Gaussian 16 GINC-N7362 ZW519 E-TS-housan-cyclohexyne-fo_tight_redo ES64L-G16RevC.02 19-Jun-2025 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 27 27 41 41 234 (5D, 7F) def2SVP 75 75 75 C1[X(C11H16)] C1[X(C11H16)] C1[X(C11H16)] UwB97XD def2SVP Freq #p opt=(calcall,ts,noeigen,tight) freq uwb97xd guess=(mix,always) def2svp Int=UltraFine 132.1177 0 1 AuxInfo=1/0/N:1;2;5;9;10;14;15;16;17;20;21;3;4;6;7;8;11;12;13;18;19;22;23;24;25;26;27/rA:27nC0C0H0H0C0H0H0H0C0C0H0H0H0C0C0C0C0H0H0C0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.8993,1.0935,.4939;1.3461,-.341,.4592;1.2123,1.74,-.0992;1.9423,1.4752,1.5225;1.8156,-1.0641,-.8018;1.5491,-.5356,-1.7271;1.5786,-2.1309,-.8202;1.2264,-.9194,1.3791;3.0108,-.6732,-.0855;3.2945,.801,-.0934;3.4762,1.2226,-1.0957;4.1261,1.0831,.5641;3.5876,-1.3963,.4948;-.5292,-.0957,.1297;-1.3045,-1.3408,.3759;-.8834,1.0628,-.2172;-2.7385,-1.054,-.13;-.8867,-2.2206,-.1429;-1.3084,-1.5882,1.4536;-2.3151,1.4595,-.3978;-3.2213,.3625,.2104;-2.754,-1.1808,-1.2264;-3.4336,-1.8015,.2848;-2.546,2.4388,.0526;-2.5213,1.5753,-1.4767;-3.2327,.4814,1.3081;-4.2616,.4939,-.131; /u/local/apps/gaussian/G16_C02/g16_avx2/g16 /u/local/apps/gaussian/G16_C02/g16_avx2/l1.exe "/work/9544748.1.houk_pod_xgold.q/Gau-16944.inp" -scrdir="/work/9544748.1.houk_pod_xgold.q/" nproc=12 mem=24GB #p opt=(calcall,ts,noeigen,tight) freq uwb97xd guess=(mix,always) def2 1/5=1,7=10,10=4,11=1,18=20,26=4,38=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=1,71=2,74=-58,75=-5,116=2,140=1/1,2,3 4/13=-1/1 5/5=2,38=5/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/10=1,25=1/1,2,3,16 1/5=1,7=10,10=4,11=1,18=20,26=4/3(3) 2/9=110/2 7/8=1,9=1,25=1,44=-1/16 99//99 2/9=110/2 3/5=43,7=101,11=2,25=1,30=1,71=2,74=-58,75=-5,116=2,140=1/1,2,3 4/13=-1/1 5/5=2,38=5/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 7/10=1,25=1/1,2,3,16 1/5=1,7=10,10=4,11=1,18=20,26=4/3(-8) 2/9=110/2 6/7=2,8=2,9=2,10=2,18=1,19=2,28=1/1 7/8=1,9=1,25=1,44=-1/16 99//99 E-TS-housan-cyclohexyne-fo_tight_redo 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 12 12 1 1 12 1 1 1 12 12 1 1 1 12 12 12 12 1 1 12 12 1 1 1 1 1 1 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 1 1 0 1 1 1 0 0 1 1 1 0 0 0 0 1 1 0 0 1 1 1 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 (Enter /u/local/apps/gaussian/G16_C02/g16_avx2/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 1 1 1 1 2 2 2 2 5 5 5 9 9 10 10 14 14 15 15 15 16 17 17 17 20 20 20 21 21 2 3 4 10 5 8 9 14 6 7 9 10 13 11 12 15 16 17 18 19 20 21 22 23 21 24 25 26 27 1.5379 1.1143 1.0979 1.5418 1.5276 1.0932 1.7828 1.9198 1.0984 1.093 1.4473 1.5012 1.0919 1.1024 1.097 1.4872 1.2601 1.5475 1.1035 1.1058 1.4966 1.5348 1.1038 1.1018 1.5474 1.1024 1.1045 1.1042 1.1028 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 A59 2 2 2 3 3 4 1 1 1 1 5 5 8 8 9 2 2 6 6 7 2 2 5 5 10 1 1 1 9 9 11 2 2 15 14 14 14 17 17 18 14 15 15 15 21 21 22 16 16 16 21 21 24 17 17 17 20 20 26 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 5 5 5 5 5 9 9 9 9 9 10 10 10 10 10 10 14 14 14 15 15 15 15 15 15 16 17 17 17 17 17 17 20 20 20 20 20 20 21 21 21 21 21 21 3 4 10 4 10 10 5 8 9 14 8 14 9 14 14 6 7 7 9 9 10 13 10 13 13 9 11 12 11 12 12 15 16 16 17 18 19 18 19 19 20 21 22 23 22 23 23 21 24 25 24 25 25 20 26 27 26 27 27 107.9004 111.0686 98.0468 108.7269 117.723 112.7955 110.4644 120.9228 81.0688 103.6587 118.5453 102.6511 105.1152 96.0312 152.0695 113.1444 114.1563 113.7622 119.1651 116.8096 89.7198 117.0158 114.753 121.355 123.5957 90.7616 115.0197 114.1319 114.2959 113.1123 108.7678 111.9528 116.0549 131.9701 105.8909 113.0969 110.5161 110.1775 110.9056 106.3285 123.0782 112.9547 108.4486 109.619 108.7779 110.1383 106.6899 108.9566 112.7379 108.9213 110.2756 110.4191 105.4835 112.5162 108.8555 109.7563 108.6881 110.2597 106.572 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 3 3 3 3 4 4 4 4 10 10 10 10 2 2 2 3 3 3 4 4 4 1 1 8 8 14 14 1 1 8 8 14 14 1 1 5 5 8 8 9 9 6 6 7 7 2 2 2 5 5 5 13 13 13 2 2 2 16 16 16 2 15 14 14 14 18 18 18 19 19 19 14 14 14 15 15 15 22 22 22 23 23 23 16 16 16 24 24 24 25 25 25 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 5 5 5 5 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 20 20 20 2 2 2 2 2 2 2 2 2 2 2 2 10 10 10 10 10 10 10 10 10 5 5 5 5 5 5 9 9 9 9 9 9 14 14 14 14 14 14 14 14 9 9 9 9 10 10 10 10 10 10 10 10 10 15 15 15 15 15 15 16 16 17 17 17 17 17 17 17 17 17 20 20 20 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 5 8 9 14 5 8 9 14 5 8 9 14 9 11 12 9 11 12 9 11 12 6 7 6 7 6 7 10 13 10 13 10 13 15 16 15 16 15 16 15 16 10 13 10 13 1 11 12 1 11 12 1 11 12 17 18 19 17 18 19 20 20 21 22 23 21 22 23 21 22 23 21 24 25 20 26 27 20 26 27 20 26 27 17 26 27 17 26 27 17 26 27 84.6768 -130.4286 127.2405 -24.6683 -156.2458 -11.3512 -113.6821 94.4091 -37.9652 106.9295 4.5985 -147.3102 -5.3976 112.009 -121.2541 -120.5463 -3.1397 123.5972 111.5538 -131.0396 -4.3027 -56.1446 171.6354 158.0225 25.8025 53.8591 -78.3609 -4.6765 123.5388 -124.4375 3.7778 97.6742 -134.1105 -166.515 11.9793 78.4419 -103.0638 -42.6348 135.8594 96.7495 -84.7563 36.7789 -149.2573 179.8179 -6.2183 4.6084 -113.4305 121.3669 55.5938 -62.4451 172.3523 -118.2172 123.7439 -1.4588 -171.6834 -50.9331 68.1403 10.1361 130.8864 -110.0402 -174.5308 3.5907 -39.9627 80.6888 -163.1866 -162.5891 -41.9377 74.1869 79.9591 -159.3895 -43.2649 12.8323 135.5999 -107.6788 59.4669 -61.0702 -177.3593 -60.9968 178.4662 62.1771 -177.5974 61.8656 -54.4235 -42.5927 78.0407 -165.4847 -166.8263 -46.193 70.2817 76.9928 -162.3739 -45.8992 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 0.10000e-02 0.10000e-05 F 245 A 234 A 387 245 602.3062051524 27 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 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 Berny optimization. saddle point Step number 2 out of a maximum of 162 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. -0.02932 0.00140 0.00301 0.00309 0.00382 0.00642 0.00892 0.01002 0.01124 0.01727 0.02100 0.02225 0.02454 0.02754 0.02866 0.03196 0.03553 0.03727 0.03847 0.03864 0.03953 0.04229 0.04319 0.04374 0.04513 0.04819 0.04918 0.05048 0.05120 0.05483 0.05587 0.06200 0.06345 0.07064 0.07178 0.07574 0.08390 0.08468 0.08674 0.09060 0.10224 0.10802 0.11343 0.12686 0.14761 0.17145 0.19958 0.20195 0.22095 0.23913 0.24748 0.25305 0.25889 0.26789 0.30168 0.31250 0.31543 0.31888 0.32416 0.32863 0.33154 0.33334 0.33471 0.33712 0.33722 0.33831 0.34034 0.34334 0.34680 0.34813 0.35041 0.35852 0.36172 0.36563 0.79799 1.435049996e-13 0.00000000e+00 Linear search 1 2 0.00000425 0.00000000 0.00000000 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 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 2.90623 2.10588 2.07477 2.91351 2.88683 2.06580 3.36868 3.62814 2.07564 2.06540 2.73498 2.83693 2.06342 2.08324 2.07312 2.81048 2.38131 2.92425 2.08533 2.08958 2.82815 2.90028 2.08584 2.08202 2.92423 2.08319 2.08726 2.08661 2.08392 1.88303 1.93862 1.71123 1.89767 2.05460 1.96876 1.92794 2.11071 1.41493 1.80905 2.06905 1.79124 1.83483 1.67615 2.65376 1.97479 1.99237 1.98556 2.07989 2.03869 1.56603 2.04227 2.00297 2.11798 2.15709 1.58398 2.00753 1.99196 1.99495 1.97410 1.89838 1.95402 2.02549 2.30329 1.84815 1.97393 1.92885 1.92300 1.93564 1.85578 2.14813 1.97141 1.89280 1.91322 1.89855 1.92226 1.86209 1.90169 1.96762 1.90104 1.92465 1.92719 1.84102 1.96381 1.89988 1.91559 1.89698 1.92438 1.86002 1.47751 -2.27642 2.22050 -0.43044 -2.72740 -0.19814 -1.98442 1.64784 -0.66286 1.86639 0.08012 -2.57081 -0.09403 1.95519 -2.11595 -2.10351 -0.05429 2.15775 1.94731 -2.28666 -0.07461 -0.97980 2.99563 2.75770 0.44995 0.93980 -1.36796 -0.08148 2.15629 -2.17192 0.06585 1.70454 -2.34088 -2.90605 0.20941 1.36946 -1.79826 -0.74371 2.37175 1.68916 -1.47857 0.64174 -2.60504 3.13839 -0.10838 0.08029 -1.97991 2.11802 0.97032 -1.08989 3.00805 -2.06343 2.15955 -0.02570 -2.99602 -0.88847 1.18974 0.17715 2.28470 -1.92027 -3.04640 0.06259 -0.69764 1.40815 -2.84827 -2.83791 -0.73213 1.29464 1.39535 -2.78205 -0.75528 0.22380 2.36648 -1.87955 1.03784 -1.06596 -3.09556 -1.06466 3.11472 1.08512 -3.09973 1.07966 -0.94995 -0.74318 1.36229 -2.88804 -2.91145 -0.80597 1.22688 1.34402 -2.83369 -0.80084 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00000 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 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00000 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 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.90623 2.10588 2.07477 2.91351 2.88683 2.06580 3.36868 3.62813 2.07564 2.06540 2.73498 2.83693 2.06342 2.08324 2.07312 2.81048 2.38131 2.92425 2.08533 2.08958 2.82815 2.90028 2.08584 2.08202 2.92423 2.08319 2.08726 2.08661 2.08392 1.88303 1.93862 1.71123 1.89767 2.05460 1.96876 1.92794 2.11071 1.41493 1.80906 2.06905 1.79124 1.83483 1.67615 2.65376 1.97479 1.99237 1.98556 2.07989 2.03870 1.56603 2.04227 2.00297 2.11798 2.15709 1.58398 2.00753 1.99196 1.99495 1.97410 1.89838 1.95402 2.02549 2.30329 1.84815 1.97393 1.92885 1.92300 1.93564 1.85578 2.14813 1.97141 1.89280 1.91322 1.89855 1.92226 1.86209 1.90169 1.96762 1.90104 1.92465 1.92719 1.84102 1.96381 1.89988 1.91559 1.89698 1.92438 1.86002 1.47751 -2.27642 2.22049 -0.43044 -2.72740 -0.19815 -1.98442 1.64783 -0.66287 1.86639 0.08012 -2.57081 -0.09403 1.95519 -2.11595 -2.10350 -0.05429 2.15776 1.94731 -2.28666 -0.07461 -0.97980 2.99564 2.75770 0.44995 0.93980 -1.36795 -0.08147 2.15629 -2.17192 0.06585 1.70455 -2.34087 -2.90605 0.20941 1.36946 -1.79826 -0.74371 2.37175 1.68915 -1.47857 0.64174 -2.60504 3.13839 -0.10838 0.08029 -1.97991 2.11802 0.97031 -1.08989 3.00804 -2.06343 2.15955 -0.02570 -2.99601 -0.88847 1.18975 0.17715 2.28470 -1.92027 -3.04640 0.06260 -0.69764 1.40815 -2.84827 -2.83792 -0.73213 1.29464 1.39535 -2.78205 -0.75528 0.22380 2.36648 -1.87956 1.03784 -1.06596 -3.09556 -1.06466 3.11472 1.08512 -3.09973 1.07965 -0.94995 -0.74318 1.36230 -2.88804 -2.91145 -0.80597 1.22688 1.34402 -2.83369 -0.80084 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000017 0.000004 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -2.054312e-12 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 1 1 1 1 2 2 2 2 5 5 5 9 9 10 10 14 14 15 15 15 16 17 17 17 20 20 20 21 21 2 3 4 10 5 8 9 14 6 7 9 10 13 11 12 15 16 17 18 19 20 21 22 23 21 24 25 26 27 1.5379 1.1144 1.0979 1.5418 1.5276 1.0932 1.7826 1.9199 1.0984 1.093 1.4473 1.5012 1.0919 1.1024 1.097 1.4872 1.2601 1.5474 1.1035 1.1058 1.4966 1.5348 1.1038 1.1018 1.5474 1.1024 1.1045 1.1042 1.1028 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A59 2 2 2 3 3 4 1 1 1 1 5 5 8 8 9 2 2 6 6 7 2 2 5 5 10 1 1 1 9 9 11 2 2 15 14 14 14 17 17 18 14 15 15 15 21 21 22 16 16 16 21 21 24 17 17 17 20 20 26 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 5 5 5 5 5 9 9 9 9 9 10 10 10 10 10 10 14 14 14 15 15 15 15 15 15 16 17 17 17 17 17 17 20 20 20 20 20 20 21 21 21 21 21 21 3 4 10 4 10 10 5 8 9 14 8 14 9 14 14 6 7 7 9 9 10 13 10 13 13 9 11 12 11 12 12 15 16 16 17 18 19 18 19 19 20 21 22 23 22 23 23 21 24 25 24 25 25 20 26 27 26 27 27 107.8897 111.0746 98.0463 108.7285 117.7202 112.8014 110.4629 120.935 81.0698 103.6512 118.5481 102.6305 105.1279 96.0365 152.0494 113.1474 114.1546 113.7644 119.169 116.8086 89.7269 117.0132 114.7614 121.3512 123.5921 90.7555 115.0229 114.131 114.3023 113.1074 108.7692 111.957 116.052 131.9691 105.8909 113.0979 110.5149 110.1797 110.9037 106.3283 123.0788 112.9537 108.4493 109.6193 108.7789 110.1372 106.6902 108.9586 112.7366 108.9217 110.2745 110.4196 105.4829 112.5183 108.8552 109.7553 108.6887 110.2586 106.5715 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 3 3 3 3 4 4 4 4 10 10 10 10 2 2 2 3 3 3 4 4 4 1 1 8 8 14 14 1 1 8 8 14 14 1 1 5 5 8 8 9 9 6 6 7 7 2 2 2 5 5 5 13 13 13 2 2 2 16 16 16 2 15 14 14 14 18 18 18 19 19 19 14 14 14 15 15 15 22 22 22 23 23 23 16 16 16 24 24 24 25 25 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 5 5 5 5 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 20 20 2 2 2 2 2 2 2 2 2 2 2 2 10 10 10 10 10 10 10 10 10 5 5 5 5 5 5 9 9 9 9 9 9 14 14 14 14 14 14 14 14 9 9 9 9 10 10 10 10 10 10 10 10 10 15 15 15 15 15 15 16 16 17 17 17 17 17 17 17 17 17 20 20 20 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 5 8 9 14 5 8 9 14 5 8 9 14 9 11 12 9 11 12 9 11 12 6 7 6 7 6 7 10 13 10 13 10 13 15 16 15 16 15 16 15 16 10 13 10 13 1 11 12 1 11 12 1 11 12 17 18 19 17 18 19 20 20 21 22 23 21 22 23 21 22 23 21 24 25 20 26 27 20 26 27 20 26 27 17 26 27 17 26 27 17 26 84.6552 -130.4291 127.225 -24.6622 -156.2686 -11.3528 -113.6987 94.414 -37.9793 106.9364 4.5905 -147.2968 -5.3875 112.0239 -121.2352 -120.522 -3.1106 123.6303 111.5727 -131.0159 -4.275 -56.1383 171.6372 158.0046 25.7801 53.8464 -78.3781 -4.6682 123.5462 -124.4418 3.7727 97.6631 -134.1225 -166.5044 11.9982 78.4645 -103.0328 -42.6115 135.8911 96.7818 -84.7156 36.769 -149.2576 179.8166 -6.21 4.6004 -113.4405 121.3538 55.595 -62.4459 172.3484 -118.226 123.7331 -1.4726 -171.6593 -50.9057 68.1673 10.1501 130.9037 -110.0233 -174.5456 3.5864 -39.9716 80.6809 -163.1937 -162.6005 -41.948 74.1775 79.9477 -159.3998 -43.2743 12.8227 135.5894 -107.6905 59.4641 -61.0749 -177.3626 -61.0005 178.4605 62.1728 -177.6013 61.8597 -54.4281 -42.581 78.0537 -165.4725 -166.8136 -46.1789 70.2949 77.0066 -162.3587 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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-D2 -0.0190533214 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 0 132.1177 AuxInfo=1/0/N:1;2;5;9;10;14;15;16;17;20;21;3;4;6;7;8;11;12;13;18;19;22;23;24;25;26;27/rA:27nC0C0H0H0C0H0H0H0C0C0H0H0H0C0C0C0C0H0H0C0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.8993,1.0935,.4939;1.3461,-.341,.4592;1.2123,1.74,-.0992;1.9423,1.4752,1.5225;1.8156,-1.0641,-.8019;1.5491,-.5356,-1.7271;1.5786,-2.1309,-.8202;1.2264,-.9194,1.3791;3.0108,-.6732,-.0855;3.2945,.801,-.0934;3.4762,1.2226,-1.0957;4.1261,1.0831,.5641;3.5876,-1.3963,.4948;-.5292,-.0957,.1297;-1.3045,-1.3408,.3759;-.8834,1.0628,-.2172;-2.7385,-1.054,-.13;-.8867,-2.2206,-.1429;-1.3084,-1.5882,1.4536;-2.3151,1.4595,-.3978;-3.2213,.3625,.2104;-2.754,-1.1808,-1.2264;-3.4336,-1.8015,.2847;-2.546,2.4388,.0526;-2.5213,1.5752,-1.4767;-3.2327,.4814,1.3081;-4.2616,.4939,-.131; 0.000000 1.537897 0.000000 1.114324 2.158775 0.000000 1.097922 2.187359 1.797983 0.000000 2.518228 1.527609 2.953120 3.444799 0.000000 2.776648 2.204322 2.818179 3.841585 1.098385 0.000000 3.496675 2.212389 3.954524 4.315580 1.092963 1.835341 0.000000 2.299575 1.093179 3.042664 2.503376 2.263761 3.146411 2.535474 0.000000 2.166175 1.782838 3.009695 2.888386 1.447305 2.202396 2.171676 2.321633 0.000000 1.541779 2.325088 2.284132 2.212286 2.483521 2.738985 3.474021 3.066790 1.501233 0.000000 2.242780 3.065922 2.527018 3.044931 2.841299 2.683952 3.863004 3.971672 2.197925 1.102407 0.000000 2.227918 3.125323 3.059695 2.416885 3.437290 3.809340 4.328500 3.616953 2.179486 1.097047 1.788020 0.000000 3.008212 2.477765 3.978830 3.465338 2.220717 3.135763 2.510928 2.566084 1.091914 2.293476 3.066035 2.538117 0.000000 2.728549 1.919766 2.540770 3.242853 2.702530 2.821457 3.080119 2.306849 3.593315 3.933836 4.391234 4.821899 4.332777 0.000000 4.025493 2.834107 4.006478 4.448180 3.346411 3.635087 3.219774 2.754900 4.391004 5.094974 5.620637 5.949994 4.893848 1.487245 0.000000 2.872315 2.720028 2.205595 3.343800 3.485669 3.278960 4.077332 3.305773 4.265658 4.187925 4.450066 5.070116 5.152039 1.260127 2.511259 0.000000 5.148909 4.188034 4.839139 5.571174 4.603397 4.604674 4.502600 4.244546 5.762153 6.311920 6.688662 7.223065 6.366101 2.422152 1.547456 2.816058 0.000000 4.376196 2.980063 4.482711 4.943239 3.012305 3.358879 2.558193 2.911151 4.193900 5.159004 5.638993 6.045047 4.594048 2.171924 1.103506 3.284257 2.188690 0.000000 4.289791 3.096881 4.454490 4.467236 3.888570 4.403422 3.714732 2.622614 4.675700 5.411903 6.106707 6.120544 4.992693 2.141802 1.105757 3.162274 2.199651 1.768201 0.000000 4.323260 4.168972 3.551147 4.670453 4.857387 4.547442 5.313209 4.621515 5.745547 5.656320 5.837972 6.523521 6.617689 2.426167 3.075988 1.496592 2.562997 3.955836 3.705359 0.000000 5.180292 4.627885 4.652994 5.442613 5.331933 5.226533 5.506145 4.773943 6.324499 6.537590 6.877603 7.391113 7.038080 2.731937 2.569550 2.477693 1.534758 3.499636 3.001623 1.547431 0.000000 5.457636 4.511898 5.053108 6.055241 4.590745 4.379904 4.454119 4.764507 5.898555 6.464981 6.678965 7.461060 6.574550 2.822413 2.166561 3.090543 1.103778 2.396278 3.072159 2.801855 2.159728 0.000000 6.071650 5.000843 5.854449 6.416284 5.410888 5.520575 5.143025 4.867320 6.552905 7.223801 7.667816 8.096157 7.035949 3.371781 2.180228 3.867789 1.101757 2.616279 2.434730 3.514456 2.175702 1.769379 0.000000 4.665323 4.800046 3.825721 4.820114 5.658930 5.365060 6.217393 5.221812 6.370354 6.067527 6.250118 6.827623 7.247331 3.239903 3.991400 2.174943 3.502923 4.949915 4.439716 1.102375 2.189076 3.844569 4.338481 0.000000 4.863914 4.730358 3.983082 5.378574 5.121526 4.591976 5.565580 5.331403 6.131505 6.027993 6.019902 6.971060 7.073557 3.056315 3.662804 2.128810 2.962078 4.342767 4.479433 1.104532 2.192522 2.777139 3.916348 1.756511 0.000000 5.232108 4.728822 4.829340 5.273865 5.685525 5.754290 5.873830 4.674428 6.500503 6.683600 7.164924 7.420728 7.120608 3.005034 2.812011 2.860699 2.161038 3.861342 2.829713 2.169963 1.104189 3.068518 2.509910 2.424688 3.075353 0.000000 6.221500 5.700095 5.614063 6.495006 6.309441 6.113184 6.439872 5.864759 7.365607 7.562431 7.831632 8.437061 8.097759 3.787608 3.516725 3.426848 2.171577 4.331108 3.945542 2.189162 1.102763 2.505422 2.475393 2.599963 2.451294 1.769158 0.000000 C11H16 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 0 132.1177 AuxInfo=1/0/N:1;2;5;9;10;14;15;16;17;20;21;3;4;6;7;8;11;12;13;18;19;22;23;24;25;26;27/rA:27nC0C0H0H0C0H0H0H0C0C0H0H0H0C0C0C0C0H0H0C0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.8993,1.0935,-.4939;-1.3461,-.341,-.4592;-1.2123,1.74,.0992;-1.9423,1.4752,-1.5225;-1.8156,-1.0641,.8019;-1.5491,-.5356,1.7271;-1.5786,-2.1309,.8202;-1.2264,-.9194,-1.3791;-3.0108,-.6732,.0855;-3.2945,.801,.0934;-3.4762,1.2226,1.0957;-4.1261,1.0831,-.5641;-3.5876,-1.3963,-.4948;.5292,-.0957,-.1297;1.3045,-1.3408,-.3759;.8834,1.0628,.2172;2.7385,-1.054,.13;.8867,-2.2206,.1429;1.3084,-1.5882,-1.4536;2.3151,1.4595,.3978;3.2213,.3625,-.2104;2.754,-1.1808,1.2264;3.4336,-1.8015,-.2847;2.546,2.4388,-.0526;2.5213,1.5752,1.4767;3.2327,.4814,-1.3081;4.2616,.4939,.131; 2.6486657 0.6244639 0.5443755 -10.34019 -10.32698 -10.32394 -10.30565 -10.29957 -10.29576 -10.28845 -10.28730 -10.28073 -10.27347 -10.23657 -0.99586 -0.91061 -0.83440 -0.81835 -0.80734 -0.76151 -0.69201 -0.68155 -0.66384 -0.63144 -0.61182 -0.55656 -0.55137 -0.53499 -0.52155 -0.50238 -0.49712 -0.48684 -0.48454 -0.46641 -0.45169 -0.43931 -0.42480 -0.41692 -0.40469 -0.40184 -0.39511 -0.34182 -0.29822 -0.23980 0.01687 0.11967 0.13911 0.14812 0.15871 0.16885 0.17891 0.18893 0.19205 0.20149 0.20689 0.21326 0.22077 0.22889 0.23065 0.24580 0.24674 0.25928 0.26760 0.29215 0.29455 0.30680 0.31760 0.33032 0.34850 0.35524 0.35929 0.40676 0.41914 0.45174 0.48224 0.50186 0.51217 0.52340 0.53236 0.54551 0.54586 0.56463 0.59211 0.60305 0.61751 0.62072 0.64217 0.65513 0.66494 0.67179 0.68439 0.69719 0.70516 0.71675 0.71874 0.73050 0.73303 0.73903 0.74708 0.75352 0.75735 0.76587 0.76801 0.77128 0.77864 0.78200 0.78624 0.78724 0.79319 0.79819 0.80760 0.80974 0.81700 0.81908 0.83013 0.84413 0.86403 0.86591 0.87894 0.90706 0.92358 0.96403 0.97102 1.00439 1.02851 1.07179 1.12635 1.16371 1.20069 1.20798 1.24041 1.26247 1.28165 1.30860 1.34971 1.36805 1.37740 1.40711 1.44713 1.45672 1.50078 1.52062 1.54244 1.58319 1.60464 1.63531 1.65332 1.68923 1.69614 1.72057 1.72976 1.75604 