Gaussian 16 GINC-BERON203 GRUFOR coments ES64L-G16RevC.02 25-Sep-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 42 42 100 101 465 (5D, 7F) def2SVP 120 120 C1[X(C20H15BIN4O)] C1[X(C20H15BIN4O)] UwB97XD def2SVP FOpt #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 449.9556699999999 0 2 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,31,11,18,27,29,2;33,32,34,37,35,36/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(17,18)(19,20);(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.4,17.2,18.2,21.1;1.3,2.3,3.3,4.3,5.3,6.2/rA:42nC3O1B4C3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHIC3C3C3C3C2C3HHHHH/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s23;s27;s22s24;s29;s3;;s32;s33;s34;s35;s32s36;s32;s33;s34;s35;s37;/rC:-1.4682,-2.548,.2565;-1.6583,-3.7205,-.0214;-.8624,.4136,.4098;-2.5855,-1.5568,.184;-.1516,-2.0883,.7864;.1396,-.719,.9726;-2.3655,-.1674,.3195;.7878,-3.0565,1.1457;1.9803,-2.6515,1.7279;2.1547,-1.2861,1.9574;1.2772,-.3575,1.6001;.5519,-4.1079,.9644;2.7532,-3.3668,2.0161;3.0676,-.9258,2.4473;-4.6459,.1997,.1923;-4.9409,-1.1502,-.0045;-3.8796,-2.045,.0013;-3.4177,.6782,.3442;-4.0202,-3.1211,-.1255;-5.4598,.9354,.2289;-5.9725,-1.4813,-.1421;-.742,1.8311,1.1584;-.9725,4.0863,1.2488;.2941,3.8024,1.611;-1.4749,5.0526,1.2368;1.0734,4.482,1.9526;-1.5374,2.9477,.6565;-2.5359,2.778,.7016;.5745,2.4689,1.2452;1.2247,1.9203,1.7991;-.2925,.6194,-1.7945;4.7492,-1.279,-.63;5.1875,-.2369,.1892;4.4295,.9324,.3126;3.225,1.0717,-.3855;2.843,.0239,-1.1998;3.5492,-1.1519,-1.3443;5.3386,-2.1975,-.7101;6.1228,-.3404,.7462;4.7693,1.7343,.975;2.5708,1.9387,-.2473;3.1845,-1.964,-1.9796; /NFS_R1/Userdata/grufor/SOFTWARE/g16/g16 Output=18_p_PhI.log chk=18_p_PhI.chk Mem=12000MB NProc=12 #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=43,7=101,11=2,24=110,25=1,30=1,71=1,74=-58/1,2,3 4//1 5/5=2,8=3,13=1,38=5/2,8 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=43,7=101,11=2,25=1,30=1,71=1,74=-58/1,2,3 4/5=5,16=3,69=1/1 5/5=2,8=3,13=1,38=5/2,8 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 coments 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 12 16 11 12 12 12 12 12 12 12 14 1 1 1 12 12 12 14 1 1 1 12 12 12 1 1 14 1 14 1 127 12 12 12 12 12 12 1 1 1 1 1 12.0000000 15.9949146 11.0093053 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 14.0030740 1.0078250 14.0030740 1.0078250 126.9004000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 3 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 1 1 1 0 0 0 1 1 2 1 2 1 5 0 0 0 0 0 0 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 -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 /NFS_R1/Userdata/grufor/SOFTWARE/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 1 1 1 3 3 3 3 4 4 5 5 6 7 8 8 9 9 10 10 15 15 15 16 16 17 22 22 23 23 23 24 24 27 29 29 30 32 32 32 33 33 34 34 35 35 36 37 2 4 5 6 7 22 31 7 17 6 8 11 18 9 12 10 13 11 14 16 18 20 17 21 19 27 29 24 25 27 26 29 28 30 41 41 33 37 38 34 39 35 40 36 41 37 42 1.2198 1.4953 1.4918 1.6136 1.6141 1.6076 2.286 1.4133 1.3952 1.4122 1.3961 1.3485 1.35 1.3875 1.0926 1.3955 1.0918 1.3266 1.0969 1.3957 1.3268 1.0978 1.3882 1.0921 1.0926 1.4599 1.4655 1.3476 1.0892 1.4023 1.0889 1.4109 1.0138 1.0151 2.5482 2.4495 1.3962 1.4023 1.0943 1.3989 1.0935 1.3991 1.0942 1.381 1.0948 1.3792 1.0936 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 2 2 4 6 6 6 7 7 22 1 1 7 1 1 6 3 3 5 3 3 4 5 5 9 8 8 10 9 9 11 6 16 16 18 15 15 17 4 4 16 7 3 3 27 24 24 25 23 23 26 22 22 23 22 22 22 24 24 33 33 37 32 32 34 33 33 35 34 34 36 35 32 32 36 29 30 1 1 1 3 3 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 15 15 15 16 16 16 17 17 17 18 22 22 22 23 23 23 24 24 24 27 27 27 29 29 29 29 29 32 32 32 33 33 33 34 34 34 35 35 35 36 37 37 37 41 41 4 5 5 7 22 31 22 31 31 7 17 17 6 