.61 2112.10 2113.23 2133.15 2649.62 4332.93 4343.93 4347.34 4359.30 4360.76 4361.08 4365.63 4366.68 4382.21 4407.66 4419.79 4433.71 4446.23 4448.16 4469.01 4469.51 4510.44 4511.87 4525.90 4527.05 0.288253 0.303653 0.304597 0.243339 -542.843776 -542.828377 -542.827433 -542.888691 190.545 53.571 128.929 0.000 0.000 0.000 0.889 2.981 41.337 0.889 2.981 31.746 188.768 47.609 55.846 1 0.593 1.985 6.470 2 0.594 1.981 5.276 3 0.595 1.979 4.940 4 0.596 1.977 4.749 5 0.600 1.962 3.856 6 0.607 1.939 3.221 7 0.607 1.938 3.209 8 0.611 1.927 3.001 9 0.613 1.918 2.869 10 0.637 1.843 2.155 11 0.638 1.840 2.135 12 0.650 1.800 1.905 13 0.664 1.760 1.717 14 0.665 1.757 1.706 15 0.697 1.660 1.377 16 0.717 1.604 1.231 17 0.770 1.459 0.943 18 0.823 1.327 0.750 19 0.891 1.171 0.575 20 0.932 1.084 0.494 0.456458e+21 20.659401 47.570029 0.265786e+07 6.424532 14.793032 0.100000e+01 0.000000 0.000000 0.887770e+08 7.948301 18.301638 0.193450e+07 6.286568 14.475359 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -543.1320297 3.88E-9 1.858E-6 0.2882534 0.3036528 -542.828377 -542.8274328 -542.8886912 0.0878695,-3.3568974,3.269028,2.0960092,1.2111444,-3.5674334 C01 [X(C10H20O2)] 0.3412025 -0.7948026 -0.2504901 0.5715482 -0.6422911 0.131821 -0.5884431 1.9610939 -0.6645006 -0.0931769 -0.1007806 1.7240861 -0.5130564 0.3077571 0.0159559 0.2688674 -1.0862167 0.0999047 0.178449 -0.3071847 -0.9730681 -0.4789799 0.3991899 -0.2306118 0.3898012 -1.5193957 0.8403364 -0.1913735 0.7421207 -1.4390455 0.4422671 -0.034905 0.046345 -0.0526453 0.6243718 -0.2494716 0.1205713 -0.4355232 0.9902488 -0.012631 -0.0762781 -0.0653501 -0.0762827 -0.1007951 -0.0688148 -0.0452318 0.0487929 -0.0789928 -0.1448936 0.0299898 0.0860637 0.0478822 0.012287 0.0085621 -0.0089066 0.078483 -0.059878 0.0984199 -0.0067364 0.067456 0.0021368 0.1071733 -0.0430138 0.0304328 0.0497806 -0.4245218 -0.0901216 0.0875008 0.0388161 0.0546694 0.0440673 0.067592 0.0184672 0.0248505 0.0425403 0.0621609 -0.0811403 -0.0770793 -0.0544894 -0.0910313 0.0051151 -0.0309552 -0.0167788 0.025354 0.1820365 0.0157131 0.0112483 0.0203961 0.1411773 -0.0121443 -0.0083271 0.0368962 0.1224602 -0.1675284 0.0722238 0.0760516 0.0426047 0.0165025 0.021483 0.0708295 -0.0025927 -0.0058025 -0.0023162 -0.0945423 -0.0755946 -0.0689765 -0.1208614 -0.0559733 -0.0534178 -0.0743879 -0.0336727 0.2057284 0.0181424 -0.0114625 0.0154779 0.1649922 0.0338039 -0.0003453 0.0059366 0.1906636 -0.2017619 0.0884148 0.0992034 0.0672855 0.0104972 0.0085664 0.0479532 0.0185445 -0.021461 -0.0020523 -0.1097985 -0.0817313 -0.084027 -0.1607737 -0.0856915 -0.0498896 -0.0470341 -0.0499023 0.103326 -0.0022351 0.0016771 -0.0003472 0.0989113 0.0190491 -0.0062068 0.0388129 0.0054656 0.0820964 0.0207165 0.0108957 0.0245246 0.0193919 0.0440796 -0.005024 0.0839796 -0.2069373 -0.170379 0.093925 0.0325378 0.0386215 0.015274 0.025859 0.0759312 -0.0074567 