1.75943 1.76912 1.79770 1.81503 1.82963 1.83397 1.85554 1.86492 1.86800 1.88236 1.89066 1.89856 1.90228 1.90882 1.92359 1.93429 1.94516 1.94836 1.96756 1.97706 1.99196 1.99288 1.99885 2.00759 2.02443 2.03353 2.04205 2.04646 2.05673 2.06957 2.11400 2.11792 2.14382 2.17093 2.17655 2.20883 2.21542 2.24478 2.25785 2.27336 2.29622 2.32526 2.32990 2.34457 2.35337 2.37675 2.41032 2.42742 2.45060 2.49230 2.49763 2.52165 2.54391 2.56193 2.56907 2.58920 2.62694 2.63972 2.65852 2.69964 2.71658 2.74041 2.75040 2.78203 2.81208 2.81872 2.86959 2.87475 2.88632 2.91135 2.94173 2.95820 2.99300 3.01142 3.02012 3.03388 3.08916 3.09649 3.10208 3.11820 3.13123 3.17218 3.19333 3.27406 3.29052 -10.34019 -10.32698 -10.32394 -10.30565 -10.29957 -10.29576 -10.28845 -10.28730 -10.28073 -10.27347 -10.23657 -0.99586 -0.91061 -0.83440 -0.81835 -0.80734 -0.76151 -0.69201 -0.68155 -0.66384 -0.63144 -0.61182 -0.55656 -0.55137 -0.53499 -0.52155 -0.50238 -0.49712 -0.48684 -0.48454 -0.46641 -0.45169 -0.43931 -0.42480 -0.41692 -0.40469 -0.40184 -0.39511 -0.34182 -0.29822 -0.23980 0.01687 0.11967 0.13911 0.14812 0.15871 0.16885 0.17891 0.18893 0.19205 0.20149 0.20689 0.21326 0.22077 0.22889 0.23065 0.24580 0.24674 0.25928 0.26760 0.29215 0.29455 0.30680 0.31760 0.33032 0.34850 0.35524 0.35929 0.40676 0.41914 0.45174 0.48224 0.50186 0.51217 0.52340 0.53236 0.54551 0.54586 0.56463 0.59211 0.60305 0.61751 0.62072 0.64217 0.65513 0.66494 0.67179 0.68439 0.69719 0.70516 0.71675 0.71874 0.73050 0.73303 0.73903 0.74708 0.75352 0.75735 0.76587 0.76801 0.77128 0.77864 0.78200 0.78624 0.78724 0.79319 0.79819 0.80760 0.80974 0.81700 0.81908 0.83013 0.84413 0.86403 0.86591 0.87894 0.90706 0.92358 0.96403 0.97102 1.00439 1.02851 1.07179 1.12635 1.16371 1.20069 1.20798 1.24041 1.26247 1.28165 1.30860 1.34971 1.36805 1.37740 1.40711 1.44713 1.45672 1.50078 1.52062 1.54244 1.58319 1.60464 1.63531 1.65332 1.68923 1.69614 1.72057 1.72976 1.75604 1.75943 1.76912 1.79770 1.81503 1.82963 1.83397 1.85554 1.86492 1.86800 1.88236 1.89066 1.89856 1.90228 1.90882 1.92359 1.93429 1.94516 1.94836 1.96756 1.97706 1.99196 1.99288 1.99885 2.00759 2.02443 2.03353 2.04205 2.04646 2.05673 2.06957 2.11400 2.11792 2.14382 2.17093 2.17655 2.20883 2.21542 2.24478 2.25785 2.27336 2.29622 2.32526 2.32990 2.34457 2.35337 2.37675 2.41032 2.42742 2.45060 2.49230 2.49763 2.52165 2.54391 2.56193 2.56907 2.58920 2.62694 2.63972 2.65852 2.69964 2.71658 2.74041 2.75040 2.78203 2.81208 2.81872 2.86959 2.87475 2.88632 2.91135 2.94173 2.95820 2.99300 3.01142 3.02012 3.03388 3.08916 3.09649 3.10208 3.11820 3.13123 3.17218 3.19333 3.27406 3.29052 1-A. -1.9535 -2.1555 -0.5271 2.9563 -62.6584 -68.6709 -67.8980 0.9445 1.5318 0.0688 3.7507 -2.2618 -1.4889 0.9445 1.5318 0.0688 -14.5635 -10.0281 -0.8043 -3.7147 -0.2862 -4.9305 -2.0811 -1.0756 -1.5810 -0.2734 -2237.0217 -543.7378 -189.7722 3.7333 31.6421 10.4534 -4.5956 2.2797 0.6545 -457.4629 -407.2593 -121.9400 8.0380 1.7412 -3.2643 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 0 132.1177 AuxInfo=1/0/N:1;2;5;9;10;14;15;16;17;20;21;3;4;6;7;8;11;12;13;18;19;22;23;24;25;26;27/rA:27nC0C0H0H0C0H0H0H0C0C0H0H0H0C0C0C0C0H0H0C0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.8994,1.0934,.4943;1.3463,-.3412,.4595;1.2121,1.7398,-.0987;1.9425,1.4751,1.5228;1.8153,-1.0639,-.802;1.5484,-.5352,-1.7271;1.5784,-2.1307,-.8205;1.2267,-.9198,1.3792;3.0107,-.673,-.0859;3.2944,.8011,-.0935;3.4759,1.2231,-1.0957;4.1262,1.0829,.564;3.5877,-1.3963,.4939;-.5292,-.0958,.1301;-1.3046,-1.3408,.3764;-.8832,1.0627,-.2171;-2.7384,-1.0541,-.13;-.8867,-2.2208,-.1419;-1.3089,-1.5878,1.4542;-2.3149,1.4595,-.398;-3.2213,.3625,.21;-2.7536,-1.181,-1.2264;-3.4336,-1.8015,.2847;-2.5458,2.4388,.0525;-2.5209,1.5752,-1.4769;-3.2331,.4816,1.3077;-4.2614,.4939,-.1318; 0.000000 1.537908 0.000000 1.114386 2.158690 0.000000 1.097923 2.187444 1.798051 0.000000 2.518242 1.527644 2.952828 3.444938 0.000000 2.776652 2.204388 2.817796 3.841627 1.098383 0.000000 3.496681 2.212400 3.954243 4.315732 1.092963 1.835362 0.000000 2.299716 1.093177 3.042693 2.503695 2.263822 3.146447 2.535459 0.000000 2.166054 1.782631 3.009432 2.888480 1.447287 2.202421 2.171648 2.321626 0.000000 1.541764 2.325075 2.284134 2.212345 2.483629 2.739155 3.474092 3.066928 1.501239 0.000000 2.242803 3.066055 2.527025 3.044903 2.841539 2.684319 3.863224 3.971889 2.198005 1.102404 0.000000 2.227894 3.125169 3.059853 2.416943 3.437320 3.809491 4.328457 3.616933 2.179433 1.097048 1.788034 0.000000 3.008134 2.477542 3.978645 3.465542 2.220661 3.135751 2.510825 2.566059 1.091914 2.293443 3.066030 2.537982 0.000000 2.728554 1.919927 2.540438 3.242953 2.702309 2.821013 3.079975 2.307074 3.593115 3.933789 4.391224 4.821844 4.332670 0.000000 4.025529 2.834314 4.006166 4.448266 3.346467 3.634939 3.219936 2.755082 4.391041 5.095080 5.620830 5.950025 4.893969 1.487242 0.000000 2.872274 2.720141 2.205173 3.343945 3.485168 3.278078 4.076939 3.306092 4.265238 4.187662 4.449698 5.069973 5.151774 1.260135 2.511254 0.000000 5.148909 4.188180 4.838748 5.571351 4.603038 4.603960 4.502309 4.244818 5.761912 6.311816 6.688525 7.222991 6.365997 2.422142 1.547446 2.816057 0.000000 4.376173 2.980057 4.482498 4.943178 3.012388 3.359047 2.558301 2.910805 4.193805 5.159076 5.639325 6.044936 4.593853 2.171934 1.103508 3.284334 2.188711 0.000000 4.289918 3.097325 4.454168 4.467367 3.889109 4.403636 3.715512 2.623183 4.676243 5.412295 6.107135 6.120851 4.993456 2.141784 1.105757 3.162170 2.199619 1.768199 0.000000 4.323221 4.169115 3.550713 4.670646 4.856815 4.546378 5.312749 4.621933 5.745107 5.656009 5.837458 6.523375 6.617446 2.426180 3.075982 1.496591 2.563035 3.955957 3.705182 0.000000 5.180382 4.628165 4.652622 5.442956 5.331563 5.225654 5.505877 4.774515 6.324319 6.537509 6.877341 7.391166 7.038132 2.731982 2.569530 2.477727 1.534761 3.499667 3.001480 1.547435 0.000000 5.457487 4.511818 5.052661 6.055275 4.590014 4.378878 4.453380 4.764482 5.897929 6.464605 6.678594 7.460708 6.573973 2.822341 2.166562 3.090510 1.103779 2.396373 3.072164 2.801946 2.159745 0.000000 6.071707 5.001058 5.854085 6.416516 5.410693 5.520018 5.142920 4.867665 6.552837 7.223817 7.667797 8.096191 7.036048 3.371790 2.180223 3.867796 1.101757 2.616241 2.434745 3.514477 2.175691 1.769383 0.000000 4.665272 4.800180 3.825296 4.820297 5.658396 5.364029 6.216977 5.222269 6.369957 6.067217 6.249545 6.827522 7.247168 3.239859 3.991296 2.174925 3.502922 4.949937 4.439375 1.102376 2.189066 3.844669 4.338454 0.000000 4.863800 4.730439 3.982637 5.378675 5.120795 4.590745 5.564963 5.331720 6.130857 6.027497 6.019192 6.970725 7.073060 3.056403 3.662964 2.128815 2.962242 4.343121 4.479427 1.104532 2.192532 2.777399 3.916487 1.756504 0.000000 5.232454 4.729386 4.829159 5.274474 5.685545 5.753767 5.873969 4.675362 6.500762 6.683880 7.164983 7.421160 7.121174 3.005214 2.812022 2.860861 2.161037 3.861346 2.829559 2.169975 1.104189 3.068527 2.509852 2.424606 3.075338 0.000000 6.221543 5.700313 5.613645 6.495351 6.308906 6.112088 6.439431 5.865302 7.365292 7.562233 7.831200 8.437033 8.097690 3.787618 3.516701 3.426843 2.171567 4.331129 3.945435 2.189153 1.102763 2.505397 2.475391 2.600027 2.451210 1.769152 0.000000 C11H16 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 0 132.1177 AuxInfo=1/0/N:1;2;5;9;10;14;15;16;17;20;21;3;4;6;7;8;11;12;13;18;19;22;23;24;25;26;27/rA:27nC0C0H0H0C0H0H0H0C0C0H0H0H0C0C0C0C0H0H0C0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.8994,1.0933,-.4942;-1.3463,-.3412,-.4594;-1.2122,1.7397,.0987;-1.9426,1.475,-1.5228;-1.8152,-1.064,.8021;-1.5483,-.5352,1.7271;-1.5783,-2.1308,.8205;-1.2267,-.9199,-1.3792;-3.0106,-.6731,.086;-3.2945,.801,.0936;-3.476,1.2229,1.0957;-4.1262,1.0827,-.564;-3.5876,-1.3965,-.4939;.5292,-.0958,-.13;1.3047,-1.3407,-.3764;.8832,1.0627,.2171;2.7385,-1.054,.1301;.8868,-2.2207,.142;1.3089,-1.5877,-1.4542;2.3148,1.4596,.398;3.2213,.3626,-.21;2.7537,-1.1809,1.2264;3.4337,-1.8014,-.2847;2.5457,2.4389,-.0524;2.5208,1.5754,1.4769;3.2331,.4817,-1.3077;4.2614,.4941,.1318; 2.6485693 0.6244852 0.5444087 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 0 132.1177 AuxInfo=1/0/N:1;2;5;9;10;14;15;16;17;20;21;3;4;6;7;8;11;12;13;18;19;22;23;24;25;26;27/rA:27nC0C0H0H0C0H0H0H0C0C0H0H0H0C0C0C0C0H0H0C0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.8994,1.0934,.4943;1.3463,-.3412,.4595;1.2121,1.7398,-.0987;1.9425,1.4751,1.5228;1.8153,-1.0639,-.802;1.5484,-.5352,-1.7271;1.5784,-2.1307,-.8205;1.2267,-.9198,1.3792;3.0107,-.673,-.0859;3.2944,.8011,-.0935;3.4759,1.2231,-1.0957;4.1262,1.0829,.564;3.5877,-1.3963,.4939;-.5292,-.0958,.1301;-1.3046,-1.3408,.3764;-.8832,1.0627,-.2171;-2.7384,-1.0541,-.13;-.8867,-2.2208,-.1419;-1.3089,-1.5878,1.4542;-2.3149,1.4595,-.398;-3.2213,.3625,.21;-2.7536,-1.181,-1.2264;-3.4336,-1.8015,.2847;-2.5458,2.4388,.0525;-2.5209,1.5752,-1.4769;-3.2331,.4816,1.3077;-4.2614,.4939,-.1318; 0.000000 1.537908 0.000000 1.114386 2.158690 0.000000 1.097923 2.187444 1.798051 0.000000 2.518242 1.527644 2.952828 3.444938 0.000000 2.776652 2.204388 2.817796 3.841627 1.098383 0.000000 3.496681 2.212400 3.954243 4.315732 1.092963 1.835362 0.000000 2.299716 1.093177 3.042693 2.503695 2.263822 3.146447 2.535459 0.000000 2.166054 1.782631 3.009432 2.888480 1.447287 2.202421 2.171648 2.321626 0.000000 1.541764 2.325075 2.284134 2.212345 2.483629 2.739155 3.474092 3.066928 1.501239 0.000000 2.242803 3.066055 2.527025 3.044903 2.841539 2.684319 3.863224 3.971889 2.198005 1.102404 0.000000 2.227894 3.125169 3.059853 2.416943 3.437320 3.809491 4.328457 3.616933 2.179433 1.097048 1.788034 0.000000 3.008134 2.477542 3.978645 3.465542 2.220661 3.135751 2.510825 2.566059 1.091914 2.293443 3.066030 2.537982 0.000000 2.728554 1.919927 2.540438 3.242953 2.702309 2.821013 3.079975 2.307074 3.593115 3.933789 4.391224 4.821844 4.332670 0.000000 4.025529 2.834314 4.006166 4.448266 3.346467 3.634939 3.219936 2.755082 4.391041 5.095080 5.620830 5.950025 4.893969 1.487242 0.000000 2.872274 2.720141 2.205173 3.343945 3.485168 3.278078 4.076939 3.306092 4.265238 4.187662 4.449698 5.069973 5.151774 1.260135 2.511254 0.000000 5.148909 4.188180 4.838748 5.571351 4.603038 4.603960 4.502309 4.244818 5.761912 6.311816 6.688525 7.222991 6.365997 2.422142 1.547446 2.816057 0.000000 4.376173 2.980057 4.482498 4.943178 3.012388 3.359047 2.558301 2.910805 4.193805 5.159076 5.639325 6.044936 4.593853 2.171934 1.103508 3.284334 2.188711 0.000000 4.289918 3.097325 4.454168 4.467367 3.889109 4.403636 3.715512 2.623183 4.676243 5.412295 6.107135 6.120851 4.993456 2.141784 1.105757 3.162170 2.199619 1.768199 0.000000 4.323221 4.169115 3.550713 4.670646 4.856815 4.546378 5.312749 4.621933 5.745107 5.656009 5.837458 6.523375 6.617446 2.426180 3.075982 1.496591 2.563035 3.955957 3.705182 0.000000 5.180382 4.628165 4.652622 5.442956 5.331563 5.225654 5.505877 4.774515 6.324319 6.537509 6.877341 7.391166 7.038132 2.731982 2.569530 2.477727 1.534761 3.499667 3.001480 1.547435 0.000000 5.457487 4.511818 5.052661 6.055275 4.590014 4.378878 4.453380 4.764482 5.897929 6.464605 6.678594 7.460708 6.573973 2.822341 2.166562 3.090510 1.103779 2.396373 3.072164 2.801946 2.159745 0.000000 6.071707 5.001058 5.854085 6.416516 5.410693 5.520018 5.142920 4.867665 6.552837 7.223817 7.667797 8.096191 7.036048 3.371790 2.180223 3.867796 1.101757 2.616241 2.434745 3.514477 2.175691 1.769383 0.000000 4.665272 4.800180 3.825296 4.820297 5.658396 5.364029 6.216977 5.222269 6.369957 6.067217 6.249545 6.827522 7.247168 3.239859 3.991296 2.174925 3.502922 4.949937 4.439375 1.102376 2.189066 3.844669 4.338454 0.000000 4.863800 4.730439 3.982637 5.378675 5.120795 4.590745 5.564963 5.331720 6.130857 6.027497 6.019192 6.970725 7.073060 3.056403 3.662964 2.128815 2.962242 4.343121 4.479427 1.104532 2.192532 2.777399 3.916487 1.756504 0.000000 5.232454 4.729386 4.829159 5.274474 5.685545 5.753767 5.873969 4.675362 6.500762 6.683880 7.164983 7.421160 7.121174 3.005214 2.812022 2.860861 2.161037 3.861346 2.829559 2.169975 1.104189 3.068527 2.509852 2.424606 3.075338 0.000000 6.221543 5.700313 5.613645 6.495351 6.308906 6.112088 6.439431 5.865302 7.365292 7.562233 7.831200 8.437033 8.097690 3.787618 3.516701 3.426843 2.171567 4.331129 3.945435 2.189153 1.102763 2.505397 2.475391 2.600027 2.451210 1.769152 0.000000 C11H16 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 0 132.1177 AuxInfo=1/0/N:1;2;5;9;10;14;15;16;17;20;21;3;4;6;7;8;11;12;13;18;19;22;23;24;25;26;27/rA:27nC0C0H0H0C0H0H0H0C0C0H0H0H0C0C0C0C0H0H0C0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.8994,1.0933,-.4942;-1.3463,-.3412,-.4594;-1.2122,1.7397,.0987;-1.9426,1.475,-1.5228;-1.8152,-1.064,.8021;-1.5483,-.5352,1.7271;-1.5783,-2.1308,.8205;-1.2267,-.9199,-1.3792;-3.0106,-.6731,.086;-3.2945,.801,.0936;-3.476,1.2229,1.0957;-4.1262,1.0827,-.564;-3.5876,-1.3965,-.4939;.5292,-.0958,-.13;1.3047,-1.3407,-.3764;.8832,1.0627,.2171;2.7385,-1.054,.1301;.8868,-2.2207,.142;1.3089,-1.5877,-1.4542;2.3148,1.4596,.398;3.2213,.3626,-.21;2.7537,-1.1809,1.2264;3.4337,-1.8014,-.2847;2.5457,2.4389,-.0524;2.5208,1.5754,1.4769;3.2331,.4817,-1.3077;4.2614,.4941,.1318; 2.6485693 0.6244852 0.5444087 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= 244 244 244 244 244 MxSgAt= 27 MxSgA2= 27. 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 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= 244 244 244 244 244 MxSgAt= 27 MxSgA2= 27. 1 -0.0000 Using compressed storage, NAtomX= 27. Will process 28 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=111111111111111111111111111 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. 8117 words used for storage of precomputed grid. Keep R1 and R2 ints in memory in canonical form, NReq=1531406365. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 27495 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Two-electron integral symmetry not used. MDV= 3221225472 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 0. There are 84 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 81 vectors produced by pass 0 Test12= 1.88D-14 1.19D-09 XBig12= 2.44D+02 8.32D+00. AX will form 81 AO Fock derivatives at one time. 81 vectors produced by pass 1 Test12= 1.88D-14 1.19D-09 XBig12= 3.16D+01 4.28D-01. 81 vectors produced by pass 2 Test12= 1.88D-14 1.19D-09 XBig12= 7.83D-01 7.20D-02. 81 vectors produced by pass 3 Test12= 1.88D-14 1.19D-09 XBig12= 6.40D-03 6.05D-03. 81 vectors produced by pass 4 Test12= 1.88D-14 1.19D-09 XBig12= 4.21D-05 5.30D-04. 81 vectors produced by pass 5 Test12= 1.88D-14 1.19D-09 XBig12= 2.17D-07 2.78D-05. 64 vectors produced by pass 6 Test12= 1.88D-14 1.19D-09 XBig12= 9.87D-10 2.06D-06. 16 vectors produced by pass 7 Test12= 1.88D-14 1.19D-09 XBig12= 4.64D-12 1.78D-07. 3 vectors produced by pass 8 Test12= 1.88D-14 1.19D-09 XBig12= 2.05D-14 9.45D-09. 2 vectors produced by pass 9 Test12= 1.88D-14 1.19D-09 XBig12= 1.49D-16 3.67D-09. 1 vectors produced by pass 10 Test12= 1.88D-14 1.19D-09 XBig12= 1.17D-17 1.30D-09. InvSVY: IOpt=1 It= 1 EMax= 7.11D-15 Solved reduced A of dimension 572 with 84 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 134.37 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 196.018 17.761 117.319 -0.140 2.818 89.759 198.769 35.694 149.833 2.325 7.707 110.254 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 C C H H C H H H C C H H H C C C C H H C C H H H H H H 13 13 1 1 13 1 1 1 13 13 1 1 1 13 13 13 13 1 1 13 13 1 1 1 1 1 1 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00003 0.00002 -0.00000 0.00001 0.00002 -0.00001 -0.00000 -0.00001 -0.00007 0.00003 -0.00002 -0.00001 0.00002 0.00004 -0.00000 -0.00002 0.00000 0.00001 0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00002 0.00001 -0.00001 -0.00000 0.00001 0.00002 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00002 0.00001 -0.00001 -0.00000 0.00001 0.00001 -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 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 -0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 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 -0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 0.7641 0.5906 -0.2596 -0.6274 0.7739 -0.0858 0.1503 0.2285 0.9619 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 1 C 13 0.014 -0.2611 0.9652 -0.2586 0.9315 0.2557 0.9659 0.2532 0.0545 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 2 C 13 0.6357 0.424 0.6451 -0.463 -0.4592 0.7581 -0.6177 0.7806 0.0956 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 3 H 1 -0.2559 -0.3391 0.9053 0.6467 0.636 0.421 0.7185 -0.6932 -0.0565 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 4 H 1 0.1531 -0.3616 0.9197 -0.0819 0.9228 0.3765 0.9848 0.133 -0.1116 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 5 C 13 0.8692 -0.1112 0.4818 0.1867 0.9761 -0.1116 -0.4578 0.1869 0.8692 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 6 H 1 0.7704 -0.2446 0.5887 -0.468 0.41 0.7829 0.4328 0.8787 -0.2014 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 7 H 1 -0.0065 0.8117 -0.584 0.9881 -0.0845 -0.1284 0.1536 0.5779 0.8015 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 8 H 1 -0.5775 -0.2156 0.7874 -0.112 0.9763 0.1851 0.8086 -0.0188 0.588 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 9 C 13 -0.3093 0.1356 0.9413 0.943 -0.0838 0.3219 0.1225 0.9872 -0.1019 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 10 C 13 0.0154 0.9998 -0.012 0.9684 -0.012 0.2489 -0.2488 0.0154 0.9684 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 11 H 1 -0.1707 0.985 0.0255 -0.6475 -0.1317 0.7506 0.7427 0.1116 0.6603 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 12 H 1 0.4503 0.6647 0.5961 -0.5879 -0.2817 0.7583 -0.672 0.6919 -0.264 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 13 H 1 -0.0212 0.9752 0.2203 0.987 0.0556 -0.1511 0.1596 -0.2142 0.9637 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 14 C 13 0.5424 0.5894 0.5986 -0.388 -0.4563 0.8008 0.7452 -0.6666 -0.0189 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 15 C 13 -0.0333 -0.3332 0.9423 0.3346 0.8847 0.3247 0.9418 -0.3261 -0.082 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 16 C 13 0.0025 0.9702 -0.2422 -0.2131 0.2371 0.9478 0.977 0.0493 0.2074 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 17 C 13 -0.4157 0.0277 0.9091 0.855 0.3527 0.3803 -0.3101 0.9353 -0.1703 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 18 H 1 0.584 0.7196 -0.3757 0.6252 -0.1035 0.7736 -0.5178 0.6867 0.5103 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 19 H 1 -0.1417 0.0577 0.9882 -0.1651 0.9829 -0.0811 0.976 0.1746 0.1298 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 20 C 13 0.4741 0.8197 -0.3214 0.4068 0.1199 0.9056 0.7809 -0.5601 -0.2766 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 21 C 13 0.0951 0.9884 0.1182 0.7682 0.0026 -0.6402 0.6331 -0.1517 0.7591 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 22 H 1 -0.272 -0.6157 0.7396 0.6008 0.4917 0.6303 0.7517 -0.6158 -0.2362 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 23 H 1 -0.273 0.3104 0.9105 0.9297 -0.1581 0.3327 0.2473 0.9373 -0.2454 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 24 H 1 -0.6176 0.7523 -0.2294 0.7703 0.5197 -0.3695 0.1587 0.4049 0.9005 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 25 H 1 -0.4331 0.9012 0.0186 0.7916 0.3704 0.486 -0.4311 -0.2252 0.8738 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 26 H 1 -7.68560075e-01 -8.48019462e-01 -2.07382142e-01 1.96018402e+02 1.77606307e+01 1.17319017e+02 -1.40159626e-01 2.81763889e+00 8.97592945e+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 6 6 1 1 6 1 1 1 6 6 1 1 1 6 6 6 6 1 1 6 6 1 1 1 1 1 1 0.000035649 -0.000019573 0.000018364 -0.000026125 0.000002054 0.000021621 -0.000020232 0.000005527 -0.000019728 0.000000375 0.000004025 -0.000001852 0.000003013 -0.000007000 -0.000002562 0.000000079 -0.000003762 -0.000002524 -0.000001014 -0.000001862 0.000002821 0.000002031 -0.000005492 -0.000001234 -0.000015088 0.000015147 -0.000015232 0.000006379 0.000003962 -0.000004320 0.000001230 0.000001010 -0.000000172 0.000000852 -0.000004581 0.000000585 -0.000004535 -0.000000202 0.000002860 0.000036763 -0.000033287 0.000005854 -0.000015029 0.000006710 -0.000003550 -0.000006626 0.000025537 -0.000005616 0.000001563 -0.000003635 0.000001815 0.000001290 -0.000000085 0.000002750 -0.000001628 0.000003215 0.000001772 0.000000573 0.000000847 -0.000002107 0.000002814 0.000002422 0.000001094 -0.000001508 -0.000000072 0.000000501 -0.000001683 0.000002447 0.000001543 0.000001524 0.000001157 -0.000000478 -0.000000238 0.000001207 -0.000000862 -0.000001015 0.000002761 -0.000000105 0.000000585 0.000001523 -0.000001237 0.000036763 0.000010273 (Enter /u/local/apps/gaussian/G16_C02/g16_avx2/l716.exe) open 1 1 1 -428.010471553266 -428.064304779727 -0.053833226461 -428.132433018296 -0.068128238569 -428.141271901821 -0.008838883525 -428.143294580758 -0.002022678937 -428.145013772185 -0.001719191427 -428.145920008551 -0.000906236366 -428.146589142349 -0.000669133799 -428.147199141992 -0.000609999643 -428.147597254763 -0.000398112771 -428.147777901539 -0.000180646776 -428.147946627980 -0.000168726441 -428.148004359405 -0.000057731424 -428.148054168897 -0.000049809493 -428.148069094027 -0.000014925130 -428.148081391669 -0.000012297642 -428.148090192928 -0.000008801260 -428.148095835493 -0.000005642565 -428.148098846136 -0.000003010643 -428.148099494479 -0.000000648344 -428.148099410667 0.000000083813 -428.148099536128 -0.000000125461 -428.148099534427 0.000000001701 -428.148099542141 -0.000000007714 -428.148099542377 -0.000000000236 -428.148099542618 -0.000000000241 -428.148099542620 -0.000000000002 -428.148099542624 -0.000000000004 -428.148099542627 -0.000000000003 -428.148099542631 -0.000000000004 -428.148099542627 0.000000000003 -428.148099543 31 0.0000 4.229434964350e+02 -2.193507811985e+03 7.401253628227e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 3221225472 LenX= 3221098986 LenY= 3221038520 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. 