8 8 5 11 11 4 18 18 9 12 12 10 13 13 11 14 14 10 18 20 20 17 21 21 16 19 19 15 27 29 29 25 27 27 26 29 29 23 28 28 24 30 41 30 41 37 38 38 34 39 39 35 40 40 36 41 41 37 36 42 42 35 35 120.6355 120.9784 118.1862 110.1925 114.2075 104.1657 114.4026 102.1568 110.5494 122.0584 117.87 120.0606 121.847 118.1306 119.9844 120.4333 119.8633 119.6883 120.2754 119.9557 119.7535 118.937 118.6463 122.4148 117.5165 121.8647 120.6103 123.9161 119.9224 116.1555 119.7083 124.0995 119.7413 116.1592 117.4645 120.7114 121.8182 118.9561 118.6293 122.4133 119.5672 118.2635 118.5886 100.1926 128.5666 108.7279 122.0001 128.7127 108.4346 121.9358 104.8542 113.158 120.9223 104.3652 111.8718 125.351 119.7703 120.2767 119.9935 120.0267 119.9787 120.3649 119.7822 119.8492 120.3822 119.8446 119.7606 117.1774 122.0268 120.664 124.5454 117.5207 120.9255 121.548 134.9733 115.334 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 2 2 5 5 2 2 4 4 7 7 22 22 31 31 6 6 22 22 31 31 6 6 7 7 31 31 1 1 17 17 1 1 7 7 1 1 8 8 1 1 6 6 3 5 3 4 5 5 12 12 8 8 13 13 9 14 18 18 20 20 16 20 15 15 21 21 3 3 29 29 3 3 3 27 27 27 25 25 27 27 24 24 25 25 23 23 23 26 26 26 22 24 37 37 38 38 33 33 38 38 32 32 39 39 33 33 40 40 34 41 34 34 36 36 35 35 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 7 7 8 8 8 8 9 9 9 9 10 10 15 15 15 15 15 15 16 16 16 16 22 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 24 24 24 24 24 24 29 29 32 32 32 32 32 32 32 32 33 33 33 33 34 34 34 34 35 35 35 35 35 35 36 36 4 4 4 4 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 22 22 22 22 22 22 7 7 7 7 17 17 17 17 6 6 6 6 8 8 8 8 11 11 18 18 9 9 9 9 10 10 10 10 11 11 16 16 16 16 18 18 17 17 17 17 27 27 27 27 29 29 29 29 29 29 24 24 24 24 27 27 27 27 29 29 29 29 29 29 41 41 33 33 33 33 37 37 37 37 34 34 34 34 35 35 35 35 36 36 41 41 41 41 37 37 7 17 7 17 6 8 6 8 5 11 5 11 5 11 4 18 4 18 4 18 27 29 27 29 27 29 3 18 3 18 16 19 16 19 3 11 3 11 9 12 9 12 10 10 15 15 10 13 10 13 11 14 11 14 6 6 17 21 17 21 7 7 4 19 4 19 23 28 23 28 24 30 41 24 30 41 26 29 26 29 22 28 22 28 22 30 41 22 30 41 35 35 34 39 34 39 36 42 36 42 35 40 35 40 36 41 36 41 37 37 29 30 29 30 32 42 -171.1708 10.0406 13.9179 -164.8706 172.7705 -9.4743 -12.3365 165.4187 26.6473 -154.7719 157.0372 -24.382 -82.2724 96.3084 -25.0841 156.3458 -155.3702 26.0597 85.1563 -93.4138 175.581 54.1285 -56.1364 -177.5889 58.5106 -62.9419 6.2541 -175.1729 -174.9833 3.5897 176.9136 -2.6735 -1.9002 178.5128 -9.2662 172.1505 173.0193 -5.564 -175.5024 4.014 2.2962 -178.1875 -174.1105 4.481 176.1444 -2.4332 1.8208 -179.2354 -177.6764 1.2674 -3.0402 177.8858 178.0021 -1.0719 -0.1839 178.9219 2.0362 -178.8372 -177.9246 1.202 -0.3874 179.5747 -0.7901 178.7806 -179.9064 -0.3358 -164.7672 61.4696 -34.3264 -168.0895 164.7184 -64.3533 19.6559 34.4848 165.413 -110.5777 -0.8325 -169.8682 169.5536 0.5179 22.1383 151.4212 -166.7192 -37.4363 -22.826 -148.9492 124.4313 167.2456 41.1225 -45.497 -67.1393 152.8318 0.5907 179.8839 -179.0304 0.2627 -0.0089 -179.1443 179.6124 0.477 -0.1276 178.5811 -179.4204 -0.7117 -0.888 174.9616 -179.5978 -3.7482 1.5507 -174.3587 -92.6838 -77.0735 83.0236 98.6338 -1.1062 178.0235 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 493 A 465 A 822 493 2665.6622788903 42 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. local minimum Step number 59 out of a maximum of 249 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00049 0.00117 0.00465 0.00782 0.00916 0.01026 0.01167 0.01318 0.01454 0.01571 0.01675 0.01774 0.01819 0.01889 0.01962 0.02071 0.02089 0.02115 0.02131 0.02135 0.02144 0.02180 0.02194 0.02207 0.02211 0.02222 0.02268 0.02305 0.02441 0.02467 0.02506 0.02670 0.02913 0.03145 0.03463 0.03778 0.04273 0.04367 0.04988 0.07208 0.07453 0.08385 0.08850 0.10095 0.15544 0.15679 0.15841 0.15977 0.15991 