0.0657599 0.0016738 -0.1083226 -0.0592918 -0.0621584 -0.1330382 -0.0269627 -0.0644932 -0.0893575 0.0420173 0.1748081 0.0555501 -0.0266357 0.0525868 0.0412138 0.0896663 -0.014271 0.0587072 0.0985686 -0.0101156 -0.0847119 -0.1001436 -0.0572222 -0.0858673 -0.0706901 -0.0677585 -0.079787 -0.0551334 -0.1520703 0.0483947 0.1085655 0.0177433 0.0198129 0.0252049 0.0894305 0.0011119 -0.018861 0.2079664 0.049221 -0.0184472 0.0454667 0.0968581 0.0631285 -0.0027588 0.0238216 0.1551752 -0.1847776 0.0613667 0.1188219 0.0319182 0.0177622 0.0146349 0.0841373 0.009694 -0.0323324 -0.01443 -0.1014382 -0.099806 -0.070993 -0.115468 -0.0889846 -0.0692853 -0.0736172 -0.0694489 0.2045338 -0.0024316 0.0053966 0.0001966 0.2035009 0.0003797 -0.0055907 0.0278925 0.1460939 -0.0144881 -0.1026353 -0.1096835 -0.0592204 -0.1152648 -0.0701023 -0.0811475 -0.0910077 -0.0841002 -0.182327 0.0683186 0.1161563 0.0202964 0.0114846 0.0340677 0.1068527 0.0067936 -0.0430092 0.093523 0.0322718 -0.0180735 0.0300895 0.0178005 0.0480697 -0.0089493 0.0252148 0.092968 -0.1430932 -0.0065658 0.1343395 0.0193012 0.0843234 -0.0017641 0.0663084 0.0243151 -0.0326113 0.0568257 0.0940702 -0.0307715 0.0904253 -0.158982 0.0999132 -0.0155516 0.0617882 -0.0039297 -0.0018922 -0.0887343 -0.0966694 -0.1054862 -0.0208017 -0.1113027 -0.0667025 -0.0420283 -0.0686935 126.6761977|-8.5450649|148.1786164|2.5677701|-13.6170462|153.5248361 0.000000467 0.000004977 -0.000001536 -0.000000153 0.000000317 -0.000001060 0.000002241 -0.000005271 0.000002639 -0.000003740 -0.000001666 -0.000000745 0.000002072 -0.000001932 0.000002521 0.000001564 0.000002494 -0.000001317 -0.000003662 0.000007510 0.000001456 0.000001508 -0.000003491 0.000000919 0.000000185 0.000000305 -0.000001977 0.000000693 -0.000003943 0.000002663 -0.000001003 -0.000000063 0.000000693 -0.000000774 0.000001248 -0.000000475 -0.000001112 -0.000000504 -0.000002445 -0.000000861 0.000000770 0.000001235 0.000000080 0.000000659 0.000000833 0.000000675 0.000003271 0.000000533 -0.000000501 0.000000209 0.000000686 0.000000152 -0.000000510 0.000000348 -0.000000400 0.000000203 0.000000540 -0.000000677 -0.000000123 -0.000003608 0.000001673 -0.000002225 0.000002267 0.000000212 0.000001880 -0.000000673 -0.000000128 0.000000386 0.000002573 0.000000030 -0.000000854 -0.000000630 -0.000000018 -0.000000386 -0.000000988 0.000000062 -0.000000861 -0.000003320 0.000000039 0.000000017 -0.000000007 0.000000012 -0.000000475 -0.000000286 0.000002561 -0.000000417 0.000003490 -0.000000382 -0.000000719 -0.000001670 -0.000000474 -0.000000296 -0.000001105 -0.000000339 -0.000000510 -0.000001554 152.1058 AuxInfo=1/0/N:29,16,26,13,23,10,20,7,4,1,2,3/CRV:10.3,11.1/rA:32C3O1OCHHCHHCHHCHHCHHHCHHCHHCHHCHHH/rB:s1;s1;s3;s4;s4;s1;s7;s7;s7;s10;s10;s10;s13;s13;s13;s16;s16;s16;s4;s20;s20;s20;s23;s23;s23;s26;s26;s26;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;