0.0000 Using compressed storage, NAtomX= 27. Will process 28 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=111111111111111111111111111 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. 8117 words used for storage of precomputed grid. Keep R1 and R2 ints in memory in canonical form, NReq=1531406365. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 27495 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Two-electron integral symmetry not used. MDV= 3221225472 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 0. There are 84 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 81 vectors produced by pass 0 Test12= 1.88D-14 1.19D-09 XBig12= 2.44D+02 8.31D+00. AX will form 81 AO Fock derivatives at one time. 81 vectors produced by pass 1 Test12= 1.88D-14 1.19D-09 XBig12= 3.15D+01 4.28D-01. 81 vectors produced by pass 2 Test12= 1.88D-14 1.19D-09 XBig12= 7.81D-01 7.20D-02. 81 vectors produced by pass 3 Test12= 1.88D-14 1.19D-09 XBig12= 6.39D-03 6.04D-03. 81 vectors produced by pass 4 Test12= 1.88D-14 1.19D-09 XBig12= 4.21D-05 5.29D-04. 81 vectors produced by pass 5 Test12= 1.88D-14 1.19D-09 XBig12= 2.16D-07 2.78D-05. 68 vectors produced by pass 6 Test12= 1.88D-14 1.19D-09 XBig12= 9.94D-10 2.12D-06. 16 vectors produced by pass 7 Test12= 1.88D-14 1.19D-09 XBig12= 6.90D-12 6.17D-07. 3 vectors produced by pass 8 Test12= 1.88D-14 1.19D-09 XBig12= 4.34D-14 2.98D-08. 3 vectors produced by pass 9 Test12= 1.88D-14 1.19D-09 XBig12= 1.30D-15 1.39D-08. InvSVY: IOpt=1 It= 1 EMax= 7.11D-15 Solved reduced A of dimension 576 with 84 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 134.35 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 195.962 17.745 117.315 -0.144 2.818 89.762 198.682 35.655 149.821 2.316 7.707 110.259 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 C C H H C H H H C C H H H C C C C H H C C H H H H H H 13 13 1 1 13 1 1 1 13 13 1 1 1 13 13 13 13 1 1 13 13 1 1 1 1 1 1 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00007 0.00006 0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00003 0.00008 -0.00002 0.00002 0.00000 -0.00002 0.00012 -0.00005 -0.00036 0.00002 0.00001 0.00001 -0.00002 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00001 0.00003 0.00002 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00003 -0.00001 0.00001 0.00000 -0.00001 0.00004 -0.00002 -0.00013 0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00002 0.00002 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00003 -0.00001 0.00001 0.00000 -0.00001 0.00004 -0.00002 -0.00012 0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 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 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 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 -0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 0.000001 0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000001 -0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.5499 0.5874 0.5937 0.8275 -0.4797 -0.2918 -0.1134 -0.6518 0.7499 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 1 C 13 0.966 0.2415 0.0919 -0.2574 0.9312 0.2583 -0.0232 -0.2732 0.9617 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 2 C 13 0.9721 -0.066 0.2249 -0.195 0.3044 0.9324 0.13 0.9503 -0.283 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 3 H 1 0.7364 0.1339 0.6632 -0.5552 0.6798 0.4792 0.3867 0.7211 -0.5749 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 4 H 1 -0.1419 0.8698 0.4725 0.8159 -0.1675 0.5534 -0.5605 -0.4641 0.6859 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 5 C 13 0.4404 0.7786 -0.447 0.7259 -0.6018 -0.3331 0.5283 0.1778 0.8302 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 6 H 1 0.5573 0.6287 0.5424 -0.6018 -0.1442 0.7855 -0.5721 0.7641 -0.298 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 7 H 1 0.1538 0.8081 0.5687 0.8635 -0.3897 0.3202 -0.4804 -0.4418 0.7577 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 8 H 1 0.6578 0.3447 0.6696 -0.3702 0.9223 -0.1111 -0.6559 -0.1748 0.7343 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 9 C 13 0.7995 0.5792 -0.1591 0.3181 -0.1835 0.9301 -0.5095 0.7943 0.331 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 10 C 13 0.932 0.2554 -0.2571 0.33 -0.3051 0.8933 -0.1497 0.9175 0.3686 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 11 H 1 0.7971 0.4779 0.3691 -0.4356 0.0319 0.8996 -0.4182 0.8778 -0.2336 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 12 H 1 -0.5909 0.7251 -0.3537 -0.6372 -0.1505 0.7559 0.4949 0.672 0.551 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 13 H 1 -0.233 0.9308 0.2816 -0.1567 -0.3218 0.9338 0.9598 0.1735 0.2208 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 14 C 13 -0.5443 0.8195 0.1794 0.8315 0.5553 -0.0136 0.1108 -0.1418 0.9837 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 15 C 13 0.7464 -0.6654 0.0111 -0.1857 -0.1922 0.9636 0.6391 0.7213 0.2671 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 16 C 13 -0.2962 0.9099 0.2905 -0.2807 -0.3736 0.8841 0.9129 0.1803 0.3661 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 17 C 13 0.4611 0.7633 -0.4525 -0.0091 0.5139 0.8578 0.8873 -0.3914 0.2439 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 18 H 1 0.24 0.1019 0.9654 0.0972 0.987 -0.1283 0.9659 -0.1246 -0.227 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 19 H 1 0.9949 -0.0392 0.0927 -0.0982 -0.5805 0.8083 -0.0221 0.8133 0.5814 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 20 C 13 -0.6377 0.7028 0.3153 0.0801 -0.3466 0.9346 0.7661 0.6213 0.1647 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 21 C 13 -0.2494 0.9601 -0.1265 0.7111 0.093 -0.6969 0.6573 0.2637 0.7059 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 22 H 1 -0.0841 0.9957 0.0387 0.044 -0.0351 0.9984 0.9955 0.0857 -0.0409 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 23 H 1 0.7829 0.5897 -0.1984 -0.5592 0.8067 0.1912 0.2728 -0.0387 0.9613 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 24 H 1 0.7498 0.0824 0.6565 -0.6294 0.3948 0.6693 0.2041 0.9151 -0.3479 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 25 H 1 -0.4909 0.4006 0.7737 0.6301 -0.45 0.6328 0.6016 0.7981 -0.0316 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 26 H 1 (Enter /u/local/apps/gaussian/G16_C02/g16_avx2/l716.exe) Rotating derivatives to standard orientation. PT7615S Thu Jun 19 21:58:34 2025 -10.34019 -10.32698 -10.32394 -10.30565 -10.29958 -10.29576 -10.28845 -10.28730 -10.28072 -10.27347 -10.23656 -0.99587 -0.91061 -0.83441 -0.81835 -0.80733 -0.76150 -0.69201 -0.68155 -0.66384 -0.63143 -0.61182 -0.55656 -0.55137 -0.53499 -0.52154 -0.50238 -0.49712 -0.48682 -0.48455 -0.46641 -0.45169 -0.43931 -0.42480 -0.41692 -0.40468 -0.40183 -0.39511 -0.34181 -0.29821 -0.23981 0.01691 0.11967 0.13911 0.14812 0.15872 0.16885 0.17892 0.18893 0.19205 0.20149 0.20689 0.21324 0.22077 0.22889 0.23066 0.24580 0.24673 0.25927 0.26758 0.29217 0.29456 0.30679 0.31761 0.33032 0.34851 0.35525 0.35929 0.40677 0.41914 0.45173 0.48226 0.50186 0.51217 0.52338 0.53237 0.54552 0.54585 0.56462 0.59210 0.60307 0.61750 0.62072 0.64216 0.65514 0.66494 0.67179 0.68440 0.69718 0.70515 0.71674 0.71874 0.73051 0.73303 0.73903 0.74706 0.75353 0.75736 0.76588 0.76801 0.77127 0.77865 0.78200 0.78623 0.78723 0.79322 0.79818 0.80762 0.80974 0.81700 0.81908 0.83015 0.84411 0.86404 0.86591 0.87893 0.90703 0.92357 0.96400 0.97110 1.00439 1.02853 1.07179 1.12639 1.16368 1.20068 1.20798 1.24036 1.26247 1.28161 1.30859 1.34972 1.36813 1.37738 1.40713 1.44714 1.45674 1.50082 1.52063 1.54244 1.58319 1.60461 1.63530 1.65331 1.68922 1.69616 1.72059 1.72974 1.75605 1.75942 1.76910 1.79775 1.81503 1.82964 1.83398 1.85554 1.86492 1.86799 1.88236 1.89068 1.89855 1.90226 1.90881 1.92357 1.93429 1.94515 1.94837 1.96756 1.97705 1.99195 1.99289 1.99886 2.00761 2.02444 2.03352 2.04206 2.04647 2.05670 2.06956 2.11401 2.11792 2.14379 2.17090 2.17654 2.20885 2.21543 2.24479 2.25784 2.27337 2.29622 2.32525 2.32989 2.34455 2.35337 2.37672 2.41033 2.42743 2.45063 2.49233 2.49763 2.52165 2.54385 2.56193 2.56905 2.58917 2.62692 2.63970 2.65853 2.69962 2.71659 2.74042 2.75040 2.78207 2.81209 2.81871 2.86957 2.87472 2.88635 2.91130 2.94173 2.95821 2.99299 3.01142 3.02012 3.03390 3.08913 3.09649 3.10208 3.11819 3.13122 3.17217 3.19337 3.27405 3.29051 -10.34019 -10.32698 -10.32394 -10.30565 -10.29958 -10.29576 -10.28845 -10.28730 -10.28072 -10.27347 -10.23656 -0.99587 -0.91061 -0.83441 -0.81835 -0.80733 -0.76150 -0.69201 -0.68155 -0.66384 -0.63143 -0.61182 -0.55656 -0.55137 -0.53499 -0.52154 -0.50238 -0.49712 -0.48682 -0.48455 -0.46641 -0.45169 -0.43931 -0.42480 -0.41692 -0.40468 -0.40183 -0.39511 -0.34181 -0.29821 -0.23982 0.01691 0.11967 0.13911 0.14812 0.15872 0.16885 0.17892 0.18893 0.19205 0.20149 0.20689 0.21324 0.22077 0.22889 0.23066 0.24580 0.24673 0.25927 0.26758 0.29217 0.29456 0.30679 0.31761 0.33032 0.34851 0.35525 0.35929 0.40677 0.41914 0.45173 0.48226 0.50186 0.51217 0.52338 0.53237 0.54552 0.54585 0.56462 0.59210 0.60307 0.61750 0.62072 0.64216 0.65514 0.66494 0.67179 0.68440 0.69718 0.70515 0.71674 0.71874 0.73051 0.73303 0.73903 0.74706 0.75353 0.75736 0.76588 0.76801 0.77127 0.77865 0.78200 0.78623 0.78723 0.79322 0.79818 0.80762 0.80974 0.81700 0.81908 0.83015 0.84411 0.86404 0.86591 0.87893 0.90703 0.92357 0.96400 0.97110 1.00439 1.02853 1.07179 1.12639 1.16368 1.20068 1.20798 1.24036 1.26247 1.28161 1.30859 1.34972 1.36813 1.37738 1.40713 1.44714 1.45674 1.50082 1.52063 1.54244 1.58319 1.60461 1.63530 1.65331 1.68922 1.69616 1.72059 1.72974 1.75605 1.75942 1.76910 1.79775 1.81503 1.82964 1.83398 1.85554 1.86492 1.86799 1.88236 1.89068 1.89855 1.90226 1.90881 1.92357 1.93429 1.94515 1.94837 1.96756 1.97705 1.99195 1.99289 1.99886 2.00761 2.02444 2.03352 2.04206 2.04647 2.05670 2.06956 2.11401 2.11792 2.14379 2.17090 2.17654 2.20885 2.21543 2.24479 2.25784 2.27337 2.29622 2.32525 2.32989 2.34455 2.35337 2.37672 2.41033 2.42743 2.45063 2.49233 2.49763 2.52165 2.54385 2.56193 2.56905 2.58917 2.62692 2.63970 2.65853 2.69962 2.71659 2.74042 2.75040 2.78207 2.81209 2.81871 2.86957 2.87472 2.88635 2.91130 2.94173 2.95821 2.99299 3.01142 3.02012 3.03390 3.08913 3.09649 3.10208 3.11819 3.13122 3.17217 3.19337 3.27405 3.29051 1-A. -7.68429963e-01 -8.48043049e-01 -2.07197908e-01 1.95962041e+02 1.77449049e+01 1.17315203e+02 -1.43807451e-01 2.81817476e+00 8.97622118e+01 -562.4684 -9.6270 -6.7944 0.0002 0.0005 0.0006 3.6629 50.7275 78.0442 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -562.4683 50.7209 78.0381 108.5400 156.6025 217.7935 229.7206 270.0814 295.4573 344.9266 402.6840 463.2248 482.8490 490.7162 618.0823 643.3587 782.9261 801.5222 815.3323 825.5513 840.7123 908.2510 919.5870 929.4301 937.1784 944.1397 964.7250 992.2934 1020.4496 1039.4413 1061.0289 1066.5215 1078.8315 1123.3552 1138.8542 1145.9917 1154.9985 1188.6457 1193.7895 1217.2468 1241.4287 1248.3615 1262.9981 1274.9675 1278.8447 1320.4585 1333.5897 1349.2412 1351.0196 1378.6969 1395.9719 1447.4631 1453.1310 1456.9519 1462.4791 1475.2329 1486.5499 1494.9951 1973.2993 2918.9115 3026.9780 3043.8036 3047.3533 3050.8738 3065.0278 3081.7843 3094.2005 3103.5462 3104.5643 3113.6509 3145.2723 3160.3541 3191.9096 3218.8230 3231.7445 9.4409 2.8904 2.9971 2.8789 2.7400 2.7983 2.4178 3.7044 1.7246 2.2754 2.7317 4.4110 2.2862 2.2706 4.0185 3.0030 1.9211 1.2840 1.2787 1.4880 2.8964 1.6080 2.4577 2.4858 1.4015 1.9415 1.3939 2.5989 1.4008 1.7559 1.4493 1.7236 1.6717 2.6922 1.2879 1.1791 1.5027 1.3092 1.4010 1.4339 1.3564 1.3292 1.2360 1.6219 1.4141 1.4938 1.5917 1.3933 1.4311 1.4694 1.5852 1.0816 1.0783 1.0852 1.0967 1.1098 1.1825 1.5563 10.8519 1.0739 1.0631 1.0612 1.0658 1.0660 1.0675 1.1006 1.1012 1.0639 1.1036 1.1056 1.0968 1.1007 1.0916 1.1021 1.1032 1.7598 0.0044 0.0108 0.0200 0.0396 0.0782 0.0752 0.1592 0.0887 0.1595 0.2610 0.5577 0.3140 0.3221 0.9045 0.7323 0.6938 0.4860 0.5008 0.5975 1.2062 0.7815 1.2245 1.2652 0.7252 1.0197 0.7643 1.5077 0.8594 1.1177 0.9613 1.1551 1.1463 2.0016 0.9842 0.9124 1.1811 1.0899 1.1764 1.2517 1.2316 1.2205 1.1617 1.5534 1.3626 1.5346 1.6678 1.4944 1.5390 1.6456 1.8201 1.3351 1.3416 1.3573 1.3820 1.4231 1.5396 2.0493 24.8967 5.3908 5.7392 5.7929 5.8312 5.8462 5.9086 6.1588 6.2116 6.0374 6.2669 6.3152 6.3928 6.4773 6.5528 6.7277 6.7886 264.0425 0.4961 1.3318 2.3795 7.2666 1.8136 4.4445 3.3594 0.4395 7.6207 0.7340 47.3113 0.5301 21.2649 27.5398 18.2539 133.9216 7.3586 28.2058 5.2503 2.5024 1.9592 30.9189 6.0762 4.4873 0.1535 5.6539 11.3045 0.6691 38.2440 1.7843 0.3817 1.5751 12.0473 1.7578 1.7420 0.4205 9.7581 1.7950 10.4191 15.8840 2.9784 5.2351 6.7829 1.1616 6.1638 3.7850 1.1238 5.9328 8.3644 8.4089 3.3436 6.3411 4.2805 4.1277 0.7520 5.3099 4.5431 327.3417 10.3714 42.6833 25.9585 76.7656 28.3714 61.4490 27.2080 37.7801 9.9416 37.2974 42.5482 3.3340 19.3439 1.8407 0.9581 5.3926 0.04 -0.06 -0.02 0.71 0.12 0.10 0.03 -0.01 0.02 0.05 -0.08 -0.02 -0.06 -0.00 -0.11 -0.05 -0.01 -0.10 -0.06 -0.01 -0.06 -0.24 0.02 0.01 -0.17 0.01 0.18 0.02 -0.03 -0.01 0.12 0.05 -0.02 0.01 -0.01 0.01 0.12 0.14 -0.28 -0.35 -0.03 -0.09 -0.00 0.04 0.01 -0.10 0.01 0.01 -0.02 0.00 0.00 0.01 0.01 -0.02 0.03 0.01 0.01 -0.06 -0.06 -0.02 -0.01 -0.01 -0.01 -0.01 0.02 0.01 -0.02 -0.01 0.02 -0.08 -0.05 -0.02 -0.05 -0.04 -0.02 -0.01 -0.02 -0.01 -0.01 0.01 -0.00 -0.00 0.04 0.11 -0.01 0.03 -0.05 0.04 -0.00 0.11 -0.07 0.12 0.14 -0.01 -0.14 -0.15 -0.00 -0.29 -0.06 -0.04 -0.15 -0.32 -0.01 0.14 -0.12 -0.01 -0.00 -0.07 0.02 0.00 0.16 0.11 -0.14 0.24 -0.01 0.13 0.26 -0.04 0.11 -0.18 0.00 0.02 -0.04 -0.00 -0.02 0.10 0.02 0.04 -0.15 -0.02 0.01 0.15 -0.04 0.03 0.16 0.04 -0.11 0.13 0.01 0.05 -0.13 0.02 -0.03 0.02 -0.08 0.12 0.16 -0.02 -0.04 0.26 0.04 -0.01 -0.23 -0.03 0.17 -0.14 0.07 -0.15 0.01 0.00 -0.02 0.06 -0.05 -0.02 -0.08 -0.02 -0.01 -0.07 -0.00 0.02 -0.18 -0.17 -0.07 -0.10 0.12 0.06 0.03 0.22 0.12 -0.04 0.15 0.06 0.06 -0.09 -0.05 -0.05 0.04 -0.01 0.13 0.02 -0.01 0.09 0.12 0.03 0.09 -0.06 -0.06 0.16 -0.01 -0.05 0.24 -0.01 0.03 -0.17 -0.00 0.03 -0.16 -0.02 0.02 -0.11 -0.07 -0.03 0.08 -0.09 -0.00 -0.29 0.16 0.12 -0.18 -0.03 -0.01 0.04 0.03 -0.04 0.18 -0.26 -0.06 0.08 -0.03 -0.05 0.17 0.04 -0.03 0.04 -0.16 0.02 0.06 0.22 -0.03 0.18 -0.02 -0.08 0.36 0.08 -0.06 -0.11 -0.04 -0.11 -0.04 0.23 -0.07 -0.25 -0.03 -0.17 -0.14 -0.07 -0.05 -0.02 0.02 -0.10 -0.02 -0.21 -0.08 -0.05 -0.07 -0.16 -0.01 -0.06 0.11 0.04 0.13 0.14 0.10 0.36 0.15 0.14 0.06 0.27 0.24 -0.19 0.20 0.05 0.00 -0.10 -0.00 0.08 -0.05 0.00 -0.06 -0.09 0.01 0.07 0.06 -0.02 0.14 -0.07 0.02 0.08 -0.07 0.01 -0.10 0.02 0.04 -0.03 0.10 0.01 0.10 0.03 -0.02 0.12 0.12 -0.05 -0.17 0.05 0.07 -0.12 0.00 0.05 -0.05 0.13 0.01 -0.04 0.16 0.00 -0.04 0.02 -0.14 0.02 0.04 -0.11 0.01 0.09 -0.28 -0.23 -0.08 -0.17 0.15 0.01 -0.06 0.20 0.02 -0.08 0.21 0.02 -0.10 0.07 0.03 -0.10 0.12 -0.02 -0.00 0.06 -0.03 0.08 0.23 -0.07 0.12 -0.06 -0.03 0.23 0.10 -0.03 0.03 -0.03 0.05 0.05 -0.10 -0.00 0.14 -0.04 0.05 0.08 -0.05 -0.02 -0.02 -0.10 0.09 0.29 -0.21 -0.15 0.17 -0.00 -0.04 0.07 -0.08 -0.02 -0.08 0.08 -0.01 -0.02 -0.10 -0.03 -0.09 0.03 -0.01 0.17 0.04 -0.17 0.07 -0.24 -0.00 -0.08 -0.03 -0.03 -0.22 -0.06 -0.09 -0.13 0.01 -0.07 0.07 -0.04 0.09 -0.34 -0.21 -0.33 -0.21 -0.12 -0.09 0.01 -0.20 -0.15 0.07 -0.17 -0.10 -0.02 0.07 -0.12 0.11 -0.08 -0.02 -0.02 -0.00 -0.00 0.04 0.20 -0.04 0.10 -0.09 0.10 0.20 -0.08 0.05 -0.11 0.01 0.12 0.09 -0.04 0.12 -0.03 0.09 0.11 0.04 -0.02 -0.02 -0.03 -0.08 0.07 -0.14 -0.06 0.25 -0.07 0.14 0.02 -0.01 0.09 -0.05 0.02 -0.03 -0.07 -0.04 -0.08 -0.06 -0.06 0.19 -0.01 -0.05 0.17 0.05 -0.02 0.15 -0.04 0.02 0.08 -0.12 0.06 0.08 -0.00 -0.00 0.01 -0.02 -0.00 0.10 -0.04 0.01 0.10 0.01 -0.00 0.04 -0.02 0.02 0.03 -0.01 0.02 0.04 -0.02 0.01 0.09 -0.02 0.01 0.09 0.01 -0.05 0.08 0.01 -0.01 0.08 -0.01 0.00 0.08 0.02 0.00 0.09 0.01 -0.05 -0.03 -0.02 0.09 -0.02 0.04 -0.11 -0.05 -0.04 0.19 -0.10 0.00 0.07 -0.06 -0.09 -0.34 0.09 0.29 -0.17 -0.04 0.04 -0.11 -0.07 -0.03 -0.03 -0.27 0.11 0.09 -0.06 -0.05 0.24 -0.19 -0.05 -0.40 0.16 0.34 -0.18 -0.08 -0.14 -0.04 -0.06 -0.02 -0.06 -0.18 0.06 -0.08 -0.02 0.11 -0.09 -0.22 0.13 -0.12 -0.31 0.05 -0.07 0.00 0.08 -0.10 0.06 0.09 -0.12 0.07 0.10 -0.11 -0.12 0.13 -0.12 -0.13 -0.02 0.08 -0.13 -0.02 0.04 -0.06 -0.01 0.05 -0.19 -0.05 0.11 -0.15 -0.04 0.13 0.03 -0.07 0.00 0.14 -0.04 -0.00 0.06 -0.14 0.20 0.11 0.02 0.08 0.17 -0.09 -0.06 0.22 -0.00 -0.01 0.06 -0.02 -0.04 0.08 -0.01 -0.05 0.04 0.13 0.09 0.14 -0.02 0.19 -0.12 -0.06 -0.22 0.24 0.17 -0.09 0.01 -0.08 -0.05 0.09 0.06 -0.11 -0.02 0.03 -0.01 0.01 0.04 -0.01 -0.02 0.05 -0.04 -0.05 0.01 -0.02 0.02 0.02 -0.01 -0.00 0.04 -0.01 0.06 0.03 -0.01 0.03 0.04 -0.01 0.03 -0.00 -0.02 -0.00 -0.01 0.01 0.02 -0.04 0.03 -0.02 -0.00 0.04 0.05 -0.01 -0.03 -0.02 -0.04 0.07 -0.04 -0.03 0.04 -0.03 -0.02 0.02 0.04 -0.06 -0.12 0.03 -0.02 0.12 -0.17 -0.07 0.05 -0.05 0.05 -0.08 0.05 0.00 0.12 0.20 -0.31 -0.15 -0.01 0.05 -0.38 -0.12 -0.04 -0.32 -0.04 0.34 -0.11 0.36 0.07 0.13 -0.03 -0.03 0.40 0.05 -0.05 0.02 -0.03 -0.08 -0.08 0.03 -0.17 0.16 0.19 0.09 0.07 0.05 -0.09 -0.07 0.28 -0.21 -0.07 -0.11 -0.13 -0.19 -0.13 -0.06 -0.11 -0.07 0.02 0.16 0.00 0.04 -0.08 -0.16 0.26 -0.20 0.10 -0.11 -0.26 -0.18 0.01 0.29 0.00 0.08 -0.08 -0.06 0.04 0.04 0.04 0.01 0.11 -0.03 0.00 -0.03 -0.11 0.15 0.20 -0.13 -0.14 0.08 0.05 0.05 0.00 0.02 0.00 0.02 0.01 -0.04 -0.03 -0.07 0.00 -0.08 -0.02 -0.00 -0.14 0.14 0.18 -0.03 0.06 0.02 0.02 0.01 -0.05 0.05 -0.01 0.03 -0.02 -0.02 0.03 -0.04 -0.03 0.03 -0.01 0.02 0.04 -0.02 0.07 -0.07 -0.06 0.25 -0.24 -0.02 0.01 -0.09 -0.27 0.01 0.09 -0.07 -0.01 0.02 0.13 -0.02 0.03 -0.05 -0.14 0.20 -0.14 0.02 -0.13 -0.17 -0.07 0.02 0.18 -0.03 -0.07 0.29 0.03 0.02 -0.00 -0.03 0.06 -0.15 0.03 -0.02 0.01 0.11 -0.21 -0.34 0.07 0.43 -0.10 -0.02 -0.02 -0.02 -0.01 -0.02 -0.01 0.05 -0.05 0.01 0.01 -0.01 -0.03 0.11 0.01 0.13 -0.14 -0.17 0.02 -0.03 -0.04 -0.01 -0.01 0.03 -0.03 0.02 0.03 -0.03 0.04 0.07 0.06 -0.04 0.15 -0.11 -0.04 -0.08 -0.07 0.02 0.00 -0.03 -0.02 -0.08 0.04 0.08 0.01 -0.10 0.08 0.09 0.05 -0.03 -0.05 0.03 0.04 -0.03 -0.02 0.05 -0.01 -0.02 0.02 -0.01 0.01 -0.06 -0.05 0.05 0.00 -0.13 0.08 -0.15 -0.16 -0.05 0.25 -0.18 -0.08 -0.21 0.12 -0.05 -0.02 -0.17 0.05 -0.26 -0.18 -0.05 0.09 0.16 0.07 -0.01 0.13 0.01 -0.39 0.28 -0.03 -0.07 0.11 0.20 -0.00 0.19 0.10 0.03 0.10 0.08 0.07 0.24 0.03 -0.01 -0.13 0.09 -0.05 0.07 -0.05 0.02 0.09 0.15 -0.11 0.26 -0.21 -0.10 -0.20 -0.15 0.02 -0.12 0.04 0.02 -0.43 0.21 -0.06 -0.15 -0.30 0.04 0.11 0.14 0.06 0.04 0.03 -0.04 0.04 -0.04 -0.10 0.13 -0.10 -0.05 -0.11 -0.10 0.14 0.09 -0.11 0.10 0.01 -0.10 0.04 -0.06 -0.03 -0.01 0.01 0.02 0.02 -0.07 0.02 -0.05 0.00 0.01 0.08 -0.14 -0.01 -0.04 0.04 0.02 -0.10 -0.01 0.03 0.06 -0.16 0.00 0.07 0.03 -0.08 -0.05 -0.01 -0.10 -0.02 0.16 0.00 -0.27 -0.04 0.02 -0.05 0.03 -0.15 -0.03 0.05 -0.03 -0.05 0.02 0.05 -0.02 0.08 -0.08 -0.03 -0.06 -0.07 0.01 -0.09 0.06 0.06 -0.23 0.12 -0.03 -0.10 -0.14 -0.04 0.02 0.05 0.10 0.04 -0.01 -0.02 0.03 -0.02 -0.08 0.08 -0.06 -0.03 -0.09 -0.07 0.16 0.07 -0.10 -0.10 -0.02 -0.03 -0.02 0.03 0.01 -0.06 -0.05 0.05 -0.01 0.11 -0.02 0.09 0.06 0.14 -0.07 -0.11 0.04 -0.01 -0.13 -0.05 0.16 0.02 -0.05 -0.14 0.33 0.01 -0.04 -0.06 0.23 -0.06 -0.03 0.14 -0.00 -0.29 -0.03 0.49 0.07 -0.04 0.05 -0.00 0.29 0.14 0.17 -0.07 -0.11 0.16 0.05 0.01 0.24 -0.05 0.16 0.14 -0.08 -0.09 -0.03 0.02 -0.24 -0.09 0.10 0.26 0.04 -0.11 -0.01 0.20 0.04 -0.15 -0.23 0.09 0.24 -0.10 -0.07 0.34 -0.11 -0.04 0.17 0.02 0.07 -0.31 -0.24 0.25 -0.01 0.03 -0.04 0.01 0.06 0.01 -0.04 0.01 0.01 0.03 -0.00 0.01 -0.02 0.08 0.02 0.03 0.03 0.02 -0.05 -0.05 -0.02 0.01 -0.02 -0.01 0.05 -0.01 0.01 -0.02 -0.03 -0.02 -0.03 -0.03 0.03 -0.05 -0.10 -0.02 0.06 -0.04 -0.01 -0.02 0.05 0.05 0.00 -0.04 0.01 0.08 0.01 0.01 -0.05 0.01 0.02 -0.01 -0.03 0.02 -0.01 0.04 -0.06 -0.02 0.04 -0.05 -0.04 0.03 -0.00 0.13 0.04 -0.01 -0.08 -0.01 0.03 -0.01 -0.00 0.00 0.01 0.00 0.01 0.00 0.05 0.01 -0.10 -0.01 0.06 0.27 0.02 0.07 0.02 -0.12 -0.06 -0.14 0.16 0.06 -0.04 -0.02 -0.06 0.00 0.02 0.17 -0.17 -0.27 -0.03 -0.06 -0.01 -0.04 -0.02 -0.01 -0.04 -0.34 0.27 -0.02 0.10 -0.10 0.33 0.05 0.05 0.15 -0.04 -0.21 -0.02 0.36 0.05 -0.03 -0.13 -0.06 0.32 -0.04 0.09 -0.09 0.02 -0.00 -0.11 -0.09 -0.17 0.26 0.20 0.48 0.05 -0.10 -0.07 0.10 -0.04 0.02 0.02 -0.14 -0.08 0.15 -0.27 -0.09 -0.10 0.06 0.00 0.06 0.01 -0.03 -0.01 0.22 0.00 0.01 -0.20 -0.19 0.19 0.20 0.09 -0.19 -0.02 -0.01 0.03 0.01 -0.07 -0.04 -0.03 0.06 -0.01 0.02 -0.02 -0.02 0.06 -0.05 0.05 -0.07 -0.14 -0.02 0.05 0.04 0.04 0.03 0.01 0.02 -0.12 0.05 -0.01 0.09 -0.04 0.13 0.07 -0.00 -0.06 0.04 0.16 0.03 -0.12 0.05 0.02 0.09 -0.04 -0.13 -0.02 0.03 -0.01 0.07 -0.00 -0.02 -0.10 0.04 0.06 -0.01 0.10 0.01 -0.05 0.00 0.03 0.08 -0.14 0.08 -0.37 -0.07 -0.04 0.24 0.02 -0.02 0.07 0.05 -0.06 -0.01 -0.04 -0.01 0.05 -0.14 0.05 -0.08 -0.02 0.08 -0.39 -0.20 0.70 0.00 -0.00 -0.01 0.00 0.01 0.00 0.01 -0.02 -0.00 -0.01 0.01 0.00 -0.02 0.02 0.00 0.01 0.01 0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.02 -0.01 -0.00 -0.01 0.01 -0.02 -0.02 -0.01 0.00 -0.01 -0.02 -0.01 0.02 -0.01 -0.00 -0.02 0.01 0.03 -0.04 -0.03 -0.04 -0.01 -0.01 0.06 -0.23 -0.16 0.31 0.37 0.18 0.02 0.06 0.02 -0.01 0.05 -0.12 0.08 0.10 0.03 -0.16 0.07 -0.08 0.11 -0.02 -0.00 0.00 -0.04 0.04 -0.06 0.42 -0.00 0.04 -0.26 0.18 0.29 0.08 -0.03 -0.07 0.02 0.00 -0.02 -0.00 0.00 0.03 0.02 -0.02 0.02 -0.02 0.00 0.03 -0.05 -0.04 -0.09 0.10 0.09 0.01 -0.01 0.01 -0.04 -0.03 0.01 -0.02 0.12 -0.08 0.01 -0.04 0.07 -0.12 0.01 0.08 0.13 -0.00 -0.18 -0.02 0.13 -0.05 -0.02 -0.07 -0.01 0.12 -0.01 -0.04 0.01 -0.02 -0.00 0.06 -0.09 -0.04 0.09 0.16 -0.04 -0.00 0.06 0.03 -0.03 0.06 -0.07 0.04 0.10 0.04 -0.15 0.13 -0.00 0.09 -0.02 -0.01 -0.02 -0.02 0.03 -0.03 0.18 -0.02 0.03 -0.08 0.17 0.11 -0.06 -0.08 0.10 -0.03 -0.00 0.04 0.01 0.05 -0.04 -0.03 0.01 -0.05 0.04 0.01 -0.05 0.13 0.14 0.22 -0.22 -0.16 0.00 -0.02 -0.06 0.08 0.04 -0.03 0.04 -0.23 0.17 -0.03 0.05 -0.14 0.23 -0.07 -0.22 -0.30 -0.03 0.36 0.03 -0.26 0.10 0.05 0.12 0.04 -0.23 0.00 -0.02 0.02 -0.01 0.01 0.03 -0.00 0.01 -0.01 0.01 -0.08 -0.01 0.02 0.02 -0.01 0.03 -0.04 0.02 0.01 0.01 -0.07 0.05 0.02 0.03 -0.00 0.00 -0.02 0.00 0.00 -0.01 0.02 -0.02 0.01 0.02 0.07 -0.00 -0.07 -0.06 0.11 -0.06 0.02 -0.02 -0.13 -0.07 -0.02 -0.05 0.01 0.02 0.10 -0.20 0.06 -0.35 -0.07 -0.18 -0.11 0.07 -0.05 -0.06 0.17 0.03 0.21 0.07 -0.08 -0.01 -0.06 0.08 0.03 -0.37 0.23 -0.19 0.31 0.26 -0.15 -0.02 0.07 0.03 0.01 -0.09 0.25 0.21 -0.25 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.02 0.02 -0.00 0.00 -0.02 -0.04 -0.02 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.05 0.04 -0.01 0.12 -0.01 0.01 -0.03 -0.03 -0.04 -0.07 -0.03 -0.19 -0.24 0.30 0.32 0.05 -0.02 0.02 0.12 -0.02 -0.04 -0.09 0.12 0.34 -0.03 -0.13 -0.22 0.10 -0.12 -0.09 -0.18 0.06 0.33 0.07 0.22 0.31 -0.05 -0.07 -0.29 0.18 -0.00 0.04 -0.05 0.03 -0.02 -0.03 0.01 -0.06 0.06 -0.02 0.23 0.02 -0.02 -0.00 0.00 -0.13 0.00 0.03 -0.02 -0.01 0.05 0.11 -0.13 0.05 0.00 0.01 0.03 -0.01 -0.02 0.04 -0.10 0.09 -0.02 -0.03 -0.23 -0.02 0.07 0.16 -0.20 0.06 0.01 0.03 0.03 0.18 0.00 0.17 -0.10 -0.02 0.05 -0.11 -0.03 -0.10 0.35 0.19 -0.23 0.02 0.04 -0.15 0.01 -0.02 -0.07 -0.02 -0.03 -0.20 0.10 0.00 0.01 -0.29 0.23 -0.20 0.07 0.08 -0.22 -0.09 0.01 0.09 0.02 -0.02 -0.16 0.17 0.16 -0.00 0.02 -0.01 0.05 -0.01 -0.02 -0.09 0.05 0.04 0.01 0.06 0.00 -0.02 -0.01 -0.01 -0.04 0.06 -0.04 -0.16 -0.04 0.15 0.05 0.05 -0.05 -0.02 0.00 0.05 -0.00 -0.01 0.00 0.04 0.02 -0.01 -0.05 -0.08 0.04 0.09 0.08 -0.15 0.20 -0.04 -0.01 -0.12 0.03 0.04 -0.01 -0.02 -0.03 -0.07 0.08 0.05 -0.29 -0.01 -0.16 0.01 0.25 -0.01 -0.07 -0.15 0.01 0.14 0.07 0.01 0.16 -0.12 0.02 -0.30 0.03 -0.24 -0.30 -0.19 -0.18 -0.12 0.15 -0.02 -0.18 0.07 0.00 0.21 0.17 -0.25 -0.03 0.04 0.06 0.01 -0.02 -0.00 -0.19 0.25 -0.03 0.02 -0.23 -0.04 0.03 -0.10 0.01 0.19 0.27 -0.25 -0.11 -0.13 0.48 -0.18 0.28 -0.22 -0.00 -0.03 -0.00 -0.00 0.06 -0.07 0.20 -0.03 -0.00 -0.06 0.26 0.09 0.03 -0.09 0.04 -0.01 0.02 0.01 -0.02 0.00 0.00 0.05 -0.00 -0.00 0.05 -0.03 -0.00 -0.09 0.01 -0.03 -0.06 0.04 -0.01 -0.01 -0.02 -0.01 -0.05 0.02 -0.00 -0.01 0.08 0.01 0.11 -0.03 0.10 0.00 -0.04 -0.04 0.02 -0.00 -0.01 0.05 0.07 0.01 -0.10 0.11 0.11 0.01 -0.02 -0.02 -0.01 0.01 -0.00 0.06 -0.11 0.02 -0.01 0.09 0.03 -0.01 0.04 -0.00 -0.08 -0.11 0.10 0.03 0.05 -0.19 0.06 -0.12 0.09 0.00 0.01 -0.00 0.01 -0.02 0.03 -0.07 0.02 -0.01 0.05 -0.10 -0.05 -0.02 0.04 -0.02 -0.03 0.05 -0.01 -0.12 -0.09 -0.01 0.05 0.03 -0.00 0.13 -0.02 0.02 -0.30 -0.12 -0.21 -0.11 0.13 -0.06 0.04 -0.13 -0.01 -0.09 0.10 0.02 0.09 0.18 0.05 0.34 0.09 0.18 0.12 -0.23 -0.20 0.19 0.03 -0.06 0.06 0.23 0.04 -0.18 0.35 0.20 -0.10 -0.00 -0.02 0.04 -0.01 0.01 -0.14 -0.08 0.11 -0.05 0.20 0.06 0.02 -0.09 -0.00 -0.34 0.15 -0.03 0.46 0.01 0.24 0.29 -0.07 0.07 0.01 -0.04 -0.05 0.04 0.09 0.04 -0.04 0.40 -0.11 0.11 -0.07 -0.12 -0.37 0.12 0.13 -0.01 0.01 -0.01 -0.00 -0.02 -0.00 -0.01 0.01 -0.00 -0.01 0.01 0.00 0.02 -0.04 -0.02 0.04 -0.02 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.02 -0.01 0.00 -0.01 0.02 -0.02 -0.01 -0.01 -0.01 0.00 0.01 0.00 -0.01 0.00 -0.00 0.02 -0.01 -0.02 -0.17 -0.18 0.07 -0.03 0.09 -0.03 -0.44 -0.03 0.17 -0.25 -0.05 0.14 -0.06 0.07 0.02 0.01 -0.09 0.09 -0.25 0.03 -0.19 -0.15 0.26 -0.15 0.06 0.05 0.01 0.21 -0.05 -0.05 0.29 0.18 -0.14 0.34 -0.01 -0.17 0.11 0.10 -0.10 0.01 -0.00 0.01 0.01 0.02 0.00 0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.03 0.02 0.02 0.02 -0.01 0.01 -0.02 0.01 0.00 -0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.02 -0.02 0.00 -0.03 0.01 0.01 -0.03 0.00 0.01 0.01 -0.01 -0.00 -0.01 -0.02 0.01 -0.06 0.05 0.02 0.04 -0.05 -0.06 0.10 -0.03 -0.06 -0.40 0.28 0.11 0.02 0.01 0.07 0.12 -0.20 0.16 -0.11 -0.03 -0.08 0.22 -0.23 0.07 -0.04 -0.08 0.01 0.01 0.08 -0.03 -0.05 -0.09 0.02 0.23 0.52 -0.11 0.26 -0.27 -0.07 0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.01 0.00 -0.02 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.03 -0.00 -0.00 -0.02 0.02 0.00 0.01 0.01 -0.01 -0.03 0.11 0.02 -0.03 -0.11 0.06 -0.19 0.19 0.07 -0.13 0.07 0.01 0.06 0.03 -0.07 0.14 0.09 -0.13 -0.37 -0.06 0.19 0.55 -0.16 0.18 -0.05 0.05 0.03 0.08 -0.08 -0.03 0.06 -0.08 -0.03 0.00 -0.23 0.01 -0.02 0.27 -0.25 -0.05 0.02 -0.00 -0.01 -0.03 -0.02 -0.02 0.00 -0.00 0.02 0.02 0.01 0.01 -0.02 0.00 0.05 -0.08 -0.01 0.00 0.02 0.02 0.00 -0.03 -0.01 0.07 0.03 0.01 0.07 0.08 -0.01 0.01 0.01 -0.00 0.03 0.02 0.01 0.03 -0.06 -0.01 0.01 -0.10 0.01 0.05 -0.08 -0.02 -0.02 0.09 -0.07 0.10 -0.10 -0.03 0.12 -0.06 -0.01 -0.04 -0.02 0.04 -0.01 0.01 0.01 -0.15 -0.04 0.10 0.74 0.39 -0.15 -0.00 -0.03 0.05 -0.06 0.03 0.03 0.03 0.15 -0.01 -0.07 -0.00 0.02 0.22 -0.09 -0.10 -0.03 0.00 -0.00 -0.02 -0.00 -0.03 -0.00 -0.01 -0.01 0.03 0.02 0.02 -0.08 0.05 0.01 0.07 -0.11 -0.01 -0.01 0.01 0.03 -0.01 -0.03 -0.02 0.11 0.04 0.02 0.07 0.08 -0.02 -0.05 0.01 -0.01 0.03 0.04 0.02 0.07 -0.04 -0.02 -0.01 -0.12 0.03 -0.02 0.01 -0.01 0.02 -0.01 0.01 0.02 -0.02 -0.01 -0.04 0.05 0.01 0.00 0.00 0.00 -0.01 -0.02 0.02 0.08 0.02 -0.05 -0.35 -0.11 0.02 0.01 -0.01 -0.02 0.01 0.01 -0.00 -0.03 -0.03 0.01 0.04 0.06 -0.02 -0.03 -0.04 0.06 0.02 -0.03 0.05 -0.06 0.02 -0.09 -0.01 -0.00 -0.05 0.07 0.07 0.09 -0.27 0.23 0.08 -0.10 -0.17 -0.05 -0.03 0.03 0.10 -0.01 -0.08 -0.09 0.29 0.01 0.07 0.18 0.28 -0.11 -0.27 0.01 -0.05 0.22 0.12 0.04 0.25 -0.27 -0.10 -0.05 -0.28 0.13 -0.00 0.00 0.00 -0.01 -0.00 0.01 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.07 0.02 -0.03 0.02 0.00 -0.01 0.07 0.01 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.02 -0.00 -0.01 0.02 -0.01 -0.02 -0.03 0.04 0.06 0.02 -0.05 -0.03 0.02 -0.05 -0.08 -0.09 0.07 0.03 0.16 0.15 0.23 -0.32 0.03 0.05 -0.03 0.05 -0.01 0.12 -0.07 -0.02 -0.29 0.04 -0.33 -0.21 -0.13 -0.09 -0.07 -0.11 0.44 0.05 -0.03 0.18 0.16 -0.06 -0.12 0.37 0.16 0.03 -0.01 0.01 -0.01 -0.01 -0.02 -0.03 0.04 -0.01 0.01 -0.04 0.00 -0.04 -0.01 0.03 0.18 0.03 -0.06 0.22 0.05 -0.11 -0.02 -0.03 -0.01 -0.00 0.02 0.00 -0.00 -0.01 -0.01 -0.04 -0.14 0.04 -0.02 -0.00 0.02 -0.04 0.06 -0.00 -0.07 0.18 0.04 0.04 -0.14 -0.04 0.20 0.11 0.03 -0.05 0.02 0.02 0.38 -0.28 0.00 0.22 -0.22 -0.02 -0.15 -0.08 0.01 0.05 -0.02 -0.04 0.02 -0.12 -0.00 -0.00 0.10 -0.07 -0.51 0.00 0.00 -0.25 0.08 0.01 0.03 -0.14 -0.05 0.02 0.07 -0.01 0.01 -0.02 0.01 0.02 -0.01 -0.01 -0.02 0.03 -0.01 -0.16 0.06 0.05 -0.07 -0.04 0.09 0.56 0.09 -0.16 0.52 0.09 -0.19 0.18 0.05 -0.02 -0.03 0.06 -0.01 0.00 -0.03 -0.04 0.00 -0.22 0.04 -0.04 0.01 0.03 -0.17 0.24 -0.09 0.02 -0.03 -0.00 -0.01 0.03 -0.00 -0.02 -0.02 0.00 0.01 -0.00 0.00 -0.17 0.10 -0.01 0.04 -0.02 0.01 0.02 0.01 -0.02 -0.01 0.00 0.01 0.08 0.08 0.01 0.01 -0.01 0.01 0.11 -0.00 0.01 -0.09 0.00 0.01 -0.03 0.11 0.02 0.01 -0.09 -0.01 0.01 -0.00 0.03 0.01 -0.00 -0.03 0.02 0.04 -0.03 -0.09 -0.02 0.02 -0.01 -0.01 0.03 -0.01 -0.03 0.05 0.12 0.02 -0.02 0.12 0.03 -0.04 -0.01 0.02 0.01 -0.01 -0.01 -0.03 0.07 -0.05 -0.00 -0.07 -0.00 0.05 -0.07 0.12 -0.05 0.02 -0.01 -0.05 -0.00 0.01 0.06 -0.02 -0.00 -0.03 0.01 0.01 -0.01 0.27 -0.18 -0.04 -0.38 0.30 -0.01 0.00 0.01 0.05 -0.00 0.00 -0.00 -0.29 -0.19 -0.03 0.09 0.06 0.03 -0.24 0.05 0.00 0.44 -0.06 -0.03 0.08 -0.37 -0.04 -0.03 0.14 0.02 -0.03 -0.01 -0.10 -0.01 0.02 0.10 -0.09 -0.14 0.10 0.24 0.20 -0.04 -0.04 -0.00 -0.02 0.60 0.16 -0.30 -0.16 -0.03 0.01 -0.03 0.08 0.07 -0.02 -0.04 -0.06 0.03 0.02 0.11 -0.24 0.11 0.02 0.24 -0.00 -0.16 0.14 -0.23 0.01 0.01 0.00 -0.02 0.00 -0.00 0.02 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.08 -0.07 -0.02 -0.10 0.10 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.10 -0.05 -0.02 0.02 0.01 0.01 -0.07 0.01 0.00 0.12 -0.02 -0.01 0.01 -0.12 -0.01 -0.00 0.05 -0.00 0.01 -0.01 -0.02 0.01 0.01 -0.00 -0.02 -0.02 0.01 -0.00 0.05 0.00 0.01 -0.01 0.02 0.00 -0.02 0.03 -0.01 -0.02 0.05 -0.02 0.04 -0.03 -0.01 0.01 0.00 -0.00 -0.01 0.00 -0.06 -0.10 0.03 0.04 0.07 -0.02 -0.04 0.06 -0.03 0.02 -0.01 -0.02 -0.07 -0.01 -0.04 0.01 -0.01 0.02 0.05 0.06 0.03 0.38 -0.18 0.03 -0.10 -0.01 -0.04 -0.03 0.05 0.04 -0.01 -0.07 -0.03 0.20 0.11 0.04 -0.38 -0.27 -0.08 0.47 -0.11 -0.05 -0.11 0.09 0.05 0.06 -0.11 -0.03 -0.11 0.41 0.11 0.02 0.05 0.07 0.02 -0.08 -0.02 -0.10 0.26 -0.03 -0.09 -0.15 0.01 -0.10 0.04 -0.03 0.12 0.06 -0.11 0.15 0.10 -0.29 0.05 -0.14 0.01 0.03 -0.05 -0.01 -0.00 0.04 0.02 0.23 0.49 -0.13 -0.19 -0.32 0.10 0.29 -0.33 0.08 0.01 -0.00 -0.01 -0.02 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.01 0.01 0.07 -0.03 0.00 -0.04 0.01 -0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.01 0.04 0.02 0.01 -0.07 -0.05 -0.01 0.09 -0.02 -0.01 -0.02 0.02 0.01 0.01 -0.02 -0.01 -0.02 0.07 0.02 -0.06 -0.01 0.03 -0.03 0.07 0.08 0.58 -0.44 -0.15 -0.25 0.12 0.10 -0.04 -0.04 -0.08 -0.02 0.22 -0.25 -0.00 -0.03 0.07 0.04 -0.10 0.20 0.05 0.03 0.04 0.02 0.01 -0.08 0.17 -0.11 -0.01 -0.15 -0.10 0.09 0.14 -0.14 0.16 0.01 0.00 -0.01 -0.01 -0.00 0.00 0.01 0.00 0.00 0.00 0.01 -0.00 0.03 -0.02 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.02 -0.00 -0.03 -0.02 -0.00 -0.01 0.00 0.00 -0.02 -0.00 0.00 -0.00 -0.02 -0.00 -0.01 0.03 0.00 -0.03 0.03 0.04 0.01 0.03 -0.01 0.39 -0.19 -0.14 0.01 -0.07 0.00 0.06 0.03 0.07 0.33 -0.13 0.10 -0.23 -0.04 0.06 -0.11 0.01 -0.02 -0.04 -0.07 -0.08 -0.03 -0.04 0.00 0.28 0.46 -0.16 -0.07 -0.09 0.04 -0.34 0.23 -0.18 0.00 0.01 0.01 0.02 -0.01 -0.00 0.01 0.01 0.01 -0.01 0.00 0.01 -0.04 0.01 -0.00 -0.04 0.01 -0.01 -0.01 -0.01 0.00 0.01 -0.00 -0.01 -0.02 -0.04 -0.00 0.01 0.04 -0.02 0.06 -0.03 -0.02 -0.10 0.04 0.02 0.02 -0.00 -0.01 -0.01 0.05 0.01 0.00 0.00 0.00 0.01 -0.00 -0.00 0.02 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.01 0.02 -0.02 0.02 0.01 0.00 -0.01 -0.04 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.01 0.02 -0.01 -0.02 -0.01 0.01 -0.03 0.02 -0.01 -0.00 -0.00 0.03 -0.02 -0.02 0.02 0.01 0.00 -0.02 0.01 0.04 -0.11 -0.32 0.08 -0.05 0.53 -0.15 0.05 -0.05 0.03 0.00 0.02 -0.05 0.08 -0.03 0.24 -0.09 -0.08 -0.12 0.05 -0.03 0.04 0.03 0.42 -0.17 -0.06 -0.11 -0.35 0.05 0.02 0.32 -0.06 0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.05 0.03 0.02 -0.05 0.03 0.01 -0.00 -0.01 -0.01 -0.04 0.02 -0.01 0.04 0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 0.01 0.00 0.01 -0.00 -0.02 -0.05 0.02 -0.01 -0.00 0.00 0.05 -0.03 0.02 -0.02 0.00 0.00 0.06 -0.02 0.04 0.01 -0.01 0.01 -0.05 0.01 -0.02 -0.35 0.12 -0.05 0.04 0.04 0.03 -0.04 0.00 0.05 0.04 0.00 -0.07 -0.32 -0.24 -0.05 0.22 0.27 -0.03 0.47 -0.18 -0.10 -0.25 0.19 0.07 0.16 -0.25 -0.10 -0.02 0.25 0.00 -0.14 0.04 0.05 0.03 -0.02 -0.06 0.16 -0.14 -0.07 0.54 -0.40 -0.15 -0.02 0.03 0.02 0.05 -0.06 0.06 -0.01 0.03 -0.08 0.12 -0.05 -0.03 -0.01 -0.06 0.01 0.10 0.11 -0.01 -0.32 -0.38 0.12 -0.12 -0.30 0.09 -0.04 0.01 -0.06 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 0.01 -0.00 -0.02 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 -0.00 -0.01 -0.00 -0.00 0.03 -0.01 -0.00 -0.03 0.02 0.01 0.02 -0.03 -0.01 -0.01 0.02 0.01 -0.05 0.06 0.03 -0.00 0.04 -0.05 0.03 0.01 -0.00 0.40 -0.33 -0.14 -0.05 -0.02 -0.02 -0.02 0.12 -0.12 0.07 0.01 -0.06 0.12 -0.37 0.22 0.06 0.02 0.05 -0.05 -0.11 0.02 0.17 0.13 -0.04 0.33 0.48 -0.19 0.01 0.11 0.02 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 -0.00 0.01 0.01 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.03 -0.01 -0.00 -0.01 0.02 0.01 0.02 -0.04 -0.01 -0.01 0.02 0.00 -0.00 0.01 -0.00 0.01 -0.01 0.01 0.01 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 0.00 0.00 -0.02 -0.01 0.06 -0.04 -0.00 0.00 -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 0.03 -0.03 -0.00 -0.09 0.06 0.02 -0.04 -0.00 0.00 0.01 -0.02 -0.03 0.20 -0.07 0.03 0.40 -0.10 0.05 0.15 -0.02 0.01 -0.04 -0.02 -0.02 -0.14 0.01 -0.03 0.17 0.10 0.02 -0.40 0.13 0.05 -0.51 0.19 0.12 0.10 -0.22 -0.04 -0.11 0.31 0.07 -0.07 0.09 -0.03 0.02 -0.15 0.06 0.26 -0.26 -0.01 0.10 -0.01 -0.08 -0.00 0.02 0.00 -0.18 -0.04 0.09 0.22 0.08 -0.13 0.04 0.61 -0.42 -0.02 0.07 0.01 0.00 -0.08 0.01 0.11 0.08 -0.04 0.17 0.14 -0.09 0.14 -0.10 0.07 -0.00 0.01 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.03 0.00 -0.02 -0.05 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.01 0.00 0.03 0.02 0.00 0.00 0.02 -0.00 0.02 -0.01 -0.00 0.04 -0.02 -0.01 -0.02 0.04 0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.01 0.00 -0.01 0.02 -0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 -0.02 -0.00 -0.00 -0.01 -0.02 0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.01 0.03 -0.01 -0.00 -0.07 0.06 0.00 -0.00 -0.02 -0.01 -0.07 -0.07 0.02 0.35 -0.08 0.09 0.22 -0.02 0.03 -0.07 0.03 -0.00 0.06 -0.07 -0.02 0.06 0.01 0.03 0.47 0.42 0.04 0.17 -0.02 -0.00 0.29 -0.09 -0.05 -0.06 0.45 0.04 0.04 0.20 -0.04 0.00 -0.01 0.00 -0.01 0.01 -0.01 -0.04 0.02 0.02 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.02 -0.00 0.02 0.03 -0.04 0.03 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 -0.02 0.01 0.00 -0.01 -0.00 0.03 -0.02 0.01 -0.02 0.00 -0.01 0.11 -0.04 -0.01 -0.02 0.01 -0.00 -0.09 -0.01 -0.00 -0.22 0.11 -0.02 -0.42 0.13 -0.05 0.06 0.01 -0.00 0.03 -0.10 0.02 0.36 0.32 0.03 0.02 0.14 -0.07 -0.27 0.13 0.08 -0.06 0.03 0.02 -0.10 0.11 0.04 -0.07 0.54 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 -0.01 0.00 0.02 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.03 0.02 -0.00 0.01 -0.00 0.09 0.11 0.02 -0.20 0.03 -0.03 0.07 0.02 0.01 0.02 0.03 -0.01 -0.00 -0.13 -0.03 -0.48 -0.43 -0.04 -0.17 -0.08 -0.06 -0.19 0.09 0.02 0.02 -0.09 -0.00 -0.11 0.59 0.05 -0.08 0.13 0.10 -0.01 0.01 0.01 -0.00 0.06 -0.05 -0.01 -0.07 0.11 0.01 -0.18 -0.06 0.03 -0.04 0.01 0.12 -0.38 0.19 0.27 0.00 0.49 -0.01 -0.19 0.10 -0.13 0.14 -0.07 0.03 -0.04 0.02 0.12 0.03 0.00 0.05 -0.23 -0.07 0.32 -0.38 0.13 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.00 0.01 0.03 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.01 -0.00 0.01 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.02 0.01 0.00 0.00 -0.00 0.02 -0.01 0.01 -0.01 -0.06 -0.13 -0.04 -0.13 0.04 -0.02 -0.06 -0.04 0.01 -0.00 -0.01 -0.16 0.14 0.03 -0.04 0.06 -0.19 0.13 0.21 0.58 0.18 0.58 -0.12 -0.20 -0.02 -0.01 -0.05 -0.04 0.18 0.04 0.05 -0.03 0.00 0.01 -0.00 -0.09 -0.39 0.56 -0.37 -0.44 -0.18 -0.00 -0.00 0.01 -0.00 0.05 -0.02 -0.04 -0.01 -0.06 0.00 -0.00 0.01 0.01 -0.01 0.00 0.02 -0.01 -0.01 -0.24 0.10 -0.09 -0.10 0.14 0.20 -0.03 0.02 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.02 0.01 0.03 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 0.03 0.01 0.03 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.03 0.02 0.02 0.01 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.00 -0.00 -0.02 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.02 -0.06 -0.03 -0.00 -0.00 -0.00 -0.02 0.03 -0.02 0.04 0.26 0.51 0.20 0.52 -0.14 -0.00 -0.02 -0.01 -0.01 0.00 -0.00 0.21 -0.25 -0.05 0.05 -0.11 0.30 0.04 0.08 0.22 0.05 0.23 -0.04 -0.01 -0.02 -0.01 -0.02 0.00 0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.03 -0.01 0.00 0.00 -0.00 0.03 -0.02 0.03 0.01 0.08 0.16 0.04 0.16 -0.05 -0.01 -0.01 -0.01 -0.06 -0.02 0.04 -0.24 0.27 0.06 -0.10 0.08 -0.35 0.00 0.03 0.09 0.04 0.08 -0.02 0.55 0.12 0.05 0.14 0.07 -0.54 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.03 0.01 0.01 0.01 0.03 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 0.01 0.01 -0.01 -0.02 -0.01 0.01 -0.00 0.01 -0.00 0.00 0.01 0.04 0.02 0.00 -0.00 -0.00 -0.03 0.05 -0.03 -0.04 -0.14 -0.30 -0.12 -0.29 0.08 -0.00 -0.02 -0.01 -0.04 -0.02 0.02 0.29 -0.35 -0.07 0.06 -0.13 0.43 0.02 0.07 0.18 0.05 0.18 -0.04 0.36 0.09 0.03 0.07 0.08 -0.35 -0.02 -0.03 0.02 0.00 0.01 -0.01 0.04 0.14 -0.23 0.17 0.16 0.07 0.01 -0.02 0.01 -0.03 0.04 -0.01 0.02 -0.02 -0.02 0.01 -0.03 0.02 -0.02 0.05 -0.01 0.07 -0.08 -0.02 -0.51 0.29 -0.26 -0.24 0.31 0.51 0.08 -0.06 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 -0.01 -0.02 -0.01 -0.02 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.02 0.00 0.00 0.01 0.00 0.01 -0.00 0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 0.03 -0.03 -0.00 0.01 0.01 0.02 -0.04 -0.01 0.10 -0.08 0.12 -0.26 0.59 -0.16 -0.21 -0.16 -0.58 -0.00 -0.07 0.02 -0.10 0.06 -0.05 0.01 -0.01 0.01 0.11 -0.02 0.04 0.04 -0.17 -0.09 0.09 -0.18 0.04 0.01 -0.01 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.05 -0.02 -0.05 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.08 0.01 -0.02 0.05 -0.08 -0.00 -0.00 -0.02 -0.01 -0.02 -0.01 0.01 0.02 0.06 -0.02 0.01 -0.01 -0.03 -0.14 -0.02 -0.02 -0.00 0.00 0.02 -0.01 -0.00 -0.00 0.02 -0.01 0.01 -0.01 -0.01 -0.01 0.05 0.01 -0.04 0.10 0.64 0.18 0.03 -0.08 -0.02 -0.28 -0.56 -0.16 0.00 0.01 0.00 0.10 -0.12 -0.04 0.06 -0.12 0.01 0.07 0.01 -0.00 0.00 -0.00 0.00 -0.02 -0.00 0.00 -0.04 -0.02 -0.03 0.10 0.02 0.06 0.04 0.06 -0.02 -0.01 0.00 0.00 -0.00 -0.01 0.01 -0.05 -0.05 -0.03 -0.00 -0.00 0.00 0.56 0.59 0.55 -0.01 0.06 -0.17 0.00 0.00 0.00 -0.00 -0.01 -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 -0.01 -0.02 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.05 -0.05 0.00 0.00 0.00 -0.00 0.01 0.00 0.19 0.40 -0.26 -0.01 0.17 0.84 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.05 -0.06 -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 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.04 -0.03 0.04 0.01 -0.03 -0.00 -0.00 0.03 0.06 -0.06 -0.04 0.09 0.38 -0.19 0.10 0.04 0.53 0.01 -0.06 0.52 -0.45 -0.06 -0.16 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.02 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.03 -0.04 -0.03 -0.01 0.04 0.00 -0.00 -0.01 -0.06 0.06 0.04 0.06 0.28 -0.14 0.12 0.06 0.62 -0.00 0.06 -0.58 0.33 0.04 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 -0.01 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 0.00 -0.00 -0.03 0.04 -0.05 0.05 0.11 -0.06 -0.00 -0.03 -0.13 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.09 0.81 0.32 -0.35 -0.21 -0.01 -0.02 0.01 -0.00 0.00 -0.00 0.00 0.02 -0.15 -0.04 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.04 -0.04 -0.05 -0.14 0.35 0.85 -0.27 0.09 -0.24 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 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.00 0.03 0.00 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.02 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 -0.05 0.07 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.32 0.67 -0.40 0.00 -0.11 -0.46 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.08 -0.14 0.15 0.08 0.01 0.02 -0.01 -0.00 -0.00 -0.02 -0.00 -0.00 0.05 0.03 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 -0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -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 0.01 -0.00 -0.01 -0.03 0.02 0.00 0.00 0.01 -0.01 -0.05 0.06 -0.03 -0.00 -0.03 -0.00 -0.00 0.05 0.04 -0.05 -0.03 0.16 0.68 -0.32 -0.08 -0.05 -0.42 -0.00 -0.02 0.18 0.39 0.05 0.13 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 -0.00 0.01 -0.01 -0.03 0.00 -0.07 0.21 0.44 0.74 0.10 -0.44 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 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 -0.00 0.00 0.00 -0.01 -0.02 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 0.01 -0.01 -0.00 0.00 0.02 -0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.02 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 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 0.02 0.01 0.01 -0.01 0.00 -0.01 -0.04 0.00 0.02 -0.04 -0.05 -0.00 -0.06 -0.00 0.01 -0.12 0.23 -0.25 -0.14 -0.06 -0.28 0.13 0.06 0.03 0.29 -0.01 -0.05 0.48 0.61 0.08 0.20 0.00 -0.00 0.00 -0.00 -0.00 -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 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.04 -0.04 -0.07 -0.03 -0.07 0.04 0.00 0.03 0.12 0.00 0.01 -0.01 -0.02 0.00 -0.03 0.01 -0.07 0.54 -0.46 0.49 0.27 -0.02 -0.09 0.04 0.02 0.01 0.09 -0.00 -0.03 0.29 0.20 0.03 0.07 -0.01 0.02 -0.08 -0.00 0.00 0.01 0.08 0.09 0.07 0.04 -0.30 0.83 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.01 -0.05 -0.08 -0.00 -0.00 -0.00 0.02 -0.00 0.03 0.03 -0.06 -0.14 -0.30 0.11 -0.25 0.01 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.04 -0.00 0.00 0.01 0.05 0.05 0.04 0.02 -0.14 0.40 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.04 -0.07 0.00 0.00 0.00 -0.05 0.01 -0.07 -0.06 0.12 0.29 0.63 -0.21 0.50 -0.04 -0.05 -0.04 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -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 -0.07 0.02 0.02 0.01 0.01 -0.04 0.10 -0.00 0.01 0.00 -0.01 -0.02 -0.03 0.03 -0.11 -0.00 -0.11 0.52 0.82 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.02 -0.01 0.01 -0.05 -0.06 -0.05 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -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 -0.07 -0.02 0.07 0.15 0.26 -0.13 0.62 -0.01 -0.00 0.01 0.02 0.03 0.04 0.03 0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.04 0.02 -0.03 -0.36 -0.46 -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 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -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 0.01 0.00 0.00 -0.01 0.02 0.01 -0.06 -0.02 0.07 0.14 0.25 -0.13 0.60 -0.01 -0.02 0.07 0.12 -0.03 -0.04 -0.03 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.04 -0.02 0.03 0.37 0.47 0.38 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 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 6 1 1 6 1 1 1 6 6 1 1 1 6 6 6 6 1 1 6 6 1 1 1 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 6 6 1 1 6 1 1 1 6 6 1 1 1 6 6 6 6 1 1 6 6 1 1 1 1 1 1 12.00000 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 12.00000 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 148.12520 681.40229 2889.96641 3315.04865 0.99999 -0.00486 0.00185 0.00485 0.99997 0.00516 -0.00188 -0.00515 0.99998 asymmetric 1 0.12711 0.02997 0.02613 2.64857 0.62449 0.54441 629403.7 72.98 112.28 156.16 225.32 313.36 330.52 388.59 425.10 496.27 579.37 666.48 694.71 706.03 889.28 925.65 1126.46 1153.21 1173.08 1187.78 1209.60 1306.77 1323.08 1337.24 1348.39 1358.41 1388.02 1427.69 1468.20 1495.52 1526.58 1534.49 1552.20 1616.26 1638.56 1648.83 1661.79 1710.20 1717.60 1751.35 1786.14 1796.11 1817.17 1834.39 1839.97 1899.85 1918.74 1941.26 1943.82 1983.64 2008.49 2082.58 2090.73 2096.23 2104.18 2122.53 2138.81 2150.96 2839.14 4199.66 4355.15 4379.35 4384.46 4389.53 4409.89 4434.00 4451.86 4465.31 4466.78 4479.85 4525.35 4547.04 4592.45 4631.17 4649.76 0.239727 0.250280 0.251224 0.203398 -427.908372 -427.897819 -427.896875 -427.944702 157.053 41.310 100.660 0.000 0.000 0.000 0.889 2.981 40.889 0.889 2.981 30.258 155.276 35.348 29.513 1 0.595 1.977 4.789 2 0.599 1.964 3.940 3 0.606 1.942 3.295 4 0.620 1.895 2.590 5 0.646 1.814 1.977 6 0.652 1.796 1.881 7 0.674 1.728 1.596 8 0.690 1.682 1.443 9 0.723 1.586 1.189 10 0.768 1.464 0.953 11 0.821 1.332 0.757 12 0.839 1.288 0.702 13 0.847 1.271 0.682 14 0.978 0.994 0.420 0.277765e-93 -93.556322 -215.421392 0.513379e+17 16.710438 38.477205 0.792139e+03 2.898802 6.674738 0.100000e+01 0.000000 0.000000 0.708594e+08 7.850397 18.076208 0.914616e+06 5.961239 13.726259 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -1.9532 -2.1555 -0.5266 2.9561 -62.6587 -68.6701 -67.8982 0.9452 1.5312 0.0691 3.7503 -2.2611 -1.4892 0.9452 1.5312 0.0691 -14.5665 -10.0285 -0.8041 -3.7147 -0.2889 -4.9300 -2.0773 -1.0744 -1.5794 -0.2719 -2236.8867 -543.7026 -189.8190 3.7382 31.6304 10.4607 -4.6095 2.2834 0.6427 -457.4344 -407.2542 -121.9430 8.0294 1.7383 -3.2674 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -428.1480995 0. 0. 0. 4.376E-9 9.925E-7 0.2397272 0.2502802 -427.8978193 -427.8968751 -427.9447019 C01 [X(C11H16)] 0.7684651 -0.8480112 0.2071979 0.1779908 -0.1211202 0.0212529 -0.221665 0.1187292 0.050185 0.1814413 -0.0213266 0.0476584 -1.3927724 0.2122802 0.0308328 0.4177662 -0.2070945 -0.0518812 0.3317891 -0.1537618 -0.0502621 0.0433351 0.1139341 0.019176 -0.0771617 0.0180291 -0.0004086 -0.0242659 0.0373073 0.0043475 0.0417328 -0.0133708 0.0072143 -0.0209829 0.0250635 -0.0519013 -0.0131667 -0.0731959 -0.0720015 0.6648406 -0.2081354 -0.0782443 -0.3066004 0.0585773 -0.0104292 -0.2812155 0.1282766 0.1185823 0.0437281 0.0020931 -0.0410824 0.0734085 0.0051253 0.0730448 0.090075 -0.030268 -0.0434514 0.0856286 -0.0517587 -0.0178664 -0.033842 -0.0469003 -0.0272589 0.0082649 -0.0085684 0.0575584 0.1976972 -0.0202271 0.0037246 -0.0107662 -0.0436882 0.0195804 0.0776727 0.0046105 -0.0240493 -0.6499352 0.2520253 0.1202044 0.2898805 0.0935544 0.0169011 -0.5013784 0.1052089 0.0205678 0.2194947 0.0479356 -0.0036221 0.1994409 0.0140994 -0.0523792 -0.0778163 -0.0694729 0.1620657 0.0048815 -0.0062267 0.0091136 -0.144507 0.0263859 0.0454609 0.119224 0.0920285 -0.1034986 -0.0816868 -0.0535779 -0.0508869 -0.0647092 0.0490527 -0.0137471 -0.1116715 -0.0316641 0.0085181 -0.1004133 0.037158 -0.0320107 0.0139234 -0.0052743 0.0368143 0.1189878 0.0061994 0.0670121 0.9751691 0.041172 -0.0297693 -1.1694123 0.3604616 -0.0204674 0.3108695 -0.0801709 -0.1510643 -0.037517 -0.0174368 -0.0260879 0.1823711 0.2727289 -0.0256452 -0.0224378 -0.0531869 0.2445328 -0.1313882 -0.4063932 0.096333 1.6701306 -0.9957328 -0.0035638 -0.3707941 0.1844455 -0.2434278 0.1408053 0.0193029 -0.0148939 -0.1171191 0.0065003 0.0034259 0.0923898 0.0277027 0.1069178 -0.0201258 0.0991613 0.0347319 0.007771 -0.1113361 -0.0200226 0.0167686 -0.0886437 0.0186265 -0.0392597 -0.0252529 -0.0142037 -0.0713613 0.0028693 0.0347685 0.0123558 0.0962813 -0.1430691 0.3764971 -0.0261011 -0.0154608 -0.7276027 0.4667884 -0.0143591 0.1592332 -0.0798091 0.1708924 -0.1168954 0.079601 0.0178676 0.187256 -0.0083469 0.0112474 -0.1262706 0.047544 0.1111915 0.0150897 0.024115 0.0101918 0.0336886 0.022389 -0.0088839 -0.0525243 -0.0536914 -0.1472715 -0.1187458 -0.1061085 0.0305166 -0.0992492 -0.0717254 0.039786 0.0288293 0.058291 0.0396456 0.0005982 0.0381729 0.0109137 0.0813057 -0.1420336 -0.0380651 0.0675117 -0.0916871 0.0447964 -0.0770482 0.043333 -0.0385362 -0.0240416 0.0517016 0.0077423 -0.0775566 0.0769878 -0.1300773 0.0510874 -0.0084447 -0.0148613 -0.0127175 -0.003347 -0.0092968 0.0650852 -0.028083 -0.157139 -0.2727883 0.0538696 -0.0345473 -0.0552043 0.0434233 0.0093526 -0.0214003 -0.0013538 0.0423987 195.9635129|-17.7416433|117.3137311|-0.1436906|-2.8181807|89.7622118 0.000000618 -0.000000548 -0.000000971 -0.000000099 -0.000000436 0.000000042 0.000001024 -0.000000702 -0.000001259 0.000000904 0.000000039 -0.000001202 -0.000000579 -0.000001445 0.000000441 -0.000000418 -0.000001889 0.000000149 -0.000001132 -0.000001343 0.000001165 -0.000000270 0.000000254 0.000000436 -0.000000403 -0.000001572 0.000000067 0.000000360 -0.000001664 -0.000000959 0.000000491 -0.000002414 -0.000001218 0.000000597 -0.000001661 -0.000001177 -0.000000579 -0.000001433 0.000000484 -0.000000080 0.000000255 0.000000153 -0.000000545 0.000000819 0.000001011 0.000000468 0.000000283 -0.000000673 -0.000000483 0.000001241 0.000000937 -0.000001066 0.000000298 0.000001492 -0.000000581 0.000001535 0.000001145 0.000000689 0.000000790 -0.000000709 0.000000153 0.000001608 0.000000107 -0.000000696 0.000000483 0.000001046 -0.000000802 0.000001797 0.000001502 0.000001206 0.000001216 -0.000001332 0.000000604 0.000000214 -0.000000777 0.000000391 0.000002358 0.000000004 0.000000228 0.000001918 0.000000096 132.1177 AuxInfo=1/0/N:1;2;5;9;10;14;15;16;17;20;21;3;4;6;7;8;11;12;13;18;19;22;23;24;25;26;27/rA:27nC0C0H0H0C0H0H0H0C0C0H0H0H0C0C0C0C0H0H0C0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.8994,1.0934,.4943;1.3463,-.3412,.4595;1.2121,1.7398,-.0987;1.9425,1.4751,1.5228;1.8153,-1.0639,-.802;1.5484,-.5352,-1.7271;1.5784,-2.1307,-.8205;1.2267,-.9198,1.3792;3.0107,-.673,-.0859;3.2944,.8011,-.0935;3.4759,1.2231,-1.0957;4.1262,1.0829,.564;3.5877,-1.3963,.4939;-.5292,-.0958,.1301;-1.3046,-1.3408,.3764;-.8832,1.0627,-.2171;-2.7384,-1.0541,-.13;-.8867,-2.2208,-.1419;-1.3089,-1.5878,1.4542;-2.3149,1.4595,-.398;-3.2213,.3625,.2101;-2.7536,-1.181,-1.2264;-3.4336,-1.8015,.2847;-2.5458,2.4388,.0525;-2.5209,1.5752,-1.4769;-3.2331,.4816,1.3077;-4.2614,.4939,-.1318; Gaussian 16 GINC-N7362 ZW519 E-TS-housan-cyclohexyne-fo_tight_redo ES64L-G16RevC.02 75 C1[X(C11H16)] UwB97XD def2SVP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk UwB97XD/def2SVP 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 0 132.1177 AuxInfo=1/0/N:1;2;5;9;10;14;15;16;17;20;21;3;4;6;7;8;11;12;13;18;19;22;23;24;25;26;27/rA:27nC0C0H0H0C0H0H0H0C0C0H0H0H0C0C0C0C0H0H0C0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.8994,1.0934,.4943;1.3463,-.3412,.4595;1.2121,1.7398,-.0987;1.9425,1.4751,1.5228;1.8153,-1.0639,-.802;1.5484,-.5352,-1.7271;1.5784,-2.1307,-.8205;1.2267,-.9198,1.3792;3.0107,-.673,-.0859;3.2944,.8011,-.0935;3.4759,1.2231,-1.0957;4.1262,1.0829,.564;3.5877,-1.3963,.4939;-.5292,-.0958,.1301;-1.3046,-1.3408,.3764;-.8832,1.0627,-.2171;-2.7384,-1.0541,-.13;-.8867,-2.2208,-.1419;-1.3089,-1.5878,1.4542;-2.3149,1.4595,-.398;-3.2213,.3625,.21;-2.7536,-1.181,-1.2264;-3.4336,-1.8015,.2847;-2.5458,2.4388,.0525;-2.5209,1.5752,-1.4769;-3.2331,.4816,1.3077;-4.2614,.4939,-.1318; E-TS-housan-cyclohexyne-fo_tight_redo 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 12 12 1 1 12 1 1 1 12 12 1 1 1 12 12 12 12 1 1 12 12 1 1 1 1 1 1 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 1 1 0 1 1 1 0 0 1 1 1 0 0 0 0 1 1 0 0 1 1 1 1 1 1 3.6000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /u/local/apps/gaussian/G16_C02/g16_avx2/l101.exe) Structure from the checkpoint file: "/work/9544748.1.houk_pod_xgold.q/Gau-16946.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 1 1 1 1 2 2 2 2 5 5 5 9 9 10 10 14 14 15 15 15 16 17 17 17 20 20 20 21 21 2 3 4 10 5 8 9 14 6 7 9 10 13 11 12 15 16 17 18 19 20 21 22 23 21 24 25 26 27 1.5379 1.1144 1.0979 1.5418 1.5276 1.0932 1.7826 1.9199 1.0984 1.093 1.4473 1.5012 1.0919 1.1024 1.097 1.4872 1.2601 1.5474 1.1035 1.1058 1.4966 1.5348 1.1038 1.1018 1.5474 1.1024 1.1045 1.1042 1.1028 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 A59 2 2 2 3 3 4 1 1 1 1 5 5 8 8 9 2 2 6 6 7 2 2 5 5 10 1 1 1 9 9 11 2 2 15 14 14 14 17 17 18 14 15 15 15 21 21 22 16 16 16 21 21 24 17 17 17 20 20 26 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 5 5 5 5 5 9 9 9 9 9 10 10 10 10 10 10 14 14 14 15 15 15 15 15 15 16 17 17 17 17 17 17 20 20 20 20 20 20 21 21 21 21 21 21 3 4 10 4 10 10 5 8 9 14 8 14 9 14 14 6 7 7 9 9 10 13 10 13 13 9 11 12 11 12 12 15 16 16 17 18 19 18 19 19 20 21 22 23 22 23 23 21 24 25 24 25 25 20 26 27 26 27 27 107.8897 111.0746 98.0463 108.7285 117.7202 112.8014 110.4629 120.935 81.0698 103.6512 118.5481 102.6305 105.1279 96.0365 152.0494 113.1474 114.1546 113.7644 119.169 116.8086 89.7269 117.0132 114.7614 121.3512 123.5921 90.7555 115.0229 114.131 114.3023 113.1074 108.7692 111.957 116.052 131.9691 105.8909 113.0979 110.5149 110.1797 110.9037 106.3283 123.0788 112.9537 108.4493 109.6193 108.7789 110.1372 106.6902 108.9586 112.7366 108.9217 110.2745 110.4196 105.4829 112.5183 108.8552 109.7553 108.6887 110.2586 106.5715 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 3 3 3 3 4 4 4 4 10 10 10 10 2 2 2 3 3 3 4 4 4 1 1 8 8 14 14 1 1 8 8 14 14 1 1 5 5 8 8 9 9 6 6 7 7 2 2 2 5 5 5 13 13 13 2 2 2 16 16 16 2 15 14 14 14 18 18 18 19 19 19 14 14 14 15 15 15 22 22 22 23 23 23 16 16 16 24 24 24 25 25 25 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 5 5 5 5 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 20 20 20 2 2 2 2 2 2 2 2 2 2 2 2 10 10 10 10 10 10 10 10 10 5 5 5 5 5 5 9 9 9 9 9 9 14 14 14 14 14 14 14 14 9 9 9 9 10 10 10 10 10 10 10 10 10 15 15 15 15 15 15 16 16 17 17 17 17 17 17 17 17 17 20 20 20 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 5 8 9 14 5 8 9 14 5 8 9 14 9 11 12 9 11 12 9 11 12 6 7 6 7 6 7 10 13 10 13 10 13 15 16 15 16 15 16 15 16 10 13 10 13 1 11 12 1 11 12 1 11 12 17 18 19 17 18 19 20 20 21 22 23 21 22 23 21 22 23 21 24 25 20 26 27 20 26 27 20 26 27 17 26 27 17 26 27 17 26 27 84.6552 -130.4291 127.225 -24.6622 -156.2686 -11.3528 -113.6987 94.414 -37.9793 106.9364 4.5905 -147.2968 -5.3875 112.0239 -121.2352 -120.522 -3.1106 123.6303 111.5727 -131.0159 -4.275 -56.1383 171.6372 158.0046 25.7801 53.8464 -78.3781 -4.6682 123.5462 -124.4418 3.7727 97.6631 -134.1225 -166.5044 11.9982 78.4645 -103.0328 -42.6115 135.8911 96.7818 -84.7156 36.769 -149.2576 179.8166 -6.21 4.6004 -113.4405 121.3538 55.595 -62.4459 172.3484 -118.226 123.7331 -1.4726 -171.6593 -50.9057 68.1673 10.1501 130.9037 -110.0233 -174.5456 3.5864 -39.9716 80.6809 -163.1937 -162.6005 -41.948 74.1775 79.9477 -159.3998 -43.2743 12.8227 135.5894 -107.6905 59.4641 -61.0749 -177.3626 -61.0005 178.4605 62.1728 -177.6013 61.8597 -54.4281 -42.581 78.0537 -165.4725 -166.8136 -46.1789 70.2949 77.0066 -162.3587 -45.8848 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. saddle point 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. -0.02932 0.00140 0.00301 0.00309 0.00382 0.00642 0.00892 0.01002 0.01124 0.01727 0.02100 0.02225 0.02454 0.02754 0.02866 0.03196 0.03553 0.03727 0.03847 0.03864 0.03953 0.04229 0.04319 0.04374 0.04513 0.04819 0.04918 0.05048 0.05120 0.05483 0.05587 0.06200 0.06345 0.07064 0.07178 0.07574 0.08390 0.08468 0.08674 0.09060 0.10224 0.10802 0.11343 0.12686 0.14761 0.17145 0.19958 0.20195 0.22095 0.23913 0.24748 0.25305 0.25889 0.26789 0.30168 0.31250 0.31543 0.31888 0.32416 0.32863 0.33154 0.33334 0.33471 0.33712 0.33722 0.33831 0.34034 0.34334 0.34680 0.34813 0.35041 0.35852 0.36172 0.36563 0.79799 R8 R7 D22 D25 D6 1 0.71392 -0.34023 0.16964 -0.16767 0.16452 D9 D1 D2 D10 D5 Angle between quadratic step and forces= 71.93 degrees. 