0.16000 0.16002 0.16005 0.16010 0.16020 0.16029 0.16067 0.16264 0.16950 0.20256 0.20845 0.21977 0.22058 0.22095 0.22161 0.22400 0.23044 0.23307 0.23509 0.23655 0.23904 0.24117 0.24694 0.24741 0.25061 0.25358 0.26981 0.30740 0.32512 0.33086 0.33925 0.34107 0.34326 0.34333 0.34388 0.34420 0.34513 0.34540 0.34577 0.34622 0.34787 0.34919 0.34989 0.36167 0.37662 0.38050 0.40811 0.41406 0.41988 0.43123 0.43374 0.44430 0.44632 0.44947 0.45324 0.45856 0.45871 0.46281 0.46789 0.47503 0.48098 0.48843 0.49112 0.52891 0.54854 0.57546 0.58524 0.60814 0.63874 0.94864 1.01858 -9.65347832e-10 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 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 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 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 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 2.29701 2.83135 2.82683 3.02174 3.02169 3.00769 4.38873 2.65594 2.63935 2.65384 2.63996 2.55139 2.55057 2.61977 2.06285 2.63607 2.06096 2.51310 2.07026 2.63672 2.51333 2.07016 2.62333 2.06170 2.06405 2.52469 2.52431 2.57930 2.05060 2.59884 2.05061 2.59866 1.95064 1.95274 10.03060 8.76133 2.63962 2.64796 2.06572 2.63915 2.06435 2.64769 2.06621 2.60396 2.06512 2.60426 2.06438 2.10297 2.10665 2.07188 1.97169 1.96940 1.87163 1.97233 1.84501 1.81925 2.12765 2.07079 2.08447 2.12755 2.06896 2.08667 2.09150 2.08333 2.10821 2.08745 2.08607 2.10916 2.07384 2.07696 2.13235 2.06102 2.12064 2.10152 2.15688 2.09504 2.03127 2.07878 2.15586 2.09551 2.03181 2.06044 2.10068 2.12192 2.07494 2.07535 2.13286 2.07964 2.21264 2.20855 1.86174 2.28016 1.85759 2.14543 2.27985 1.85777 2.14557 1.92379 2.04593 2.31235 1.92387 2.04225 1.44830 2.31574 2.61858 2.09890 2.09642 2.08787 2.10363 2.08935 2.09021 2.09781 2.09492 2.09044 2.03892 2.12148 2.12272 2.18948 2.03758 2.11037 2.13498 2.03644 2.01624 -3.00173 0.16508 0.20166 -2.91472 2.97295 -0.17232 -0.23057 2.90734 0.36523 -2.79454 2.62936 -0.53041 -1.66054 1.46287 -0.39199 2.78306 -2.65463 0.52043 1.64955 -1.45858 -2.71185 0.45725 -0.44805 2.72105 1.54655 -1.56753 0.12327 -3.05224 -3.04373 0.06395 3.08771 -0.04571 -0.02931 3.12046 -0.06884 3.09120 3.07647 -0.04668 -3.11870 0.03179 0.01930 -3.11339 -3.08526 0.03797 3.06042 -0.04728 0.01441 -3.12771 -3.13638 0.00469 -0.02410 3.11564 3.11801 -0.02544 -0.00241 3.14098 0.03692 -3.12260 -3.10326 0.02040 -0.00360 3.13663 -0.01864 3.11450 3.14111 -0.00894 -3.11135 0.07474 0.00717 -3.08992 3.11152 -0.07819 0.45451 -0.00708 3.08640 -2.66409 0.00032 3.14108 -3.14062 0.00015 -0.00456 3.08336 3.13763 -0.05764 0.00431 -3.07896 1.96320 -3.13803 0.06189 -1.17914 -0.96636 -3.04233 0.00515 -3.13812 -3.13314 0.00678 -0.00318 -3.12148 3.13513 0.01683 0.00063 3.13698 -3.13928 -0.00293 -0.00795 3.12213 3.13887 -0.01423 0.01043 -3.11965 -2.01411 -1.83904 1.11542 1.29049 -0.00488 3.11306 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00038 -0.00029 0.00000 0.00000 0.00000 -0.00000 0.00000 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 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00002 -0.00004 0.00002 -0.00004 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00008 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00002 -0.00001 -0.00002 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00003 -0.00002 -0.00003 -0.00002 -0.00004 -0.00003 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00001 0.00002 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00002 0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00003 -0.00000 0.00002 -0.00000 -0.00000 0.00006 0.00000 0.00000 0.00007 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00002 -0.00000 -0.00003 -0.00000 0.00000 -0.00014 -0.00000 0.00000 -0.00014 -0.00035 -0.00024 -0.00001 -0.00001 -0.00001 -0.00001 0.00002 -0.00000 0.00003 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00002 0.00002 0.00000 0.00001 -0.00000 -0.00001 0.00015 0.00017 0.00016 0.00017 -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 -0.00001 -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 0.00009 0.00010 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00001 -0.00002 -0.00002 0.00003 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00001 -0.00001 -0.00002 -0.00001 -0.00002 -0.00000 0.00001 0.00000 0.00001 0.00001 0.00003 -0.00002 -0.00002 -0.00002 -0.00002 -0.00003 -0.00003 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00001 0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00002 0.00002 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00002 0.00002 -0.00001 0.00002 0.00002 -0.00001 0.00000 0.00003 -0.00000 0.00002 -0.00001 -0.00001 -0.00002 -0.00002 -0.00002 -0.00003 -0.00003 -0.00000 -0.00001 -0.00001 -0.00003 -0.00002 0.00000 0.00000 -0.00000 -0.00000 -0.00003 0.00001 -0.00002 0.00001 0.00002 -0.00001 0.00002 -0.00001 -0.00001 -0.00003 0.00002 -0.00000 -0.00002 0.00000 0.00007 0.00007 0.00005 0.00006 0.00003 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00029 -0.00019 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 0.00000 0.00002 0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00007 0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00002 -0.00001 0.00002 -0.00000 0.00009 0.00003 -0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00002 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00002 0.00003 -0.00004 -0.00004 -0.00004 -0.00004 -0.00007 -0.00006 0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00002 0.00002 -0.00000 0.00001 -0.00001 0.00000 -0.00002 -0.00002 -0.00001 0.00001 -0.00001 -0.00000 -0.00002 -0.00001 0.00001 0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00002 -0.00001 0.00002 0.00001 0.00001 0.00005 0.00002 0.00002 0.00006 0.00001 0.00003 -0.00001 0.00002 -0.00001 -0.00003 -0.00002 -0.00005 -0.00002 -0.00002 -0.00016 -0.00000 -0.00000 -0.00014 -0.00038 -0.00026 -0.00000 -0.00000 -0.00002 -0.00002 -0.00001 0.00000 0.00001 0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00002 0.00000 -0.00002 -0.00001 0.00023 0.00024 0.00021 0.00023 0.00002 0.00001 2.29701 2.83134 2.82684 3.02174 3.02169 3.00769 4.38873 2.65594 2.63935 2.65384 2.63996 2.55139 2.55057 2.61977 2.06285 2.63607 2.06096 2.51309 2.07026 2.63672 2.51333 2.07016 2.62333 2.06170 2.06405 2.52469 2.52430 2.57930 2.05060 2.59884 2.05061 2.59866 1.95063 1.95275 10.03031 8.76114 2.63962 2.64796 2.06572 2.63915 2.06435 2.64770 2.06621 2.60395 2.06511 2.60427 2.06438 2.10298 2.10665 2.07188 1.97169 1.96940 1.87165 1.97233 1.84500 1.81924 2.12765 2.07079 2.08447 2.12757 2.06895 2.08667 2.09150 2.08334 2.10820 2.08746 2.08607 2.10916 2.07384 2.07696 2.13235 2.06102 2.12065 2.10152 2.15688 2.09504 2.03127 2.07878 2.15586 2.09551 2.03181 2.06044 2.10068 2.12192 2.07495 2.07535 2.13286 2.07965 2.21265 2.20855 1.86173 2.28015 1.85759 2.14544 2.27985 1.85776 2.14558 1.92379 2.04592 2.31235 1.92388 2.04224 1.44823 2.31575 2.61857 2.09890 2.09641 2.08788 2.10363 2.08934 2.09021 2.09781 2.09493 2.09044 2.03891 2.12149 2.12272 2.18950 2.03757 2.11039 2.13498 2.03653 2.01627 -3.00173 0.16508 0.20165 -2.91473 2.97294 -0.17234 -0.23057 2.90733 0.36522 -2.79455 2.62935 -0.53043 -1.66055 1.46286 -0.39199 2.78308 -2.65463 0.52044 1.64957 -1.45855 -2.71189 0.45722 -0.44810 2.72101 1.54649 -1.56759 0.12328 -3.05224 -3.04372 0.06394 3.08770 -0.04571 -0.02931 3.12046 -0.06883 3.09121 3.07649 -0.04666 -3.11870 0.03180 0.01930 -3.11339 -3.08528 0.03795 3.06042 -0.04727 0.01440 -3.12771 -3.13640 0.00468 -0.02409 3.11565 3.11801 -0.02543 -0.00240 3.14099 0.03692 -3.12261 -3.10326 0.02041 -0.00360 3.13662 -0.01864 3.11449 3.14111 -0.00894 -3.11135 0.07476 0.00716 -3.08990 3.11153 -0.07818 0.45456 -0.00706 3.08642 -2.66403 0.00033 3.14111 -3.14062 0.00016 -0.00456 3.08333 3.13761 -0.05769 0.00429 -3.07898 1.96304 -3.13803 0.06188 -1.17928 -0.96674 -3.04260 0.00515 -3.13812 -3.13316 0.00676 -0.00319 -3.12148 3.13514 0.01685 0.00064 3.13697 -3.13928 -0.00294 -0.00795 3.12212 3.13889 -0.01423 0.01041 -3.11965 -2.01388 -1.83880 1.11564 1.29072 -0.00486 3.11308 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000006 0.000001 0.001257 0.000249 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.035468e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 1 1 1 3 3 3 3 4 4 5 5 6 7 8 8 9 9 10 10 15 15 15 16 16 17 22 22 23 23 23 24 24 27 29 29 30 32 32 32 33 33 34 34 35 35 36 37 2 4 5 6 7 22 31 7 17 6 8 11 18 9 12 10 13 11 14 16 18 20 17 21 19 27 29 24 25 27 26 29 28 30 41 41 33 37 38 34 39 35 40 36 41 37 42 1.2155 1.4983 1.4959 1.599 1.599 1.5916 2.3224 1.4055 1.3967 1.4044 1.397 1.3501 1.3497 1.3863 1.0916 1.3949 1.0906 1.3299 1.0955 1.3953 1.33 1.0955 1.3882 1.091 1.0922 1.336 1.3358 1.3649 1.0851 1.3752 1.0851 1.3752 1.0322 1.0333 5.308 4.6363 1.3968 1.4012 1.0931 1.3966 1.0924 1.4011 1.0934 1.378 1.0928 1.3781 1.0924 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 2 2 4 6 6 6 7 7 22 1 1 7 1 1 6 3 3 5 3 3 4 5 5 9 8 8 10 9 9 11 6 16 16 18 15 15 17 4 4 16 7 3 3 27 24 24 25 23 23 26 22 22 23 22 22 22 24 24 33 33 37 32 32 34 33 33 35 34 34 36 35 32 32 36 29 30 1 1 1 3 3 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 15 15 15 16 16 16 17 17 17 18 22 22 22 23 23 23 24 24 24 27 27 27 29 29 29 29 29 32 32 32 33 33 33 34 34 34 35 35 35 36 37 37 37 41 41 4 5 5 7 22 31 22 31 31 7 17 17 6 8 8 5 11 11 4 18 18 9 12 12 10 13 13 11 14 14 10 18 20 20 17 21 21 16 19 19 15 27 29 29 25 27 27 26 29 29 23 28 28 24 30 41 30 41 37 38 38 34 39 39 35 40 40 36 41 41 37 36 42 42 35 35 120.4914 120.7022 118.7102 112.9694 112.8384 107.2364 113.0063 105.7115 104.2355 121.9054 118.6475 119.4315 121.8999 118.5425 119.5572 119.8343 119.3661 120.7913 119.6024 119.5231 120.8462 118.8222 119.0013 122.1745 118.0877 121.504 120.4082 123.5801 120.0369 116.3829 119.1054 123.5218 120.0639 116.4143 118.0546 120.3601 121.5771 118.8855 118.9091 122.2037 119.1549 126.7751 126.5407 106.6697 130.6437 106.4319 122.9243 130.6256 106.4423 122.9321 110.2248 117.223 132.488 110.2296 117.0126 82.9812 132.6824 150.0334 120.2579 120.1158 119.6261 120.5291 119.7107 119.7601 120.1955 120.0303 119.7736 116.8218 121.552 121.6228 125.4482 116.7449 120.9155 122.3255 116.6793 115.5222 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 2 2 5 5 2 2 4 4 7 7 22 22 31 31 6 6 22 22 31 31 6 6 7 7 31 31 1 1 17 17 1 1 7 7 1 1 8 8 1 1 6 6 3 5 3 4 5 5 12 12 8 8 13 13 9 14 18 18 20 20 16 20 15 15 21 21 3 3 29 29 3 3 3 27 27 27 25 25 27 27 24 24 25 25 23 23 23 26 26 26 22 24 37 37 38 38 33 33 38 38 32 32 39 39 33 33 40 40 34 41 34 34 36 36 35 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 7 7 8 8 8 8 9 9 9 9 10 10 15 15 15 15 15 15 16 16 16 16 22 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 24 24 24 24 24 24 29 29 32 32 32 32 32 32 32 32 33 33 33 33 34 34 34 34 35 35 35 35 35 35 36 4 4 4 4 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 22 22 22 22 22 22 7 7 7 7 17 17 17 17 6 6 6 6 8 8 8 8 11 11 18 18 9 9 9 9 10 10 10 10 11 11 16 16 16 16 18 18 17 17 17 17 27 27 27 27 29 29 29 29 29 29 24 24 24 24 27 27 27 27 29 29 29 29 29 29 41 41 33 33 33 33 37 37 37 37 34 34 34 34 35 35 35 35 36 36 41 41 41 41 37 7 17 7 17 6 8 6 8 5 11 5 11 5 11 4 18 4 18 4 18 27 29 27 29 27 29 3 18 3 18 16 19 16 19 3 11 3 11 9 12 9 12 10 10 15 15 10 13 10 13 11 14 11 14 6 6 17 21 17 21 7 7 4 19 4 19 23 28 23 28 24 30 41 24 30 41 26 29 26 29 22 28 22 28 22 30 41 22 30 41 35 35 34 39 34 39 36 42 36 42 35 40 35 