1 2 0.00000426 0.00000000 0.00000000 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 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 2.90623 2.10588 2.07477 2.91351 2.88683 2.06580 3.36868 3.62814 2.07564 2.06540 2.73498 2.83693 2.06342 2.08324 2.07312 2.81048 2.38131 2.92425 2.08533 2.08958 2.82815 2.90028 2.08584 2.08202 2.92423 2.08319 2.08726 2.08661 2.08392 1.88303 1.93862 1.71123 1.89767 2.05460 1.96876 1.92794 2.11071 1.41493 1.80905 2.06905 1.79124 1.83483 1.67615 2.65376 1.97479 1.99237 1.98556 2.07989 2.03869 1.56603 2.04227 2.00297 2.11798 2.15709 1.58398 2.00753 1.99196 1.99495 1.97410 1.89838 1.95402 2.02549 2.30329 1.84815 1.97393 1.92885 1.92300 1.93564 1.85578 2.14813 1.97141 1.89280 1.91322 1.89855 1.92226 1.86209 1.90169 1.96762 1.90104 1.92465 1.92719 1.84102 1.96381 1.89988 1.91559 1.89698 1.92438 1.86002 1.47751 -2.27642 2.22050 -0.43044 -2.72740 -0.19814 -1.98442 1.64784 -0.66286 1.86639 0.08012 -2.57081 -0.09403 1.95519 -2.11595 -2.10351 -0.05429 2.15775 1.94731 -2.28666 -0.07461 -0.97980 2.99563 2.75770 0.44995 0.93980 -1.36796 -0.08148 2.15629 -2.17192 0.06585 1.70454 -2.34088 -2.90605 0.20941 1.36946 -1.79826 -0.74371 2.37175 1.68916 -1.47857 0.64174 -2.60504 3.13839 -0.10838 0.08029 -1.97991 2.11802 0.97032 -1.08989 3.00805 -2.06343 2.15955 -0.02570 -2.99602 -0.88847 1.18974 0.17715 2.28470 -1.92027 -3.04640 0.06259 -0.69764 1.40815 -2.84827 -2.83791 -0.73213 1.29464 1.39535 -2.78205 -0.75528 0.22380 2.36648 -1.87955 1.03784 -1.06596 -3.09556 -1.06466 3.11472 1.08512 -3.09973 1.07966 -0.94995 -0.74318 1.36229 -2.88804 -2.91145 -0.80597 1.22688 1.34402 -2.83369 -0.80084 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00000 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 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00000 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 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.90623 2.10588 2.07477 2.91351 2.88683 2.06580 3.36868 3.62813 2.07564 2.06540 2.73498 2.83693 2.06342 2.08324 2.07312 2.81048 2.38131 2.92425 2.08533 2.08958 2.82815 2.90028 2.08584 2.08202 2.92423 2.08319 2.08726 2.08661 2.08392 1.88303 1.93862 1.71123 1.89767 2.05460 1.96876 1.92794 2.11071 1.41493 1.80906 2.06905 1.79124 1.83483 1.67615 2.65376 1.97479 1.99237 1.98556 2.07989 2.03870 1.56603 2.04227 2.00297 2.11798 2.15709 1.58398 2.00753 1.99196 1.99495 1.97410 1.89838 1.95402 2.02549 2.30329 1.84815 1.97393 1.92885 1.92300 1.93564 1.85578 2.14813 1.97141 1.89280 1.91322 1.89855 1.92226 1.86209 1.90169 1.96762 1.90104 1.92465 1.92719 1.84102 1.96381 1.89988 1.91559 1.89698 1.92438 1.86002 1.47751 -2.27642 2.22049 -0.43044 -2.72740 -0.19815 -1.98442 1.64783 -0.66287 1.86639 0.08012 -2.57081 -0.09403 1.95519 -2.11595 -2.10350 -0.05429 2.15776 1.94731 -2.28666 -0.07461 -0.97980 2.99564 2.75770 0.44995 0.93980 -1.36795 -0.08147 2.15629 -2.17192 0.06585 1.70455 -2.34087 -2.90605 0.20941 1.36946 -1.79826 -0.74371 2.37175 1.68915 -1.47857 0.64174 -2.60504 3.13839 -0.10838 0.08029 -1.97991 2.11802 0.97031 -1.08989 3.00804 -2.06343 2.15955 -0.02570 -2.99601 -0.88847 1.18975 0.17715 2.28470 -1.92027 -3.04640 0.06260 -0.69764 1.40815 -2.84827 -2.83792 -0.73213 1.29464 1.39535 -2.78205 -0.75528 0.22380 2.36648 -1.87956 1.03784 -1.06596 -3.09556 -1.06466 3.11472 1.08512 -3.09973 1.07965 -0.94995 -0.74318 1.36230 -2.88804 -2.91145 -0.80597 1.22688 1.34402 -2.83369 -0.80084 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000017 0.000004 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -2.067750e-12 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 1 1 1 1 2 2 2 2 5 5 5 9 9 10 10 14 14 15 15 15 16 17 17 17 20 20 20 21 21 2 3 4 10 5 8 9 14 6 7 9 10 13 11 12 15 16 17 18 19 20 21 22 23 21 24 25 26 27 1.5379 1.1144 1.0979 1.5418 1.5276 1.0932 1.7826 1.9199 1.0984 1.093 1.4473 1.5012 1.0919 1.1024 1.097 1.4872 1.2601 1.5474 1.1035 1.1058 1.4966 1.5348 1.1038 1.1018 1.5474 1.1024 1.1045 1.1042 1.1028 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A59 2 2 2 3 3 4 1 1 1 1 5 5 8 8 9 2 2 6 6 7 2 2 5 5 10 1 1 1 9 9 11 2 2 15 14 14 14 17 17 18 14 15 15 15 21 21 22 16 16 16 21 21 24 17 17 17 20 20 26 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 5 5 5 5 5 9 9 9 9 9 10 10 10 10 10 10 14 14 14 15 15 15 15 15 15 16 17 17 17 17 17 17 20 20 20 20 20 20 21 21 21 21 21 21 3 4 10 4 10 10 5 8 9 14 8 14 9 14 14 6 7 7 9 9 10 13 10 13 13 9 11 12 11 12 12 15 16 16 17 18 19 18 19 19 20 21 22 23 22 23 23 21 24 25 24 25 25 20 26 27 26 27 27 107.8897 111.0746 98.0463 108.7285 117.7202 112.8014 110.4629 120.935 81.0698 103.6512 118.5481 102.6305 105.1279 96.0365 152.0494 113.1474 114.1546 113.7644 119.169 116.8086 89.7269 117.0132 114.7614 121.3512 123.5921 90.7555 115.0229 114.131 114.3023 113.1074 108.7692 111.957 116.052 131.9691 105.8909 113.0979 110.5149 110.1797 110.9037 106.3283 123.0788 112.9537 108.4493 109.6193 108.7789 110.1372 106.6902 108.9586 112.7366 108.9217 110.2745 110.4196 105.4829 112.5183 108.8552 109.7553 108.6887 110.2586 106.5715 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 3 3 3 3 4 4 4 4 10 10 10 10 2 2 2 3 3 3 4 4 4 1 1 8 8 14 14 1 1 8 8 14 14 1 1 5 5 8 8 9 9 6 6 7 7 2 2 2 5 5 5 13 13 13 2 2 2 16 16 16 2 15 14 14 14 18 18 18 19 19 19 14 14 14 15 15 15 22 22 22 23 23 23 16 16 16 24 24 24 25 25 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 5 5 5 5 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 20 20 2 2 2 2 2 2 2 2 2 2 2 2 10 10 10 10 10 10 10 10 10 5 5 5 5 5 5 9 9 9 9 9 9 14 14 14 14 14 14 14 14 9 9 9 9 10 10 10 10 10 10 10 10 10 15 15 15 15 15 15 16 16 17 17 17 17 17 17 17 17 17 20 20 20 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 5 8 9 14 5 8 9 14 5 8 9 14 9 11 12 9 11 12 9 11 12 6 7 6 7 6 7 10 13 10 13 10 13 15 16 15 16 15 16 15 16 10 13 10 13 1 11 12 1 11 12 1 11 12 17 18 19 17 18 19 20 20 21 22 23 21 22 23 21 22 23 21 24 25 20 26 27 20 26 27 20 26 27 17 26 27 17 26 27 17 26 84.6552 -130.4291 127.225 -24.6622 -156.2686 -11.3528 -113.6987 94.414 -37.9793 106.9364 4.5905 -147.2968 -5.3875 112.0239 -121.2352 -120.522 -3.1106 123.6303 111.5727 -131.0159 -4.275 -56.1383 171.6372 158.0046 25.7801 53.8464 -78.3781 -4.6682 123.5462 -124.4418 3.7727 97.6631 -134.1225 -166.5044 11.9982 78.4645 -103.0328 -42.6115 135.8911 96.7818 -84.7156 36.769 -149.2576 179.8166 -6.21 4.6004 -113.4405 121.3538 55.595 -62.4459 172.3484 -118.226 123.7331 -1.4726 -171.6593 -50.9057 68.1673 10.1501 130.9037 -110.0233 -174.5456 3.5864 -39.9716 80.6809 -163.1937 -162.6005 -41.948 74.1775 79.9477 -159.3998 -43.2743 12.8227 135.5894 -107.6905 59.4641 -61.0749 -177.3626 -61.0005 178.4605 62.1728 -177.6013 61.8597 -54.4281 -42.581 78.0537 -165.4725 -166.8136 -46.1789 70.2949 77.0066 -162.3587 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 245 A 234 A 234 387 245 41 41 602.3099066685 27 27 27 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 Grimme-D2 -0.0190534840 0.000000 1.537908 0.000000 1.114386 2.158690 0.000000 1.097923 2.187444 1.798051 0.000000 2.518242 1.527644 2.952828 3.444938 0.000000 2.776652 2.204388 2.817796 3.841627 1.098383 0.000000 3.496681 2.212400 3.954243 4.315732 1.092963 1.835362 0.000000 2.299716 1.093177 3.042693 2.503695 2.263822 3.146447 2.535459 0.000000 2.166054 1.782631 3.009432 2.888480 1.447287 2.202421 2.171648 2.321626 0.000000 1.541764 2.325075 2.284134 2.212345 2.483629 2.739155 3.474092 3.066928 1.501239 0.000000 2.242803 3.066055 2.527025 3.044903 2.841539 2.684319 3.863224 3.971889 2.198005 1.102404 0.000000 2.227894 3.125169 3.059853 2.416943 3.437320 3.809491 4.328457 3.616933 2.179433 1.097048 1.788034 0.000000 3.008134 2.477542 3.978645 3.465542 2.220661 3.135751 2.510825 2.566059 1.091914 2.293443 3.066030 2.537982 0.000000 2.728554 1.919927 2.540438 3.242953 2.702309 2.821013 3.079975 2.307074 3.593115 3.933789 4.391224 4.821844 4.332670 0.000000 4.025529 2.834314 4.006166 4.448266 3.346467 3.634939 3.219936 2.755082 4.391041 5.095080 5.620830 5.950025 4.893969 1.487242 0.000000 2.872274 2.720141 2.205173 3.343945 3.485168 3.278078 4.076939 3.306092 4.265238 4.187662 4.449698 5.069973 5.151774 1.260135 2.511254 0.000000 5.148909 4.188180 4.838748 5.571351 4.603038 4.603960 4.502309 4.244818 5.761912 6.311816 6.688525 7.222991 6.365997 2.422142 1.547446 2.816057 0.000000 4.376173 2.980057 4.482498 4.943178 3.012388 3.359047 2.558301 2.910805 4.193805 5.159076 5.639325 6.044936 4.593853 2.171934 1.103508 3.284334 2.188711 0.000000 4.289918 3.097325 4.454168 4.467367 3.889109 4.403636 3.715512 2.623183 4.676243 5.412295 6.107135 6.120851 4.993456 2.141784 1.105757 3.162170 2.199619 1.768199 0.000000 4.323221 4.169115 3.550713 4.670646 4.856815 4.546378 5.312749 4.621933 5.745107 5.656009 5.837458 6.523375 6.617446 2.426180 3.075982 1.496591 2.563035 3.955957 3.705182 0.000000 5.180382 4.628165 4.652622 5.442956 5.331563 5.225654 5.505877 4.774515 6.324319 6.537509 6.877341 7.391166 7.038132 2.731982 2.569530 2.477727 1.534761 3.499667 3.001480 1.547435 0.000000 5.457487 4.511818 5.052661 6.055275 4.590014 4.378878 4.453380 4.764482 5.897929 6.464605 6.678594 7.460708 6.573973 2.822341 2.166562 3.090510 1.103779 2.396373 3.072164 2.801946 2.159745 0.000000 6.071707 5.001058 5.854085 6.416516 5.410693 5.520018 5.142920 4.867665 6.552837 7.223817 7.667797 8.096191 7.036048 3.371790 2.180223 3.867796 1.101757 2.616241 2.434745 3.514477 2.175691 1.769383 0.000000 4.665272 4.800180 3.825296 4.820297 5.658396 5.364029 6.216977 5.222269 6.369957 6.067217 6.249545 6.827522 7.247168 3.239859 3.991296 2.174925 3.502922 4.949937 4.439375 1.102376 2.189066 3.844669 4.338454 0.000000 4.863800 4.730439 3.982637 5.378675 5.120795 4.590745 5.564963 5.331720 6.130857 6.027497 6.019192 6.970725 7.073060 3.056403 3.662964 2.128815 2.962242 4.343121 4.479427 1.104532 2.192532 2.777399 3.916487 1.756504 0.000000 5.232454 4.729386 4.829159 5.274474 5.685545 5.753767 5.873969 4.675362 6.500762 6.683880 7.164983 7.421160 7.121174 3.005214 2.812022 2.860861 2.161037 3.861346 2.829559 2.169975 1.104189 3.068527 2.509852 2.424606 3.075338 0.000000 6.221543 5.700313 5.613645 6.495351 6.308906 6.112088 6.439431 5.865302 7.365292 7.562233 7.831200 8.437033 8.097690 3.787618 3.516701 3.426843 2.171567 4.331129 3.945435 2.189153 1.102763 2.505397 2.475391 2.600027 2.451210 1.769152 0.000000 C11H16 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 0 132.1177 AuxInfo=1/0/N:1;2;5;9;10;14;15;16;17;20;21;3;4;6;7;8;11;12;13;18;19;22;23;24;25;26;27/rA:27nC0C0H0H0C0H0H0H0C0C0H0H0H0C0C0C0C0H0H0C0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.8994,1.0933,-.4942;-1.3463,-.3412,-.4594;-1.2122,1.7397,.0987;-1.9426,1.475,-1.5228;-1.8152,-1.064,.8021;-1.5483,-.5352,1.7271;-1.5783,-2.1308,.8205;-1.2267,-.9199,-1.3792;-3.0106,-.6731,.086;-3.2945,.801,.0936;-3.476,1.2229,1.0957;-4.1262,1.0827,-.564;-3.5876,-1.3965,-.4939;.5292,-.0958,-.13;1.3047,-1.3407,-.3764;.8832,1.0627,.2171;2.7385,-1.054,.1301;.8868,-2.2207,.142;1.3089,-1.5877,-1.4542;2.3148,1.4596,.398;3.2213,.3626,-.21;2.7537,-1.1809,1.2264;3.4337,-1.8014,-.2847;2.5457,2.4389,-.0524;2.5208,1.5754,1.4769;3.2331,.4817,-1.3077;4.2614,.4941,.1318; 2.6485693 0.6244852 0.5444087 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 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= 244 244 244 244 244 MxSgAt= 27 MxSgA2= 27. 1 open 1 1 1 -428.148099542632 -428.148099543 1 0.0000 4.229434964159e+02 -2.193507811905e+03 7.401253627623e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 3221225472 LenX= 3221098986 LenY= 3221038520 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. 0.0000 Using compressed storage, NAtomX= 27. Will process 28 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=111111111111111111111111111 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. 8117 words used for storage of precomputed grid. Keep R1 and R2 ints in memory in canonical form, NReq=1531406365. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 27495 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Two-electron integral symmetry not used. MDV= 3221225472 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 0. There are 84 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 81 vectors produced by pass 0 Test12= 1.88D-14 1.19D-09 XBig12= 2.44D+02 8.31D+00. AX will form 81 AO Fock derivatives at one time. 81 vectors produced by pass 1 Test12= 1.88D-14 1.19D-09 XBig12= 3.15D+01 4.28D-01. 81 vectors produced by pass 2 Test12= 1.88D-14 1.19D-09 XBig12= 7.81D-01 7.20D-02. 81 vectors produced by pass 3 Test12= 1.88D-14 1.19D-09 XBig12= 6.39D-03 6.04D-03. 81 vectors produced by pass 4 Test12= 1.88D-14 1.19D-09 XBig12= 4.21D-05 5.29D-04. 81 vectors produced by pass 5 Test12= 1.88D-14 1.19D-09 XBig12= 2.16D-07 2.78D-05. 68 vectors produced by pass 6 Test12= 1.88D-14 1.19D-09 XBig12= 9.94D-10 2.09D-06. 16 vectors produced by pass 7 Test12= 1.88D-14 1.19D-09 XBig12= 6.85D-12 6.12D-07. 3 vectors produced by pass 8 Test12= 1.88D-14 1.19D-09 XBig12= 4.31D-14 3.00D-08. 3 vectors produced by pass 9 Test12= 1.88D-14 1.19D-09 XBig12= 1.31D-15 1.40D-08. InvSVY: IOpt=1 It= 1 EMax= 5.33D-15 Solved reduced A of dimension 576 with 84 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 134.35 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 195.962 17.745 117.315 -0.144 2.818 89.762 198.682 35.655 149.821 2.316 7.707 110.259 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 C C H H C H H H C C H H H C C C C H H C C H H H H H H 13 13 1 1 13 1 1 1 13 13 1 1 1 13 13 13 13 1 1 13 13 1 1 1 1 1 1 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00007 0.00006 0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00003 0.00009 -0.00002 0.00002 0.00000 -0.00002 0.00012 -0.00005 -0.00035 0.00002 0.00001 0.00001 -0.00003 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00001 0.00003 0.00002 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00003 -0.00001 0.00001 0.00000 -0.00001 0.00004 -0.00002 -0.00013 0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00002 0.00002 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00003 -0.00001 0.00001 0.00000 -0.00001 0.00004 -0.00002 -0.00012 0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 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 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 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 -0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 0.000001 0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000001 -0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.5415 0.5852 0.6036 0.8312 -0.4802 -0.2802 -0.1259 -0.6534 0.7465 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 1 C 13 0.9659 0.2426 0.0906 -0.258 0.9318 0.2554 -0.0225 -0.2701 0.9626 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 2 C 13 0.9722 -0.0662 0.2245 -0.1934 0.3127 0.93 0.1317 0.9476 -0.2912 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 3 H 1 0.7356 0.1257 0.6657 -0.5508 0.683 0.4797 0.3944 0.7195 -0.5716 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 4 H 1 -0.155 0.8723 0.4637 0.8233 -0.1453 0.5486 -0.546 -0.4668 0.6957 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 5 C 13 0.448 0.7707 -0.4531 0.7102 -0.6146 -0.3432 0.543 0.168 0.8227 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 6 H 1 0.5636 0.6458 0.515 -0.5842 -0.1291 0.8013 -0.584 0.7525 -0.3045 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 7 H 1 0.1535 0.8046 0.5736 0.8668 -0.3884 0.3128 -0.4745 -0.4492 0.757 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 8 H 1 0.6501 0.3659 0.666 -0.3861 0.9139 -0.1252 -0.6545 -0.1758 0.7354 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 9 C 13 0.7983 0.583 -0.1511 0.3208 -0.1992 0.926 -0.5097 0.7877 0.3461 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 10 C 13 0.9294 0.2553 -0.2665 0.3382 -0.3002 0.8919 -0.1477 0.9191 0.3653 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 11 H 1 0.7956 0.4751 0.3759 -0.4405 0.0277 0.8973 -0.4159 0.8795 -0.2313 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 12 H 1 -0.5922 0.7247 -0.3523 -0.6373 -0.1537 0.7552 0.4931 0.6717 0.5528 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 13 H 1 -0.2334 0.9311 0.2805 -0.1532 -0.3201 0.9349 0.9602 0.1752 0.2174 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 14 C 13 -0.5484 0.8171 0.1775 0.8277 0.5606 -0.0234 0.1186 -0.1341 0.9838 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 15 C 13 0.7472 -0.6646 0.0091 -0.181 -0.1903 0.9649 0.6395 0.7226 0.2625 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 16 C 13 -0.2986 0.9111 0.2842 -0.2878 -0.3699 0.8834 0.9099 0.182 0.3727 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 17 C 13 0.4556 0.7683 -0.4495 -0.0149 0.5115 0.8591 0.89 -0.3847 0.2445 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 18 H 1 0.2333 0.114 0.9657 0.0839 0.987 -0.1368 0.9688 -0.1129 -0.2207 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 19 H 1 0.9951 -0.0326 0.0937 -0.095 -0.5863 0.8045 -0.0287 0.8094 0.5865 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 20 C 13 -0.6373 0.704 0.3135 0.0526 -0.3661 0.9291 0.7688 0.6086 0.1962 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 21 C 13 -0.2522 0.9595 -0.1253 0.7152 0.0976 -0.692 0.6518 0.2641 0.7109 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 22 H 1 -0.0869 0.9948 0.0534 0.0484 -0.0493 0.9976 0.995 0.0893 -0.0438 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 23 H 1 0.7812 0.5916 -0.1995 -0.5678 0.8061 0.1669 0.2595 -0.0171 0.9656 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 24 H 1 0.748 0.0833 0.6585 -0.6339 0.3837 0.6715 0.1967 0.9197 -0.3399 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 25 H 1 -0.4914 0.4005 0.7734 0.6297 -0.45 0.6332 0.6016 0.7982 -0.0311 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 26 H 1 (Enter /u/local/apps/gaussian/G16_C02/g16_avx2/l716.exe) PT2809.800S Thu Jun 19 22:02:34 2025 -10.34019 -10.32698 -10.32394 -10.30565 -10.29958 -10.29576 -10.28845 -10.28730 -10.28072 -10.27347 -10.23656 -0.99587 -0.91061 -0.83441 -0.81835 -0.80733 -0.76150 -0.69201 -0.68155 -0.66384 -0.63143 -0.61182 -0.55656 -0.55137 -0.53499 -0.52154 -0.50238 -0.49712 -0.48682 -0.48455 -0.46641 -0.45169 -0.43931 -0.42480 -0.41692 -0.40468 -0.40183 -0.39511 -0.34181 -0.29821 -0.23981 0.01691 0.11967 0.13911 0.14812 0.15872 0.16885 0.17892 0.18893 0.19205 0.20149 0.20689 0.21324 0.22077 0.22889 0.23066 0.24580 0.24673 0.25927 0.26758 0.29217 0.29456 0.30679 0.31761 0.33032 0.34851 0.35525 0.35929 0.40677 0.41914 0.45173 0.48226 0.50186 0.51217 0.52338 0.53237 0.54552 0.54585 0.56462 0.59210 0.60307 0.61750 0.62072 0.64216 0.65514 0.66494 0.67179 0.68440 0.69718 0.70515 0.71674 0.71874 0.73051 0.73303 0.73903 0.74706 0.75353 0.75736 0.76588 0.76801 0.77127 0.77865 0.78200 0.78623 0.78723 0.79322 0.79818 0.80762 0.80974 0.81700 0.81908 0.83015 0.84411 0.86404 0.86591 0.87893 0.90703 0.92357 0.96400 0.97110 1.00439 1.02853 1.07179 1.12639 1.16368 1.20068 1.20798 1.24036 1.26247 1.28161 1.30859 1.34972 1.36813 1.37738 1.40713 1.44714 1.45674 1.50082 1.52063 1.54244 1.58319 1.60461 1.63530 1.65331 1.68922 1.69616 1.72059 1.72974 1.75605 1.75942 1.76910 1.79775 1.81503 1.82964 1.83398 1.85554 1.86492 1.86799 1.88236 1.89068 1.89855 1.90226 1.90881 1.92357 1.93429 1.94515 1.94837 1.96756 1.97705 1.99195 1.99289 1.99886 2.00761 2.02444 2.03352 2.04206 2.04647 2.05670 2.06956 2.11401 2.11792 2.14379 2.17090 2.17654 2.20885 2.21543 2.24479 2.25784 2.27337 2.29622 2.32525 2.32989 2.34455 2.35337 2.37672 2.41033 2.42743 2.45063 2.49233 2.49763 2.52165 2.54385 2.56193 2.56905 2.58917 2.62692 2.63970 2.65853 2.69962 2.71659 2.74042 2.75040 2.78207 2.81209 2.81871 2.86957 2.87472 2.88635 2.91130 2.94173 2.95821 2.99299 3.01142 3.02012 3.03390 3.08913 3.09649 3.10208 3.11819 3.13122 3.17217 3.19337 3.27405 3.29051 -10.34019 -10.32698 -10.32394 -10.30565 -10.29958 -10.29576 -10.28845 -10.28730 -10.28072 -10.27347 -10.23656 -0.99587 -0.91061 -0.83441 -0.81835 -0.80733 -0.76150 -0.69201 -0.68155 -0.66384 -0.63143 -0.61182 -0.55656 -0.55137 -0.53499 -0.52154 -0.50238 -0.49712 -0.48682 -0.48455 -0.46641 -0.45169 -0.43931 -0.42480 -0.41692 -0.40468 -0.40183 -0.39511 -0.34181 -0.29821 -0.23982 0.01691 0.11967 0.13911 0.14812 0.15872 0.16885 0.17892 0.18893 0.19205 0.20149 0.20689 0.21324 0.22077 0.22889 0.23066 0.24580 0.24673 0.25927 0.26758 0.29217 0.29456 0.30679 0.31761 0.33032 0.34851 0.35525 0.35929 0.40677 0.41914 0.45173 0.48226 0.50186 0.51217 0.52338 0.53237 0.54552 0.54585 0.56462 0.59210 0.60307 0.61750 0.62072 0.64216 0.65514 0.66494 0.67179 0.68440 0.69718 0.70515 0.71674 0.71874 0.73051 0.73303 0.73903 0.74706 0.75353 0.75736 0.76588 0.76801 0.77127 0.77865 0.78200 0.78623 0.78723 0.79322 0.79818 0.80762 0.80974 0.81700 0.81908 0.83015 0.84411 0.86404 0.86591 0.87893 0.90703 0.92357 0.96400 0.97110 1.00439 1.02853 1.07179 1.12639 1.16368 1.20068 1.20798 1.24036 1.26247 1.28161 1.30859 1.34972 1.36813 1.37738 1.40713 1.44714 1.45674 1.50082 1.52063 1.54244 1.58319 1.60461 1.63530 1.65331 1.68922 1.69616 1.72059 1.72974 1.75605 1.75942 1.76910 1.79775 1.81503 1.82964 1.83398 1.85554 1.86492 1.86799 1.88236 1.89068 1.89855 1.90226 1.90881 1.92357 1.93429 1.94515 1.94837 1.96756 1.97705 1.99195 1.99289 1.99886 2.00761 2.02444 2.03352 2.04206 2.04647 2.05670 2.06956 2.11401 2.11792 2.14379 2.17090 2.17654 2.20885 2.21543 2.24479 2.25784 2.27337 2.29622 2.32525 2.32989 2.34455 2.35337 2.37672 2.41033 2.42743 2.45063 2.49233 2.49763 2.52165 2.54385 2.56193 2.56905 2.58917 2.62692 2.63970 2.65853 2.69962 2.71659 2.74042 2.75040 2.78207 2.81209 