40 36 41 36 41 37 37 29 30 29 30 32 -171.9863 9.4582 11.5542 -167.0013 170.3374 -9.8733 -13.2108 166.5785 20.9264 -160.1153 150.6513 -30.3904 -95.1418 83.8165 -22.4596 159.4578 -152.0988 29.8185 94.5123 -83.5703 -155.3775 26.1987 -25.6715 155.9047 88.611 -89.8128 7.0627 -174.8806 -174.3928 3.6639 176.9126 -2.619 -1.6795 178.789 -3.9443 177.1125 176.2685 -2.6747 -178.6884 1.8217 1.1059 -178.384 -176.7723 2.1758 175.3494 -2.7088 0.8255 -179.2045 -179.7015 0.2685 -1.3807 178.513 178.649 -1.4574 -0.1379 179.9649 2.1153 -178.912 -177.8036 1.1691 -0.2061 179.7155 -1.0679 178.4474 179.9725 -0.5121 -178.2673 4.2825 0.4108 -177.0394 178.2768 -4.48 26.0413 -0.4054 176.8378 -152.6408 0.0183 179.9709 -179.9442 0.0083 -0.2611 176.6637 179.7728 -3.3024 0.247 -176.4113 112.4833 -179.7959 3.5458 -67.5596 -55.3686 -174.3128 0.2953 -179.8008 -179.5157 0.3882 -0.1821 -178.8475 179.6298 0.9644 0.0362 179.7358 -179.8677 -0.1681 -0.4556 178.885 179.844 -0.8154 0.5975 -178.7426 -115.3999 -105.3693 63.9091 73.9397 -0.2796 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0395826853 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 449.9556699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,31,11,18,27,29,2;33,32,34,37,35,36/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(17,18)(19,20);(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.4,17.2,18.2,21.1;1.3,2.3,3.3,4.3,5.3,6.2/rA:42nC3O1B4C3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHIC3C3C3C3C2C3HHHHH/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s23;s27;s22s24;s29;s3;;s32;s33;s34;s35;s32s36;s32;s33;s34;s35;s37;/rC:-1.4682,-2.548,.2565;-1.6583,-3.7204,-.0214;-.8624,.4136,.4098;-2.5855,-1.5568,.184;-.1516,-2.0883,.7864;.1396,-.719,.9726;-2.3655,-.1674,.3194;.7878,-3.0565,1.1457;1.9803,-2.6515,1.7279;2.1547,-1.2861,1.9574;1.2772,-.3575,1.6001;.5519,-4.1079,.9644;2.7532,-3.3668,2.0161;3.0676,-.9258,2.4473;-4.6458,.1997,.1923;-4.941,-1.1502,-.0045;-3.8796,-2.0451,.0013;-3.4176,.6782,.3442;-4.0202,-3.1211,-.1255;-5.4598,.9354,.2289;-5.9725,-1.4813,-.1421;-.7421,1.8311,1.1584;-.9725,4.0863,1.2488;.2941,3.8024,1.611;-1.4749,5.0526,1.2368;1.0734,4.482,1.9526;-1.5374,2.9477,.6565;-2.5359,2.778,.7016;.5745,2.4689,1.2452;1.2247,1.9203,1.7991;-.2925,.6194,-1.7945;4.7492,-1.279,-.63;5.1875,-.2369,.1892;4.4295,.9324,.3126;3.225,1.0718,-.3855;2.843,.0239,-1.1998;3.5492,-1.1519,-1.3443;5.3386,-2.1975,-.7101;6.1228,-.3404,.7462;4.7693,1.7343,.975;2.5708,1.9387,-.2473;3.1845,-1.964,-1.9796; 0.000000 1.219809 0.000000 3.026853 4.232011 0.000000 1.495340 2.362824 2.627300 0.000000 1.491834 2.363643 2.628002 2.563005 0.000000 2.538326 3.637196 1.613587 2.958034 1.412186 0.000000 2.544958 3.638776 1.614084 1.413271 2.968077 2.647058 0.000000 2.477627 2.790405 3.912353 3.814816 1.396103 2.431871 4.355871 0.000000 3.750718 4.176415 4.383303 4.942504 2.397659 2.773645 5.200134 1.387498 0.000000 4.196490 4.937670 3.792974 5.068245 2.708052 2.313385 4.936284 2.379425 1.395495 0.000000 3.760449 4.749343 2.566943 4.285331 2.387307 1.348538 3.865997 2.780471 2.402784 1.326639 0.000000 2.648594 2.450938 4.769875 4.118255 2.146042 3.413846 4.945229 1.092622 2.178135 3.393710 3.872439 0.000000 4.646093 4.872122 5.472091 5.927341 3.403585 3.863943 6.270263 2.171753 1.091769 2.165859 3.377514 2.549641 0.000000 5.291908 6.019859 4.624921 6.121889 3.804336 3.284858 5.884029 3.381080 2.162819 1.096917 2.060616 4.318938 2.498678 0.000000 4.201389 4.933388 3.795764 2.707517 5.077988 4.934955 2.313148 6.405974 7.375199 7.181245 6.113506 6.794712 8.413760 8.114710 0.000000 3.752612 4.169149 4.387726 2.397748 4.944018 5.191629 2.775548 6.146176 7.291023 7.363108 6.470605 6.313323 8.258037 8.378425 1.395747 0.000000 2.476547 2.782376 3.913554 1.395227 3.810071 4.342401 2.432990 4.910991 