2.81871 2.86957 2.87472 2.88635 2.91130 2.94173 2.95821 2.99299 3.01142 3.02012 3.03390 3.08913 3.09649 3.10208 3.11819 3.13122 3.17217 3.19337 3.27405 3.29051 1-A. -7.68430135e-01 -8.48043218e-01 -2.07197939e-01 1.95962045e+02 1.77449056e+01 1.17315203e+02 -1.43807530e-01 2.81817475e+00 8.97622119e+01 -562.4684 -9.6270 -6.7944 0.0004 0.0007 0.0009 3.6629 50.7275 78.0442 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -562.4683 50.7208 78.0381 108.5400 156.6025 217.7935 229.7206 270.0814 295.4573 344.9266 402.6840 463.2248 482.8490 490.7162 618.0823 643.3587 782.9261 801.5222 815.3323 825.5513 840.7123 908.2510 919.5870 929.4301 937.1785 944.1397 964.7250 992.2934 1020.4496 1039.4413 1061.0289 1066.5215 1078.8315 1123.3552 1138.8543 1145.9917 1154.9985 1188.6457 1193.7895 1217.2468 1241.4287 1248.3615 1262.9980 1274.9675 1278.8447 1320.4585 1333.5897 1349.2412 1351.0196 1378.6969 1395.9719 1447.4631 1453.1310 1456.9519 1462.4791 1475.2329 1486.5499 1494.9951 1973.2993 2918.9115 3026.9780 3043.8037 3047.3533 3050.8738 3065.0278 3081.7843 3094.2005 3103.5462 3104.5643 3113.6509 3145.2723 3160.3541 3191.9096 3218.8230 3231.7445 9.4409 2.8904 2.9971 2.8789 2.7400 2.7983 2.4178 3.7044 1.7246 2.2754 2.7317 4.4110 2.2862 2.2706 4.0185 3.0030 1.9211 1.2840 1.2787 1.4880 2.8964 1.6080 2.4577 2.4858 1.4015 1.9415 1.3939 2.5989 1.4008 1.7559 1.4493 1.7236 1.6717 2.6922 1.2879 1.1791 1.5027 1.3092 1.4010 1.4339 1.3564 1.3292 1.2360 1.6219 1.4141 1.4938 1.5917 1.3933 1.4311 1.4694 1.5852 1.0816 1.0783 1.0852 1.0967 1.1098 1.1825 1.5563 10.8519 1.0739 1.0631 1.0612 1.0658 1.0660 1.0675 1.1006 1.1012 1.0639 1.1036 1.1056 1.0968 1.1007 1.0916 1.1021 1.1032 1.7598 0.0044 0.0108 0.0200 0.0396 0.0782 0.0752 0.1592 0.0887 0.1595 0.2610 0.5577 0.3140 0.3221 0.9045 0.7323 0.6938 0.4860 0.5008 0.5975 1.2062 0.7815 1.2245 1.2652 0.7252 1.0197 0.7643 1.5077 0.8594 1.1177 0.9613 1.1551 1.1463 2.0016 0.9842 0.9124 1.1811 1.0899 1.1764 1.2517 1.2316 1.2205 1.1617 1.5534 1.3626 1.5346 1.6678 1.4944 1.5390 1.6456 1.8201 1.3351 1.3416 1.3573 1.3820 1.4231 1.5396 2.0493 24.8967 5.3908 5.7392 5.7929 5.8312 5.8462 5.9086 6.1588 6.2116 6.0374 6.2669 6.3152 6.3928 6.4773 6.5528 6.7277 6.7886 264.0426 0.4961 1.3318 2.3795 7.2666 1.8136 4.4445 3.3594 0.4395 7.6207 0.7340 47.3113 0.5301 21.2649 27.5398 18.2539 133.9216 7.3585 28.2058 5.2503 2.5024 1.9592 30.9190 6.0761 4.4873 0.1535 5.6539 11.3045 0.6691 38.2440 1.7843 0.3817 1.5751 12.0473 1.7578 1.7420 0.4205 9.7581 1.7950 10.4191 15.8840 2.9784 5.2351 6.7829 1.1616 6.1638 3.7850 1.1238 5.9327 8.3644 8.4089 3.3436 6.3411 4.2806 4.1277 0.7520 5.3099 4.5431 327.3417 10.3714 42.6833 25.9585 76.7656 28.3714 61.4490 27.2080 37.7801 9.9416 37.2974 42.5482 3.3340 19.3439 1.8407 0.9581 5.3926 0.04 -0.06 -0.02 0.71 0.12 0.10 0.03 -0.01 0.02 0.05 -0.08 -0.02 -0.06 -0.00 -0.11 -0.05 -0.01 -0.10 -0.06 -0.01 -0.06 -0.24 0.02 0.01 -0.17 0.01 0.18 0.02 -0.03 -0.01 0.12 0.05 -0.02 0.01 -0.01 0.01 0.12 0.14 -0.28 -0.35 -0.03 -0.09 -0.00 0.04 0.01 -0.10 0.01 0.01 -0.02 0.00 0.00 0.01 0.01 -0.02 0.03 0.01 0.01 -0.06 -0.06 -0.02 -0.01 -0.01 -0.01 -0.01 0.02 0.01 -0.02 -0.01 0.02 -0.08 -0.05 -0.02 -0.05 -0.04 -0.02 -0.01 -0.02 -0.01 -0.01 0.01 -0.00 -0.00 0.04 0.11 -0.01 0.03 -0.05 0.04 -0.00 0.11 -0.07 0.12 0.14 -0.01 -0.14 -0.15 -0.00 -0.29 -0.06 -0.04 -0.15 -0.32 -0.01 0.14 -0.12 -0.01 -0.00 -0.07 0.02 0.00 0.16 0.11 -0.14 0.24 -0.01 0.13 0.26 -0.04 0.11 -0.18 0.00 0.02 -0.04 -0.00 -0.02 0.10 0.02 0.04 -0.15 -0.02 0.01 0.15 -0.04 0.03 0.16 0.04 -0.11 0.13 0.01 0.05 -0.13 0.02 -0.03 0.02 -0.08 0.12 0.16 -0.02 -0.04 0.26 0.04 -0.01 -0.23 -0.03 0.17 -0.14 0.07 -0.15 0.01 0.00 -0.02 0.06 -0.05 -0.02 -0.08 -0.02 -0.01 -0.07 -0.00 0.02 -0.18 -0.17 -0.07 -0.10 0.12 0.06 0.03 0.22 0.12 -0.04 0.15 0.06 0.06 -0.09 -0.05 -0.05 0.04 -0.01 0.13 0.02 -0.01 0.09 0.12 0.03 0.09 -0.06 -0.06 0.16 -0.01 -0.05 0.24 -0.01 0.03 -0.17 -0.00 0.03 -0.16 -0.02 0.02 -0.11 -0.07 -0.03 0.08 -0.09 -0.00 -0.29 0.16 0.12 -0.18 -0.03 -0.01 0.04 0.03 -0.04 0.18 -0.26 -0.06 0.08 -0.03 -0.05 0.17 0.04 -0.03 0.04 -0.16 0.02 0.06 0.22 -0.03 0.18 -0.02 -0.08 0.36 0.08 -0.06 -0.11 -0.04 -0.11 -0.04 0.23 -0.07 -0.25 -0.03 -0.17 -0.14 -0.07 -0.05 -0.02 0.02 -0.10 -0.02 -0.21 -0.08 -0.05 -0.07 -0.16 -0.01 -0.06 0.11 0.04 0.13 0.14 0.10 0.36 0.15 0.14 0.06 0.27 0.24 -0.19 0.20 0.05 0.00 -0.10 -0.00 0.08 -0.05 0.00 -0.06 -0.09 0.01 0.07 0.06 -0.02 0.14 -0.07 0.02 0.08 -0.07 0.01 -0.10 0.02 0.04 -0.03 0.10 0.01 0.10 0.03 -0.02 0.12 0.12 -0.05 -0.17 0.05 0.07 -0.12 0.00 0.05 -0.05 0.13 0.01 -0.04 0.16 0.00 -0.04 0.02 -0.14 0.02 0.04 -0.11 0.01 0.09 -0.28 -0.23 -0.08 -0.17 0.15 0.01 -0.06 0.20 0.02 -0.08 0.21 0.02 -0.10 0.07 0.03 -0.10 0.12 -0.02 -0.00 0.06 -0.03 0.08 0.23 -0.07 0.12 -0.06 -0.03 0.23 0.10 -0.03 0.03 -0.03 0.05 0.05 -0.10 -0.00 0.14 -0.04 0.05 0.08 -0.05 -0.02 -0.02 -0.10 0.09 0.29 -0.21 -0.15 0.17 -0.00 -0.04 0.07 -0.08 -0.02 -0.08 0.08 -0.01 -0.02 -0.10 -0.03 -0.09 0.03 -0.01 0.17 0.04 -0.17 0.07 -0.24 -0.00 -0.08 -0.03 -0.03 -0.22 -0.06 -0.09 -0.13 0.01 -0.07 0.07 -0.04 0.09 -0.34 -0.21 -0.33 -0.21 -0.12 -0.09 0.01 -0.20 -0.15 0.07 -0.17 -0.10 -0.02 0.07 -0.12 0.11 -0.08 -0.02 -0.02 -0.00 -0.00 0.04 0.20 -0.04 0.10 -0.09 0.10 0.20 -0.08 0.05 -0.11 0.01 0.12 0.09 -0.04 0.12 -0.03 0.09 0.11 0.04 -0.02 -0.02 -0.03 -0.08 0.07 -0.14 -0.06 0.25 -0.07 0.14 0.02 -0.01 0.09 -0.05 0.02 -0.03 -0.07 -0.04 -0.08 -0.06 -0.06 0.19 -0.01 -0.05 0.17 0.05 -0.02 0.15 -0.04 0.02 0.08 -0.12 0.06 0.08 -0.00 -0.00 0.01 -0.02 -0.00 0.10 -0.04 0.01 0.10 0.01 -0.00 0.04 -0.02 0.02 0.03 -0.01 0.02 0.04 -0.02 0.01 0.09 -0.02 0.01 0.09 0.01 -0.05 0.08 0.01 -0.01 0.08 -0.01 0.00 0.08 0.02 0.00 0.09 0.01 -0.05 -0.03 -0.02 0.09 -0.02 0.04 -0.11 -0.05 -0.04 0.19 -0.10 0.00 0.07 -0.06 -0.09 -0.34 0.09 0.29 -0.17 -0.04 0.04 -0.11 -0.07 -0.03 -0.03 -0.27 0.11 0.09 -0.06 -0.05 0.24 -0.19 -0.05 -0.40 0.16 0.34 -0.18 -0.08 -0.14 -0.04 -0.06 -0.02 -0.06 -0.18 0.06 -0.08 -0.02 0.11 -0.09 -0.22 0.13 -0.12 -0.31 0.05 -0.07 0.00 0.08 -0.10 0.06 0.09 -0.12 0.07 0.10 -0.11 -0.12 0.13 -0.12 -0.13 -0.02 0.08 -0.13 -0.02 0.04 -0.06 -0.01 0.05 -0.19 -0.05 0.11 -0.15 -0.04 0.13 0.03 -0.07 0.00 0.14 -0.04 -0.00 0.06 -0.14 0.20 0.11 0.02 0.08 0.17 -0.09 -0.06 0.22 -0.00 -0.01 0.06 -0.02 -0.04 0.08 -0.01 -0.05 0.04 0.13 0.09 0.14 -0.02 0.19 -0.12 -0.06 -0.22 0.24 0.17 -0.09 0.01 -0.08 -0.05 0.09 0.06 -0.11 -0.02 0.03 -0.01 0.01 0.04 -0.01 -0.02 0.05 -0.04 -0.05 0.01 -0.02 0.02 0.02 -0.01 -0.00 0.04 -0.01 0.06 0.03 -0.01 0.03 0.04 -0.01 0.03 -0.00 -0.02 -0.00 -0.01 0.01 0.02 -0.04 0.03 -0.02 -0.00 0.04 0.05 -0.01 -0.03 -0.02 -0.04 0.07 -0.04 -0.03 0.04 -0.03 -0.02 0.02 0.04 -0.06 -0.12 0.03 -0.02 0.12 -0.17 -0.07 0.05 -0.05 0.05 -0.08 0.05 0.00 0.12 0.20 -0.31 -0.15 -0.01 0.05 -0.38 -0.12 -0.04 -0.32 -0.04 0.34 -0.11 0.36 0.07 0.13 -0.03 -0.03 0.40 0.05 -0.05 0.02 -0.03 -0.08 -0.08 0.03 -0.17 0.16 0.19 0.09 0.07 0.05 -0.09 -0.07 0.28 -0.21 -0.07 -0.11 -0.13 -0.19 -0.13 -0.06 -0.11 -0.07 0.02 0.16 0.00 0.04 -0.08 -0.16 0.26 -0.20 0.10 -0.11 -0.26 -0.18 0.01 0.29 0.00 0.08 -0.08 -0.06 0.04 0.04 0.04 0.01 0.11 -0.03 0.00 -0.03 -0.11 0.15 0.20 -0.13 -0.14 0.08 0.05 0.05 0.00 0.02 0.00 0.02 0.01 -0.04 -0.03 -0.07 0.00 -0.08 -0.02 -0.00 -0.14 0.14 0.18 -0.03 0.06 0.02 0.02 0.01 -0.05 0.05 -0.01 0.03 -0.02 -0.02 0.03 -0.04 -0.03 0.03 -0.01 0.02 0.04 -0.02 0.07 -0.07 -0.06 0.25 -0.24 -0.02 0.01 -0.09 -0.27 0.01 0.09 -0.07 -0.01 0.02 0.13 -0.02 0.03 -0.05 -0.14 0.20 -0.14 0.02 -0.13 -0.17 -0.07 0.02 0.18 -0.03 -0.07 0.29 0.03 0.02 -0.00 -0.03 0.06 -0.15 0.03 -0.02 0.01 0.11 -0.21 -0.34 0.07 0.43 -0.10 -0.02 -0.02 -0.02 -0.01 -0.02 -0.01 0.05 -0.05 0.01 0.01 -0.01 -0.03 0.11 0.01 0.13 -0.14 -0.17 0.02 -0.03 -0.04 -0.01 -0.01 0.03 -0.03 0.02 0.03 -0.03 0.04 0.07 0.06 -0.04 0.15 -0.11 -0.04 -0.08 -0.07 0.02 0.00 -0.03 -0.02 -0.08 0.04 0.08 0.01 -0.10 0.08 0.09 0.05 -0.03 -0.05 0.03 0.04 -0.03 -0.02 0.05 -0.01 -0.02 0.02 -0.01 0.01 -0.06 -0.05 0.05 0.00 -0.13 0.08 -0.15 -0.16 -0.05 0.25 -0.18 -0.08 -0.21 0.12 -0.05 -0.02 -0.17 0.05 -0.26 -0.18 -0.05 0.09 0.16 0.07 -0.01 0.13 0.01 -0.39 0.28 -0.03 -0.07 0.11 0.20 -0.00 0.19 0.10 0.03 0.10 0.08 0.07 0.24 0.03 -0.01 -0.13 0.09 -0.05 0.07 -0.05 0.02 0.09 0.15 -0.11 0.26 -0.21 -0.10 -0.20 -0.15 0.02 -0.12 0.04 0.02 -0.43 0.21 -0.06 -0.15 -0.30 0.04 0.11 0.14 0.06 0.04 0.03 -0.04 0.04 -0.04 -0.10 0.13 -0.10 -0.05 -0.11 -0.10 0.14 0.09 -0.11 0.10 0.01 -0.10 0.04 -0.06 -0.03 -0.01 0.01 0.02 0.02 -0.07 0.02 -0.05 0.00 0.01 0.08 -0.14 -0.01 -0.04 0.04 0.02 -0.10 -0.01 0.03 0.06 -0.16 0.00 0.07 0.03 -0.08 -0.05 -0.01 -0.10 -0.02 0.16 0.00 -0.27 -0.04 0.02 -0.05 0.03 -0.15 -0.03 0.05 -0.03 -0.05 0.02 0.05 -0.02 0.08 -0.08 -0.03 -0.06 -0.07 0.01 -0.09 0.06 0.06 -0.23 0.12 -0.03 -0.10 -0.14 -0.04 0.02 0.05 0.10 0.04 -0.01 -0.02 0.03 -0.02 -0.08 0.08 -0.06 -0.03 -0.09 -0.07 0.16 0.07 -0.10 -0.10 -0.02 -0.03 -0.02 0.03 0.01 -0.06 -0.05 0.05 -0.01 0.11 -0.02 0.09 0.06 0.14 -0.07 -0.11 0.04 -0.01 -0.13 -0.05 0.16 0.02 -0.05 -0.14 0.33 0.01 -0.04 -0.06 0.23 -0.06 -0.03 0.14 -0.00 -0.29 -0.03 0.49 0.07 -0.04 0.05 -0.00 0.29 0.14 0.17 -0.07 -0.11 0.16 0.05 0.01 0.24 -0.05 0.16 0.14 -0.08 -0.09 -0.03 0.02 -0.24 -0.09 0.10 0.26 0.04 -0.11 -0.01 0.20 0.04 -0.15 -0.23 0.09 0.24 -0.10 -0.07 0.34 -0.11 -0.04 0.17 0.02 0.07 -0.31 -0.24 0.25 -0.01 0.03 -0.04 0.01 0.06 0.01 -0.04 0.01 0.01 0.03 -0.00 0.01 -0.02 0.08 0.02 0.03 0.03 0.02 -0.05 -0.05 -0.02 0.01 -0.02 -0.01 0.05 -0.01 0.01 -0.02 -0.03 -0.02 -0.03 -0.03 0.03 -0.05 -0.10 -0.02 0.06 -0.04 -0.01 -0.02 0.05 0.05 0.00 -0.04 0.01 0.08 0.01 0.01 -0.05 0.01 0.02 -0.01 -0.03 0.02 -0.01 0.04 -0.06 -0.02 0.04 -0.05 -0.04 0.03 -0.00 0.13 0.04 -0.01 -0.08 -0.01 0.03 -0.01 -0.00 0.00 0.01 0.00 0.01 0.00 0.05 0.01 -0.10 -0.01 0.06 0.27 0.02 0.07 0.02 -0.12 -0.06 -0.14 0.16 0.06 -0.04 -0.02 -0.06 0.00 0.02 0.17 -0.17 -0.27 -0.03 -0.06 -0.01 -0.04 -0.02 -0.01 -0.04 -0.34 0.27 -0.02 0.10 -0.10 0.33 0.05 0.05 0.15 -0.04 -0.21 -0.02 0.36 0.05 -0.03 -0.13 -0.06 0.32 -0.04 0.09 -0.09 0.02 -0.00 -0.11 -0.09 -0.17 0.26 0.20 0.48 0.05 -0.10 -0.07 0.10 -0.04 0.02 0.02 -0.14 -0.08 0.15 -0.27 -0.09 -0.10 0.06 0.00 0.06 0.01 -0.03 -0.01 0.22 0.00 0.01 -0.20 -0.19 0.19 0.20 0.09 -0.19 -0.02 -0.01 0.03 0.01 -0.07 -0.04 -0.03 0.06 -0.01 0.02 -0.02 -0.02 0.06 -0.05 0.05 -0.07 -0.14 -0.02 0.05 0.04 0.04 0.03 0.01 0.02 -0.12 0.05 -0.01 0.09 -0.04 0.13 0.07 -0.00 -0.06 0.04 0.16 0.03 -0.12 0.05 0.02 0.09 -0.04 -0.13 -0.02 0.03 -0.01 0.07 -0.00 -0.02 -0.10 0.04 0.06 -0.01 0.10 0.01 -0.05 0.00 0.03 0.08 -0.14 0.08 -0.37 -0.07 -0.04 0.24 0.02 -0.02 0.07 0.05 -0.06 -0.01 -0.04 -0.01 0.05 -0.14 0.05 -0.08 -0.02 0.08 -0.39 -0.20 0.70 0.00 -0.00 -0.01 0.00 0.01 0.00 0.01 -0.02 -0.00 -0.01 0.01 0.00 -0.02 0.02 0.00 0.01 0.01 0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.02 -0.01 -0.00 -0.01 0.01 -0.02 -0.02 -0.01 0.00 -0.01 -0.02 -0.01 0.02 -0.01 -0.00 -0.02 0.01 0.03 -0.04 -0.03 -0.04 -0.01 -0.01 0.06 -0.23 -0.16 0.31 0.37 0.18 0.02 0.06 0.02 -0.01 0.05 -0.12 0.08 0.10 0.03 -0.16 0.07 -0.08 0.11 -0.02 -0.00 0.00 -0.04 0.04 -0.06 0.42 -0.00 0.04 -0.26 0.18 0.29 0.08 -0.03 -0.07 0.02 0.00 -0.02 -0.00 0.00 0.03 0.02 -0.02 0.02 -0.02 0.00 0.03 -0.05 -0.04 -0.09 0.10 0.09 0.01 -0.01 0.01 -0.04 -0.03 0.01 -0.02 0.12 -0.08 0.01 -0.04 0.07 -0.12 0.01 0.08 0.13 -0.00 -0.18 -0.02 0.13 -0.05 -0.02 -0.07 -0.01 0.12 -0.01 -0.04 0.01 -0.02 -0.00 0.06 -0.09 -0.04 0.09 0.16 -0.04 -0.00 0.06 0.03 -0.03 0.06 -0.07 0.04 0.10 0.04 -0.15 0.13 -0.00 0.09 -0.02 -0.01 -0.02 -0.02 0.03 -0.03 0.18 -0.02 0.03 -0.08 0.17 0.11 -0.06 -0.08 0.10 -0.03 -0.00 0.04 0.01 0.05 -0.04 -0.03 0.01 -0.05 0.04 0.01 -0.05 0.13 0.14 0.22 -0.22 -0.16 0.00 -0.02 -0.06 0.08 0.04 -0.03 0.04 -0.23 0.17 -0.03 0.05 -0.14 0.23 -0.07 -0.22 -0.30 -0.03 0.36 0.03 -0.26 0.10 0.05 0.12 0.04 -0.23 0.00 -0.02 0.02 -0.01 0.01 0.03 -0.00 0.01 -0.01 0.01 -0.08 -0.01 0.02 0.02 -0.01 0.03 -0.04 0.02 0.01 0.01 -0.07 0.05 0.02 0.03 -0.00 0.00 -0.02 0.00 0.00 -0.01 0.02 -0.02 0.01 0.02 0.07 -0.00 -0.07 -0.06 0.11 -0.06 0.02 -0.02 -0.13 -0.07 -0.02 -0.05 0.01 0.02 0.10 -0.20 0.06 -0.35 -0.07 -0.18 -0.11 0.07 -0.05 -0.06 0.17 0.03 0.21 0.07 -0.08 -0.01 -0.06 0.08 0.03 -0.37 0.23 -0.19 0.31 0.26 -0.15 -0.02 0.07 0.03 0.01 -0.09 0.25 0.21 -0.25 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.02 0.02 -0.00 0.00 -0.02 -0.04 -0.02 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.05 0.04 -0.01 0.12 -0.01 0.01 -0.03 -0.03 -0.04 -0.07 -0.03 -0.19 -0.24 0.30 0.32 0.05 -0.02 0.02 0.12 -0.02 -0.04 -0.09 0.12 0.34 -0.03 -0.13 -0.22 0.10 -0.12 -0.09 -0.18 0.06 0.33 0.07 0.22 0.31 -0.05 -0.07 -0.29 0.18 -0.00 0.04 -0.05 0.03 -0.02 -0.03 0.01 -0.06 0.06 -0.02 0.23 0.02 -0.02 -0.00 0.00 -0.13 0.00 0.03 -0.02 -0.01 0.05 0.11 -0.13 0.05 0.00 0.01 0.03 -0.01 -0.02 0.04 -0.10 0.09 -0.02 -0.03 -0.23 -0.02 0.07 0.16 -0.20 0.06 0.01 0.03 0.03 0.18 0.00 0.17 -0.10 -0.02 0.05 -0.11 -0.03 -0.10 0.35 0.19 -0.23 0.02 0.04 -0.15 0.01 -0.02 -0.07 -0.02 -0.03 -0.20 0.10 0.00 0.01 -0.29 0.23 -0.20 0.07 0.08 -0.22 -0.09 0.01 0.09 0.02 -0.02 -0.16 0.17 0.16 -0.00 0.02 -0.01 0.05 -0.01 -0.02 -0.09 0.05 0.04 0.01 0.06 0.00 -0.02 -0.01 -0.01 -0.04 0.06 -0.04 -0.16 -0.04 0.15 0.05 0.05 -0.05 -0.02 0.00 0.05 -0.00 -0.01 0.00 0.04 0.02 -0.01 -0.05 -0.08 0.04 0.09 0.08 -0.15 0.20 -0.04 -0.01 -0.12 0.03 0.04 -0.01 -0.02 -0.03 -0.07 0.08 0.05 -0.29 -0.01 -0.16 0.01 0.25 -0.01 -0.07 -0.15 0.01 0.14 0.07 0.01 0.16 -0.12 0.02 -0.30 0.03 -0.24 -0.30 -0.19 -0.18 -0.12 0.15 -0.02 -0.18 0.07 0.00 0.21 0.17 -0.25 -0.03 0.04 0.06 0.01 -0.02 -0.00 -0.19 0.25 -0.03 0.02 -0.23 -0.04 0.03 -0.10 0.01 0.19 0.27 -0.25 -0.11 -0.13 0.48 -0.18 0.28 -0.22 -0.00 -0.03 -0.00 -0.00 0.06 -0.07 0.20 -0.03 -0.00 -0.06 0.26 0.09 0.03 -0.09 0.04 -0.01 0.02 0.01 -0.02 0.00 0.00 0.05 -0.00 -0.00 0.05 -0.03 -0.00 -0.09 0.01 -0.03 -0.06 0.04 -0.01 -0.01 -0.02 -0.01 -0.05 0.02 -0.00 -0.01 0.08 0.01 0.11 -0.03 0.10 0.00 -0.04 -0.04 0.02 -0.00 -0.01 0.05 0.07 0.01 -0.10 0.11 0.11 0.01 -0.02 -0.02 -0.01 0.01 -0.00 0.06 -0.11 0.02 -0.01 0.09 0.03 -0.01 0.04 -0.00 -0.08 -0.11 0.10 0.03 0.05 -0.19 0.06 -0.12 0.09 0.00 0.01 -0.00 0.01 -0.02 0.03 -0.07 0.02 -0.01 0.05 -0.10 -0.05 -0.02 0.04 -0.02 -0.03 0.05 -0.01 -0.12 -0.09 -0.01 0.05 0.03 -0.00 0.13 -0.02 0.02 -0.30 -0.12 -0.21 -0.11 0.13 -0.06 0.04 -0.13 -0.01 -0.09 0.10 0.02 0.09 0.18 0.05 0.34 0.09 0.18 0.12 -0.23 -0.20 0.19 0.03 -0.06 0.06 0.23 0.04 -0.18 0.35 0.20 -0.10 -0.00 -0.02 0.04 -0.01 0.01 -0.14 -0.08 0.11 -0.05 0.20 0.06 0.02 -0.09 -0.00 -0.34 0.15 -0.03 0.46 0.01 0.24 0.29 -0.07 0.07 0.01 -0.04 -0.05 0.04 0.09 0.04 -0.04 0.40 -0.11 0.11 -0.07 -0.12 -0.37 0.12 0.13 -0.01 0.01 -0.01 -0.00 -0.02 -0.00 -0.01 0.01 -0.00 -0.01 0.01 0.00 0.02 -0.04 -0.02 0.04 -0.02 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.02 -0.01 0.00 -0.01 0.02 -0.02 -0.01 -0.01 -0.01 0.00 0.01 0.00 -0.01 0.00 -0.00 0.02 -0.01 -0.02 -0.17 -0.18 0.07 -0.03 0.09 -0.03 -0.44 -0.03 0.17 -0.25 -0.05 0.14 -0.06 0.07 0.02 0.01 -0.09 0.09 -0.25 0.03 -0.19 -0.15 0.26 -0.15 0.06 0.05 0.01 0.21 -0.05 -0.05 0.29 0.18 -0.14 0.34 -0.01 -0.17 0.11 0.10 -0.10 0.01 -0.00 0.01 0.01 0.02 0.00 0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.03 0.02 0.02 0.02 -0.01 0.01 -0.02 0.01 0.00 -0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.02 -0.02 0.00 -0.03 0.01 0.01 -0.03 0.00 0.01 0.01 -0.01 -0.00 -0.01 -0.02 0.01 -0.06 0.05 0.02 0.04 -0.05 -0.06 0.10 -0.03 -0.06 -0.40 0.28 0.11 0.02 0.01 0.07 0.12 -0.20 0.16 -0.11 -0.03 -0.08 0.22 -0.23 0.07 -0.04 -0.08 0.01 0.01 0.08 -0.03 -0.05 -0.09 0.02 0.23 0.52 -0.11 0.26 -0.27 -0.07 0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.01 0.00 -0.02 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.03 -0.00 -0.00 -0.02 0.02 0.00 0.01 0.01 -0.01 -0.03 0.11 0.02 -0.03 -0.11 0.06 -0.19 0.19 0.07 -0.13 0.07 0.01 0.06 0.03 -0.07 0.14 0.09 -0.13 -0.37 -0.06 0.19 0.55 -0.16 0.18 -0.05 0.05 0.03 0.08 -0.08 -0.03 0.06 -0.08 -0.03 0.00 -0.23 0.01 -0.02 0.27 -0.25 -0.05 0.02 -0.00 -0.01 -0.03 -0.02 -0.02 0.00 -0.00 0.02 0.02 0.01 0.01 -0.02 0.00 0.05 -0.08 -0.01 0.00 0.02 0.02 0.00 -0.03 -0.01 0.07 0.03 0.01 0.07 0.08 -0.01 0.01 0.01 -0.00 0.03 0.02 0.01 0.03 -0.06 -0.01 0.01 -0.10 0.01 0.05 -0.08 -0.02 -0.02 0.09 -0.07 0.10 -0.10 -0.03 0.12 -0.06 -0.01 -0.04 -0.02 0.04 -0.01 0.01 0.01 -0.15 -0.04 0.10 0.74 0.39 -0.15 -0.00 -0.03 0.05 -0.06 0.03 0.03 0.03 0.15 -0.01 -0.07 -0.00 0.02 0.22 -0.09 -0.10 -0.03 0.00 -0.00 -0.02 -0.00 -0.03 -0.00 -0.01 -0.01 0.03 0.02 0.02 -0.08 0.05 0.01 0.07 -0.11 -0.01 -0.01 0.01 0.03 -0.01 -0.03 -0.02 0.11 0.04 0.02 0.07 0.08 -0.02 -0.05 0.01 -0.01 0.03 0.04 0.02 0.07 -0.04 -0.02 -0.01 -0.12 0.03 -0.02 0.01 -0.01 0.02 -0.01 0.01 0.02 -0.02 -0.01 -0.04 0.05 0.01 0.00 0.00 0.00 -0.01 -0.02 0.02 0.08 0.02 -0.05 -0.35 -0.11 0.02 0.01 -0.01 -0.02 0.01 0.01 -0.00 -0.03 -0.03 0.01 0.04 0.06 -0.02 -0.03 -0.04 0.06 0.02 -0.03 0.05 -0.06 0.02 -0.09 -0.01 -0.00 -0.05 0.07 0.07 0.09 -0.27 0.23 0.08 -0.10 -0.17 -0.05 -0.03 0.03 0.10 -0.01 -0.08 -0.09 0.29 0.01 0.07 0.18 0.28 -0.11 -0.27 0.01 -0.05 0.22 0.12 0.04 0.25 -0.27 -0.10 -0.05 -0.28 0.13 -0.00 0.00 0.00 -0.01 -0.00 0.01 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.07 0.02 -0.03 0.02 0.00 -0.01 0.07 0.01 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.02 -0.00 -0.01 0.02 -0.01 -0.02 -0.03 0.04 0.06 0.02 -0.05 -0.03 0.02 -0.05 -0.08 -0.09 0.07 0.03 0.16 0.15 0.23 -0.32 0.03 0.05 -0.03 0.05 -0.01 0.12 -0.07 -0.02 -0.29 0.04 -0.33 -0.21 -0.13 -0.09 -0.07 -0.11 0.44 0.05 -0.03 0.18 0.16 -0.06 -0.12 0.37 0.16 0.03 -0.01 0.01 -0.01 -0.01 -0.02 -0.03 0.04 -0.01 0.01 -0.04 0.00 -0.04 -0.01 0.03 0.18 0.03 -0.06 0.22 0.05 -0.11 -0.02 -0.03 -0.01 -0.00 0.02 0.00 -0.00 -0.01 -0.01 -0.04 -0.14 0.04 -0.02 -0.00 0.02 -0.04 0.06 -0.00 -0.07 0.18 0.04 0.04 -0.14 -0.04 0.20 0.11 0.03 -0.05 0.02 0.02 0.38 -0.28 0.00 0.22 -0.22 -0.02 -0.15 -0.08 0.01 0.05 -0.02 -0.04 0.02 -0.12 -0.00 -0.00 0.10 -0.07 -0.51 0.00 0.00 -0.25 0.08 0.01 0.03 -0.14 -0.05 0.02 0.07 -0.01 0.01 -0.02 0.01 0.02 -0.01 -0.01 -0.02 0.03 -0.01 -0.16 0.06 0.05 -0.07 -0.04 0.09 0.56 0.09 -0.16 0.52 0.09 -0.19 0.18 0.05 -0.02 -0.03 0.06 -0.01 0.00 -0.03 -0.04 0.00 -0.22 0.04 -0.04 0.01 0.03 -0.17 0.24 -0.09 0.02 -0.03 -0.00 -0.01 0.03 -0.00 -0.02 -0.02 0.00 0.01 -0.00 0.00 -0.17 0.10 -0.01 0.04 -0.02 0.01 0.02 0.01 -0.02 -0.01 0.00 0.01 0.08 0.08 0.01 0.01 -0.01 0.01 0.11 -0.00 0.01 -0.09 0.00 0.01 -0.03 0.11 0.02 0.01 -0.09 -0.01 0.01 -0.00 0.03 0.01 -0.00 -0.03 0.02 0.04 -0.03 -0.09 -0.02 0.02 -0.01 -0.01 0.03 -0.01 -0.03 0.05 0.12 0.02 -0.02 0.12 0.03 -0.04 -0.01 0.02 0.01 -0.01 -0.01 -0.03 0.07 -0.05 -0.00 -0.07 -0.00 0.05 -0.07 0.12 -0.05 0.02 -0.01 -0.05 -0.00 0.01 0.06 -0.02 -0.00 -0.03 0.01 0.01 -0.01 0.27 -0.18 -0.04 -0.38 0.30 -0.01 0.00 0.01 0.05 -0.00 0.00 -0.00 -0.29 -0.19 -0.03 0.09 0.06 0.03 -0.24 0.05 0.00 0.44 -0.06 -0.03 0.08 -0.37 -0.04 -0.03 0.14 0.02 -0.03 -0.01 -0.10 -0.01 0.02 0.10 -0.09 -0.14 0.10 0.24 0.20 -0.04 -0.04 -0.00 -0.02 0.60 0.16 -0.30 -0.16 -0.03 0.01 -0.03 0.08 0.07 -0.02 -0.04 -0.06 0.03 0.02 0.11 -0.24 0.11 0.02 0.24 -0.00 -0.16 0.14 -0.23 0.01 0.01 0.00 -0.02 0.00 -0.00 0.02 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.08 -0.07 -0.02 -0.10 0.10 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.10 -0.05 -0.02 0.02 0.01 0.01 -0.07 0.01 0.00 0.12 -0.02 -0.01 0.01 -0.12 -0.01 -0.00 0.05 -0.00 0.01 -0.01 -0.02 0.01 0.01 -0.00 -0.02 -0.02 0.01 -0.00 0.05 0.00 0.01 -0.01 0.02 0.00 -0.02 0.03 -0.01 -0.02 0.05 -0.02 0.04 -0.03 -0.01 0.01 0.00 -0.00 -0.01 0.00 -0.06 -0.10 0.03 0.04 0.07 -0.02 -0.04 0.06 -0.03 0.02 -0.01 -0.02 -0.07 -0.01 -0.04 0.01 -0.01 0.02 0.05 0.06 0.03 0.38 -0.18 0.03 -0.10 -0.01 -0.04 -0.03 0.05 0.04 -0.01 -0.07 -0.03 0.20 0.11 0.04 -0.38 -0.27 -0.08 0.47 -0.11 -0.05 -0.11 0.09 0.05 0.06 -0.11 -0.03 -0.11 0.41 0.11 0.02 0.05 0.07 0.02 -0.08 -0.02 -0.10 0.26 -0.03 -0.09 -0.15 0.01 -0.10 0.04 -0.03 0.12 0.06 -0.11 0.15 0.10 -0.29 0.05 -0.14 0.01 0.03 -0.05 -0.01 -0.00 0.04 0.02 0.23 0.49 -0.13 -0.19 -0.32 0.10 0.29 -0.33 0.08 0.01 -0.00 -0.01 -0.02 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.01 0.01 0.07 -0.03 0.00 -0.04 0.01 -0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.01 0.04 0.02 0.01 -0.07 -0.05 -0.01 0.09 -0.02 -0.01 -0.02 0.02 0.01 0.01 -0.02 -0.01 -0.02 0.07 0.02 -0.06 -0.01 0.03 -0.03 0.07 0.08 0.58 -0.44 -0.15 -0.25 0.12 0.10 -0.04 -0.04 -0.08 -0.02 0.22 -0.25 -0.00 -0.03 0.07 0.04 -0.10 0.20 0.05 0.03 0.04 0.02 0.01 -0.08 0.17 -0.11 -0.01 -0.15 -0.10 0.09 0.14 -0.14 0.16 0.01 0.00 -0.01 -0.01 -0.00 0.00 0.01 0.00 0.00 0.00 0.01 -0.00 0.03 -0.02 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.02 -0.00 -0.03 -0.02 -0.00 -0.01 0.00 0.00 -0.02 -0.00 0.00 -0.00 -0.02 -0.00 -0.01 0.03 0.00 -0.03 0.03 0.04 0.01 0.03 -0.01 0.39 -0.19 -0.14 0.01 -0.07 0.00 0.06 0.03 0.07 0.33 -0.13 0.10 -0.23 -0.04 0.06 -0.11 0.01 -0.02 -0.04 -0.07 -0.08 -0.03 -0.04 0.00 0.28 0.46 -0.16 -0.07 -0.09 0.04 -0.34 0.23 -0.18 0.00 0.01 0.01 0.02 -0.01 -0.00 0.01 0.01 0.01 -0.01 0.00 0.01 -0.04 0.01 -0.00 -0.04 0.01 -0.01 -0.01 -0.01 0.00 0.01 -0.00 -0.01 -0.02 -0.04 -0.00 0.01 0.04 -0.02 0.06 -0.03 -0.02 -0.10 0.04 0.02 0.02 -0.00 -0.01 -0.01 0.05 0.01 0.00 0.00 0.00 0.01 -0.00 -0.00 0.02 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.01 0.02 -0.02 0.02 0.01 0.00 -0.01 -0.04 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.01 0.02 -0.01 -0.02 -0.01 0.01 -0.03 0.02 -0.01 -0.00 -0.00 0.03 -0.02 -0.02 0.02 0.01 0.00 -0.02 0.01 0.04 -0.11 -0.32 0.08 -0.05 0.53 -0.15 0.05 -0.05 0.03 0.00 0.02 -0.05 0.08 -0.03 0.24 -0.09 -0.08 -0.12 0.05 -0.03 0.04 0.03 0.42 -0.17 -0.06 -0.11 -0.35 0.05 0.02 0.32 -0.06 0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.05 0.03 0.02 -0.05 0.03 0.01 -0.00 -0.01 -0.01 -0.04 0.02 -0.01 0.04 0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 0.01 0.00 0.01 -0.00 -0.02 -0.05 0.02 -0.01 -0.00 0.00 0.05 -0.03 0.02 -0.02 0.00 0.00 0.06 -0.02 0.04 0.01 -0.01 0.01 -0.05 0.01 -0.02 -0.35 0.12 -0.05 0.04 0.04 0.03 -0.04 0.00 0.05 0.04 0.00 -0.07 -0.32 -0.24 -0.05 0.22 0.27 -0.03 0.47 -0.18 -0.10 -0.25 0.19 0.07 0.16 -0.25 -0.10 -0.02 0.25 0.00 -0.14 0.04 0.05 0.03 -0.02 -0.06 0.16 -0.14 -0.07 0.54 -0.40 -0.15 -0.02 0.03 0.02 0.05 -0.06 0.06 -0.01 0.03 -0.08 0.12 -0.05 -0.03 -0.01 -0.06 0.01 0.10 0.11 -0.01 -0.32 -0.38 0.12 -0.12 -0.30 0.09 -0.04 0.01 -0.06 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 0.01 -0.00 -0.02 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 -0.00 -0.01 -0.00 -0.00 0.03 -0.01 -0.00 -0.03 0.02 0.01 0.02 -0.03 -0.01 -0.01 0.02 0.01 -0.05 0.06 0.03 -0.00 0.04 -0.05 0.03 0.01 -0.00 0.40 -0.33 -0.14 -0.05 -0.02 -0.02 -0.02 0.12 -0.12 0.07 0.01 -0.06 0.12 -0.37 0.22 0.06 0.02 0.05 -0.05 -0.11 0.02 0.17 0.13 -0.04 0.33 0.48 -0.19 0.01 0.11 0.02 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 -0.00 0.01 0.01 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.03 -0.01 -0.00 -0.01 0.02 0.01 0.02 -0.04 -0.01 -0.01 0.02 0.00 -0.00 0.01 -0.00 0.01 -0.01 0.01 0.01 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 0.00 0.00 -0.02 -0.01 0.06 -0.04 -0.00 0.00 -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 0.03 -0.03 -0.00 -0.09 0.06 0.02 -0.04 -0.00 0.00 0.01 -0.02 -0.03 0.20 -0.07 0.03 0.40 -0.10 0.05 0.15 -0.02 0.01 -0.04 -0.02 -0.02 -0.14 0.01 -0.03 0.17 0.10 0.02 -0.40 0.13 0.05 -0.51 0.19 0.12 0.10 -0.22 -0.04 -0.11 0.31 0.07 -0.07 0.09 -0.03 0.02 -0.15 0.06 0.26 -0.26 -0.01 0.10 -0.01 -0.08 -0.00 0.02 0.00 -0.18 -0.04 0.09 0.22 0.08 -0.13 0.04 0.61 -0.42 -0.02 0.07 0.01 0.00 -0.08 0.01 0.11 0.08 -0.04 0.17 0.14 -0.09 0.14 -0.10 0.07 -0.00 0.01 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.03 0.00 -0.02 -0.05 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.01 0.00 0.03 0.02 0.00 0.00 0.02 -0.00 0.02 -0.01 -0.00 0.04 -0.02 -0.01 -0.02 0.04 0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.01 0.00 -0.01 0.02 -0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 -0.02 -0.00 -0.00 -0.01 -0.02 0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.01 0.03 -0.01 -0.00 -0.07 0.06 0.00 -0.00 -0.02 -0.01 -0.07 -0.07 0.02 0.35 -0.08 0.09 0.22 -0.02 0.03 -0.07 0.03 -0.00 0.06 -0.07 -0.02 0.06 0.01 0.03 0.47 0.42 0.04 0.17 -0.02 -0.00 0.29 -0.09 -0.05 -0.06 0.45 0.04 0.04 0.20 -0.04 0.00 -0.01 0.00 -0.01 0.01 -0.01 -0.04 0.02 0.02 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.02 -0.00 0.02 0.03 -0.04 0.03 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 -0.02 0.01 0.00 -0.01 -0.00 0.03 -0.02 0.01 -0.02 0.00 -0.01 0.11 -0.04 -0.01 -0.02 0.01 -0.00 -0.09 -0.01 -0.00 -0.22 0.11 -0.02 -0.42 0.13 -0.05 0.06 0.01 -0.00 0.03 -0.10 0.02 0.36 0.32 0.03 0.02 0.14 -0.07 -0.27 0.13 0.08 -0.06 0.03 0.02 -0.10 0.11 0.04 -0.07 0.54 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 -0.01 0.00 0.02 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.03 0.02 -0.00 0.01 -0.00 0.09 0.11 0.02 -0.20 0.03 -0.03 0.07 0.02 0.01 0.02 0.03 -0.01 -0.00 -0.13 -0.03 -0.48 -0.43 -0.04 -0.17 -0.08 -0.06 -0.19 0.09 0.02 0.02 -0.09 -0.00 -0.11 0.59 0.05 -0.08 0.13 0.10 -0.01 0.01 0.01 -0.00 0.06 -0.05 -0.01 -0.07 0.11 0.01 -0.18 -0.06 0.03 -0.04 0.01 0.12 -0.38 0.19 0.27 0.00 0.49 -0.01 -0.19 0.10 -0.13 0.14 -0.07 0.03 -0.04 0.02 0.12 0.03 0.00 0.05 -0.23 -0.07 0.32 -0.38 0.13 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.00 0.01 0.03 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.01 -0.00 0.01 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.02 0.01 0.00 0.00 -0.00 0.02 -0.01 0.01 -0.01 -0.06 -0.13 -0.04 -0.13 0.04 -0.02 -0.06 -0.04 0.01 -0.00 -0.01 -0.16 0.14 0.03 -0.04 0.06 -0.19 0.13 0.21 0.58 0.18 0.58 -0.12 -0.20 -0.02 -0.01 -0.05 -0.04 0.18 0.04 0.05 -0.03 0.00 0.01 -0.00 -0.09 -0.39 0.56 -0.37 -0.44 -0.18 -0.00 -0.00 0.01 -0.00 0.05 -0.02 -0.04 -0.01 -0.06 0.00 -0.00 0.01 0.01 -0.01 0.00 0.02 -0.01 -0.01 -0.24 0.10 -0.09 -0.10 0.14 0.20 -0.03 0.02 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.02 0.01 0.03 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 0.03 0.01 0.03 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.03 0.02 0.02 0.01 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.00 -0.00 -0.02 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.02 -0.06 -0.03 -0.00 -0.00 -0.00 -0.02 0.03 -0.02 0.04 0.26 0.51 0.20 0.52 -0.14 -0.00 -0.02 -0.01 -0.01 0.00 -0.00 0.21 -0.25 -0.05 0.05 -0.11 0.30 0.04 0.08 0.22 0.05 0.23 -0.04 -0.01 -0.02 -0.01 -0.02 0.00 0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.03 -0.01 0.00 0.00 -0.00 0.03 -0.02 0.03 0.01 0.08 0.16 0.04 0.16 -0.05 -0.01 -0.01 -0.01 -0.06 -0.02 0.04 -0.24 0.27 0.06 -0.10 0.08 -0.35 0.00 0.03 0.09 0.04 0.08 -0.02 0.55 0.12 0.05 0.14 0.07 -0.54 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.03 0.01 0.01 0.01 0.03 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 0.01 0.01 -0.01 -0.02 -0.01 0.01 -0.00 0.01 -0.00 0.00 0.01 0.04 0.02 0.00 -0.00 -0.00 -0.03 0.05 -0.03 -0.04 -0.14 -0.30 -0.12 -0.29 0.08 -0.00 -0.02 -0.01 -0.04 -0.02 0.02 0.29 -0.35 -0.07 0.06 -0.13 0.43 0.02 0.07 0.18 0.05 0.18 -0.04 0.36 0.09 0.03 0.07 0.08 -0.35 -0.02 -0.03 0.02 0.00 0.01 -0.01 0.04 0.14 -0.23 0.17 0.16 0.07 0.01 -0.02 0.01 -0.03 0.04 -0.01 0.02 -0.02 -0.02 0.01 -0.03 0.02 -0.02 0.05 -0.01 0.07 -0.08 -0.02 -0.51 0.29 -0.26 -0.24 0.31 0.51 0.08 -0.06 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 -0.01 -0.02 -0.01 -0.02 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.02 0.00 0.00 0.01 0.00 0.01 -0.00 0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 0.03 -0.03 -0.00 0.01 0.01 0.02 -0.04 -0.01 0.10 -0.08 0.12 -0.26 0.59 -0.16 -0.21 -0.16 -0.58 -0.00 -0.07 0.02 -0.10 0.06 -0.05 0.01 -0.01 0.01 0.11 -0.02 0.04 0.04 -0.17 -0.09 0.09 -0.18 0.04 0.01 -0.01 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.05 -0.02 -0.05 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.08 0.01 -0.02 0.05 -0.08 -0.00 -0.00 -0.02 -0.01 -0.02 -0.01 0.01 0.02 0.06 -0.02 0.01 -0.01 -0.03 -0.14 -0.02 -0.02 -0.00 0.00 0.02 -0.01 -0.00 -0.00 0.02 -0.01 0.01 -0.01 -0.01 -0.01 0.05 0.01 -0.04 0.10 0.64 0.18 0.03 -0.08 -0.02 -0.28 -0.56 -0.16 0.00 0.01 0.00 0.10 -0.12 -0.04 0.06 -0.12 0.01 0.07 0.01 -0.00 0.00 -0.00 0.00 -0.02 -0.00 0.00 -0.04 -0.02 -0.03 0.10 0.02 0.06 0.04 0.06 -0.02 -0.01 0.00 0.00 -0.00 -0.01 0.01 -0.05 -0.05 -0.03 -0.00 -0.00 0.00 0.56 0.59 0.55 -0.01 0.06 -0.17 0.00 0.00 0.00 -0.00 -0.01 -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 -0.01 -0.02 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.05 -0.05 0.00 0.00 0.00 -0.00 0.01 0.00 0.19 0.40 -0.26 -0.01 0.17 0.84 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.05 -0.06 -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 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.04 -0.03 0.04 0.01 -0.03 -0.00 -0.00 0.03 0.06 -0.06 -0.04 0.09 0.38 -0.19 0.10 0.04 0.53 0.01 -0.06 0.52 -0.45 -0.06 -0.16 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.02 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.03 -0.04 -0.03 -0.01 0.04 0.00 -0.00 -0.01 -0.06 0.06 0.04 0.06 0.28 -0.14 0.12 0.06 0.62 -0.00 0.06 -0.58 0.33 0.04 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 -0.01 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 0.00 -0.00 -0.03 0.04 -0.05 0.05 0.11 -0.06 -0.00 -0.03 -0.13 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.09 0.81 0.32 -0.35 -0.21 -0.01 -0.02 0.01 -0.00 0.00 -0.00 0.00 0.02 -0.15 -0.04 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.04 -0.04 -0.05 -0.14 0.35 0.85 -0.27 0.09 -0.24 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 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.00 0.03 0.00 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.02 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 -0.05 0.07 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.32 0.67 -0.40 0.00 -0.11 -0.46 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.08 -0.14 0.15 0.08 0.01 0.02 -0.01 -0.00 -0.00 -0.02 -0.00 -0.00 0.05 0.03 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 -0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -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 0.01 -0.00 -0.01 -0.03 0.02 0.00 0.00 0.01 -0.01 -0.05 0.06 -0.03 -0.00 -0.03 -0.00 -0.00 0.05 0.04 -0.05 -0.03 0.16 0.68 -0.32 -0.08 -0.05 -0.42 -0.00 -0.02 0.18 0.39 0.05 0.13 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 -0.00 0.01 -0.01 -0.03 0.00 -0.07 0.21 0.44 0.74 0.10 -0.44 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 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 -0.00 0.00 0.00 -0.01 -0.02 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 0.01 -0.01 -0.00 0.00 0.02 -0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.02 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 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 0.02 0.01 0.01 -0.01 0.00 -0.01 -0.04 0.00 0.02 -0.04 -0.05 -0.00 -0.06 -0.00 0.01 -0.12 0.23 -0.25 -0.14 -0.06 -0.28 0.13 0.06 0.03 0.29 -0.01 -0.05 0.48 0.61 0.08 0.20 0.00 -0.00 0.00 -0.00 -0.00 -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 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.04 -0.04 -0.07 -0.03 -0.07 0.04 0.00 0.03 0.12 0.00 0.01 -0.01 -0.02 0.00 -0.03 0.01 -0.07 0.54 -0.46 0.49 0.27 -0.02 -0.09 0.04 0.02 0.01 0.09 -0.00 -0.03 0.29 0.20 0.03 0.07 -0.01 0.02 -0.08 -0.00 0.00 0.01 0.08 0.09 0.07 0.04 -0.30 0.83 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.01 -0.05 -0.08 -0.00 -0.00 -0.00 0.02 -0.00 0.03 0.03 -0.06 -0.14 -0.30 0.11 -0.25 0.01 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.04 -0.00 0.00 0.01 0.05 0.05 0.04 0.02 -0.14 0.40 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.04 -0.07 0.00 0.00 0.00 -0.05 0.01 -0.07 -0.06 0.12 0.29 0.63 -0.21 0.50 -0.04 -0.05 -0.04 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -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 -0.07 0.02 0.02 0.01 0.01 -0.04 0.10 -0.00 0.01 0.00 -0.01 -0.02 -0.03 0.03 -0.11 -0.00 -0.11 0.52 0.82 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.02 -0.01 0.01 -0.05 -0.06 -0.05 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -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 -0.07 -0.02 0.07 0.15 0.26 -0.13 0.62 -0.01 -0.00 0.01 0.02 0.03 0.04 0.03 0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.04 0.02 -0.03 -0.36 -0.46 -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 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -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 0.01 0.00 0.00 -0.01 0.02 0.01 -0.06 -0.02 0.07 0.14 0.25 -0.13 0.60 -0.01 -0.02 0.07 0.12 -0.03 -0.04 -0.03 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.04 -0.02 0.03 0.37 0.47 0.38 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 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 6 1 1 6 1 1 1 6 6 1 1 1 6 6 6 6 1 1 6 6 1 1 1 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 6 6 1 1 6 1 1 1 6 6 1 1 1 6 6 6 6 1 1 6 6 1 1 1 1 1 1 12.00000 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 12.00000 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 148.12520 681.40229 2889.96641 3315.04865 0.99999 -0.00486 0.00185 0.00485 0.99997 0.00516 -0.00188 -0.00515 0.99998 asymmetric 1 0.12711 0.02997 0.02613 2.64857 0.62449 0.54441 629403.7 72.98 112.28 156.16 225.32 313.36 330.52 388.59 425.10 496.27 579.37 666.48 694.71 706.03 889.28 925.65 1126.46 1153.21 1173.08 1187.78 1209.60 1306.77 1323.08 1337.24 1348.39 1358.41 1388.02 1427.69 1468.20 1495.52 1526.58 1534.49 1552.20 1616.26 1638.56 1648.83 1661.79 1710.20 1717.60 1751.35 1786.14 1796.11 1817.17 1834.39 1839.97 1899.85 1918.74 1941.26 1943.82 1983.64 2008.49 2082.58 2090.73 2096.23 2104.18 2122.53 2138.81 2150.96 2839.14 4199.66 4355.15 4379.35 4384.46 4389.53 4409.89 4434.00 4451.86 4465.31 4466.78 4479.85 4525.35 4547.04 4592.45 4631.17 4649.76 0.239727 0.250280 0.251224 0.203398 -427.908372 -427.897819 -427.896875 -427.944702 157.053 41.310 100.660 0.000 0.000 0.000 0.889 2.981 40.889 0.889 2.981 30.258 155.276 35.348 29.513 1 0.595 1.977 4.789 2 0.599 1.964 3.940 3 0.606 1.942 3.295 4 0.620 1.895 2.590 5 0.646 1.814 1.977 6 0.652 1.796 1.881 7 0.674 1.728 1.596 8 0.690 1.682 1.443 9 0.723 1.586 1.189 10 0.768 1.464 0.953 11 0.821 1.332 0.757 12 0.839 1.288 0.702 13 0.847 1.271 0.682 14 0.978 0.994 0.420 0.277766e-93 -93.556322 -215.421391 0.513379e+17 16.710438 38.477205 0.792140e+03 2.898802 6.674738 0.100000e+01 0.000000 0.000000 0.708594e+08 7.850397 18.076208 0.914616e+06 5.961239 13.726259 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -1.9532 -2.1555 -0.5266 2.9561 -62.6587 -68.6701 -67.8982 0.9452 1.5312 0.0691 3.7503 -2.2611 -1.4892 0.9452 1.5312 0.0691 -14.5665 -10.0285 -0.8041 -3.7147 -0.2889 -4.9300 -2.0773 -1.0744 -1.5794 -0.2719 -2236.8867 -543.7026 -189.8190 3.7382 31.6304 10.4607 -4.6095 2.2834 0.6427 -457.4344 -407.2542 -121.9430 8.0294 1.7383 -3.2674 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -428.1480995 0. 0. 0. 1.886E-10 9.925E-7 0.2397272 0.2502802 -427.8978193 -427.8968751 -427.9447019 2.7883062,-1.6811087,-1.1071975,-0.7025689,1.1384262,-0.0513327 C01 [X(C11H16)] 0.7684653 -0.8480114 0.2071979 0.1779908 -0.1211201 0.0212529 -0.221665 0.1187292 0.050185 0.1814413 -0.0213266 0.0476584 -1.3927727 0.2122802 0.0308328 0.4177663 -0.2070945 -0.0518812 0.3317891 -0.1537618 -0.0502621 0.0433351 0.1139341 0.019176 -0.0771617 0.0180291 -0.0004086 -0.0242659 0.0373073 0.0043475 0.0417328 -0.0133708 0.0072143 -0.0209829 0.0250635 -0.0519013 -0.0131667 -0.0731959 -0.0720015 0.6648407 -0.2081354 -0.0782443 -0.3066004 0.0585773 -0.0104292 -0.2812155 0.1282766 0.1185823 0.0437281 0.0020931 -0.0410824 0.0734085 0.0051253 0.0730448 0.090075 -0.030268 -0.0434515 0.0856286 -0.0517587 -0.0178664 -0.033842 -0.0469003 -0.0272589 0.0082649 -0.0085684 0.0575584 0.1976973 -0.0202271 0.0037246 -0.0107662 -0.0436882 0.0195804 0.0776727 0.0046105 -0.0240493 -0.6499351 0.2520253 0.1202045 0.2898805 0.0935545 0.0169011 -0.5013785 0.1052089 0.0205678 0.2194947 0.0479356 -0.0036221 0.1994409 0.0140994 -0.0523792 -0.0778163 -0.0694729 0.1620657 0.0048815 -0.0062267 0.0091136 -0.144507 0.0263859 0.045461 0.119224 0.0920285 -0.1034986 -0.0816868 -0.0535779 -0.0508869 -0.0647092 0.0490527 -0.0137471 -0.1116715 -0.0316641 0.0085181 -0.1004133 0.037158 -0.0320107 0.0139234 -0.0052743 0.0368143 0.1189878 0.0061994 0.0670121 0.9751693 0.0411719 -0.0297693 -1.1694124 0.3604617 -0.0204674 0.3108696 -0.0801709 -0.1510643 -0.037517 -0.0174368 -0.0260879 0.1823711 0.2727289 -0.0256452 -0.0224378 -0.0531869 0.2445328 -0.1313882 -0.4063932 0.096333 1.6701307 -0.9957329 -0.0035638 -0.3707941 0.1844455 -0.2434278 0.1408053 0.0193029 -0.0148939 -0.1171191 0.0065003 0.0034259 0.0923898 0.0277027 0.1069178 -0.0201258 0.0991613 0.0347319 0.007771 -0.1113361 -0.0200226 0.0167686 -0.0886437 0.0186265 -0.0392597 -0.0252529 -0.0142037 -0.0713613 0.0028693 0.0347685 0.0123558 0.0962813 -0.1430691 0.376497 -0.0261011 -0.0154608 -0.7276027 0.4667884 -0.0143591 0.1592332 -0.0798091 0.1708923 -0.1168955 0.079601 0.0178676 0.187256 -0.0083469 0.0112474 -0.1262706 0.047544 0.1111915 0.0150897 0.024115 0.0101918 0.0336886 0.022389 -0.0088839 -0.0525243 -0.0536914 -0.1472715 -0.1187458 -0.1061085 0.0305166 -0.0992492 -0.0717254 0.039786 0.0288293 0.058291 0.0396456 0.0005982 0.0381729 0.0109137 0.0813057 -0.1420336 -0.0380651 0.0675117 -0.0916871 0.0447965 -0.0770482 0.043333 -0.0385362 -0.0240416 0.0517016 0.0077423 -0.0775566 0.0769878 -0.1300773 0.0510874 -0.0084447 -0.0148613 -0.0127175 -0.003347 -0.0092968 0.0650851 -0.028083 -0.157139 -0.2727883 0.0538696 -0.0345473 -0.0552043 0.0434233 0.0093526 -0.0214002 -0.0013538 0.0423987 195.9635162|-17.7416441|117.3137314|-0.1436907|-2.8181807|89.7622119 0.000000619 -0.000000548 -0.000000970 -0.000000100 -0.000000438 0.000000042 0.000001024 -0.000000702 -0.000001260 0.000000904 0.000000039 -0.000001202 -0.000000575 -0.000001445 0.000000442 -0.000000418 -0.000001890 0.000000150 -0.000001132 -0.000001341 0.000001164 -0.000000270 0.000000255 0.000000434 -0.000000405 -0.000001573 0.000000069 0.000000361 -0.000001668 -0.000000960 0.000000491 -0.000002414 -0.000001217 0.000000596 -0.000001661 -0.000001178 -0.000000582 -0.000001429 0.000000481 -0.000000075 0.000000243 0.000000157 -0.000000545 0.000000820 0.000001011 0.000000471 0.000000292 -0.000000676 -0.000000483 0.000001241 0.000000937 -0.000001066 0.000000298 0.000001492 -0.000000581 0.000001536 0.000001145 0.000000684 0.000000789 -0.000000708 0.000000152 0.000001607 0.000000107 -0.000000696 0.000000483 0.000001045 -0.000000802 0.000001797 0.000001502 0.000001205 0.000001218 -0.000001331 0.000000604 0.000000214 -0.000000780 0.000000391 0.000002358 0.000000005 0.000000228 0.000001918 0.000000096 132.1177 AuxInfo=1/0/N:1;2;5;9;10;14;15;16;17;20;21;3;4;6;7;8;11;12;13;18;19;22;23;24;25;26;27/rA:27nC0C0H0H0C0H0H0H0C0C0H0H0H0C0C0C0C0H0H0C0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.8994,1.0934,.4943;1.3463,-.3412,.4595;1.2121,1.7398,-.0987;1.9425,1.4751,1.5228;1.8153,-1.0639,-.802;1.5484,-.5352,-1.7271;1.5784,-2.1307,-.8205;1.2267,-.9198,1.3792;3.0107,-.673,-.0859;3.2944,.8011,-.0935;3.4759,1.2231,-1.0957;4.1262,1.0829,.564;3.5877,-1.3963,.4939;-.5292,-.0958,.1301;-1.3046,-1.3408,.3764;-.8832,1.0627,-.2171;-2.7384,-1.0541,-.13;-.8867,-2.2208,-.1419;-1.3089,-1.5878,1.4542;-2.3149,1.4595,-.398;-3.2213,.3625,.2101;-2.7536,-1.181,-1.2264;-3.4336,-1.8015,.2847;-2.5458,2.4388,.0525;-2.5209,1.5752,-1.4769;-3.2331,.4816,1.3077;-4.2614,.4939,-.1318;