6.139078 6.388699 5.656624 4.982133 7.056953 7.449809 2.379590 1.388206 0.000000 3.770472 4.751483 2.569780 2.390279 4.302990 3.873151 1.349979 5.681211 6.491490 6.124663 4.969053 6.248868 7.565433 7.003833 1.326836 2.405224 2.783341 0.000000 2.643310 2.438916 4.769988 2.145051 4.106619 4.927471 3.414753 4.973601 6.297745 6.770121 6.219153 4.802668 7.108075 7.853339 3.394159 2.178738 1.092595 3.875352 0.000000 5.297949 6.015876 4.630522 3.804631 6.134380 5.885937 3.286162 7.470535 8.394567 8.118095 6.995672 7.881415 9.442249 9.005655 1.097800 2.161834 3.381104 2.061551 4.318975 0.000000 4.646039 4.862114 5.478050 3.403547 5.925665 6.259555 3.866488 7.059849 8.253108 8.396264 7.540351 7.119779 9.184229 9.420019 2.167428 1.092099 2.172189 3.380432 2.549655 2.498218 0.000000 4.529665 5.749055 1.607590 3.978197 3.981048 2.704680 2.708074 5.121527 5.275401 4.329736 3.010400 6.081449 6.322242 4.875971 4.339890 5.279367 5.119414 3.025078 6.076149 4.891201 6.326267 0.000000 6.726448 7.939111 3.768937 5.964968 6.246055 4.940099 4.571463 7.357296 7.372055 6.256541 4.993181 8.339653 8.367700 6.548266 5.451228 6.688887 6.899413 4.291008 7.945109 5.577196 7.611445 2.268733 0.000000 6.728168 7.941653 3.776803 6.248976 5.964760 4.568880 4.949849 6.892394 6.671564 5.429028 4.274451 7.940838 7.590009 5.544995 6.276593 7.385422 7.362358 5.014267 8.340498 6.575570 8.382253 2.272517 1.347639 0.000000 7.663612 8.864727 4.751793 6.784300 7.276407 5.999036 5.374301 8.419412 8.457738 7.339780 6.080709 9.385997 9.453589 7.605295 5.890419 7.213179 7.595164 4.868979 8.668606 5.817855 8.051268 3.304710 1.089160 2.198299 0.000000 7.665311 8.867823 4.762230 7.278879 6.784418 5.374250 6.009129 7.586937 7.194407 5.868542 4.856524 8.662206 8.026756 5.784915 7.358399 8.469000 8.422711 6.101235 9.384551 7.631002 9.465379 3.309582 2.199407 1.088908 2.707697 0.000000 5.510706 6.703609 2.634033 4.648937 5.224765 4.044408 3.240853 6.457293 6.698759 5.766167 4.442568 7.364865 7.754365 6.278251 4.174888 5.367902 5.553666 2.963741 6.603534 4.429220 6.318599 1.459857 1.402272 2.235174 2.184338 3.293911 0.000000 5.450236 6.597198 2.911415 4.365943 5.419673 4.411503 2.974967 6.729515 7.136491 6.332115 5.017810 7.551125 8.213464 6.940069 3.370337 4.659849 5.055525 2.305356 6.139005 3.488304 5.537557 2.079219 2.110768 3.144104 2.566311 4.182726 1.013832 0.000000 5.506307 6.700558 2.643224 5.226656 4.637364 3.228953 4.055957 5.530414 5.331756 4.135688 2.933920 6.582779 6.276609 4.379960 5.788790 6.714174 6.462391 4.467197 7.364662 6.308563 7.771263 1.465477 2.238169 1.410930 3.297864 2.191307 2.244096 3.172662 0.000000 5.440333 6.591219 2.925080 5.405205 4.357572 2.970962 4.408792 5.038556 4.634425 3.342339 2.287078 6.122799 5.507925 3.452085 6.324968 7.120113 6.708978 5.021021 7.525205 6.936715 8.193834 2.070354 3.133974 2.107933 4.173115 2.570676 3.160673 4.010222 1.015085 0.000000 3.952383 4.882999 2.286000 3.729336 3.743286 3.104011 3.063513 4.829485 5.317131 4.867859 3.865407 5.538195 6.299705 5.627658 4.803643 5.286183 4.815748 3.787336 5.538301 5.558347 6.277391 3.223362 4.662955 4.698175 5.499090 5.552081 3.602489 3.990335 3.662210 4.111946 0.000000 6.407200 6.883878 5.952795 7.384923 5.165169 4.912236 7.263395 4.690975 3.887202 3.664167 4.228153 5.306775 3.917261 3.524575 9.546190 9.711181 8.685752 8.454412 8.974979 10.481688 10.734710 6.559377 8.065605 7.119707 9.072678 7.305491 7.683825 8.444244 5.915296 5.344047 5.511698 0.000000 7.045873 7.684107 6.088744 7.884257 5.682467 5.131013 7.554508 5.312509 4.299335 3.664063 4.158795 6.088877 4.365788 3.172990 9.843051 10.171415 9.247607 8.655065 9.654007 10.711764 11.234082 6.354198 7.599865 6.502473 8.571082 6.504069 7.455463 8.306811 5.451207 4.790570 5.890579 1.396172 0.000000 6.848246 7.669520 5.318083 7.444583 5.507698 4.643850 6.883436 5.465061 4.565696 3.577912 3.641147 6.392508 4.918805 3.140779 9.105639 9.604298 8.831942 7.851296 9.381863 9.889661 10.688020 5.316757 6.324934 5.198450 7.258922 5.152923 6.307383 7.216235 4.253364 3.668334 5.180235 2.425044 1.398902 0.000000 5.961605 6.851613 4.215681 6.402733 4.770774 3.817158 5.769433 5.032591 4.458523 3.491997 3.127140 5.982979 5.068629 3.469842 7.940043 8.471416 7.767862 6.694168 8.374985 8.707592 9.548363 4.324090 5.420050 4.475735 6.369279 4.661072 5.223498 6.105796 3.411144 3.081223 3.816097 2.812309 2.427821 1.399132 0.000000 5.227031 5.972504 4.058616 5.820802 4.168189 3.546760 5.428965 4.383377 4.058769 3.486787 3.230571 5.196566 4.674063 3.775438 7.619167 7.962241 7.135608 6.481341 7.625526 8.474029 9.005411 4.656192 6.087420 5.354857 7.061817 5.739664 5.584108 6.335069 4.135444 3.899894 3.246485 2.378197 2.737551 2.372688 1.380966 0.000000 5.448489 5.955353 4.998972 6.335132 4.371817 4.144975 6.222686 4.177680 3.761522 3.586650 3.802999 4.801226 4.102679 3.828821 8.446715 8.595234 7.602373 7.398474 7.915757 9.380553 9.602955 5.794600 7.389774 6.623789 8.390457 6.981406 6.832528 7.527193 5.353908 4.972280 4.254282 1.402298 2.423469 2.804373 2.443191 1.379165 0.000000 6.883971 7.193781 6.820828 8.000009 5.691522 5.660951 8.033365 4.989107 4.174679 4.252442 5.021695 5.418990 3.934936 4.091959 10.307743 10.356801 9.246875 9.276448 9.422378 11.282838 11.347946 7.529643 9.118826 8.175126 10.137943 8.360458 8.695946 9.421045 6.949413 6.338549 6.389049 1.094275 2.162352 3.415917 3.906501 3.376731 2.167347 0.000000 7.920612 8.518199 7.033775 8.810746 6.513407 5.999393 8.500815 5.999909 4.844080 4.255256 4.920269 6.728743 4.703848 3.545561 10.796386 11.118705 10.173949 9.603068 10.553295 11.664147 12.181414 7.211909 8.378017 7.203043 9.330052 7.085706 8.336530 9.203222 6.238924 5.496488 6.966498 2.159055 1.093452 2.162224 3.416449 3.831001 3.413516 2.486878 0.000000 7.600004 8.488865 5.811962 8.096239 6.233954 5.239484 7.412936 6.231606 5.251686 4.113846 4.118315 7.205330 5.582962 3.484165 9.571418 10.176846 9.488684 8.278822 10.101510 10.287349 11.268270 5.515230 6.210852 4.970761 7.075972 4.707990 6.430215 7.384415 4.267141 3.643917 5.876613 3.414118 2.162802 1.094208 2.162109 3.371319 3.898452 4.315387 2.487693 0.000000 6.057860 7.068406 3.813664 6.244316 4.969525 3.802906 5.396661 5.483757 5.031912 3.928485 3.218457 6.488839 5.771004 3.963963 7.436196 8.125670 7.585504 6.148170 8.310084 8.107041 9.203006 3.600340 4.405106 3.479893 5.316601 3.681018 4.325711 5.261449 2.548238 2.449523 3.511798 3.904563 3.430880 2.186540 1.094842 2.155907 3.422382 4.998315 4.335672 2.523726 0.000000 5.195081 5.511174 5.266838 6.175733 4.335418 4.420048 6.270321 4.087164 3.958318 4.125500 4.362678 4.493739 4.256660 4.548524 8.409141 8.401598 7.337085 7.481312 7.528919 9.381324 9.352032 6.298299 8.019328 7.382294 9.016015 7.840270 7.305508 7.899310 6.071390 5.762636 4.335693 2.176881 3.420341 3.897824 3.429101 2.162517 1.093641 2.511163 4.324250 4.991827 4.313796 0.000000 C20H15BIN4O(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 449.9556699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,31,11,18,27,29,2;33,32,34,37,35,36/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(17,18)(19,20);(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.4,17.2,18.2,21.1;1.3,2.3,3.3,4.3,5.3,6.2/rA:42nC3O1B4C3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHIC3C3C3C3C2C3HHHHH/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s23;s27;s22s24;s29;s3;;s32;s33;s34;s35;s32s36;s32;s33;s34;s35;s37;/rC:1.4766,-2.5412,-.2905;1.6703,-3.7131,-.0132;.8665,.4197,-.4415;2.5935,-1.5488,-.2287;.155,-2.0832,-.8095;-.1392,-.7145,-.9945;2.371,-.1597,-.3637;-.7866,-3.0528,-1.1596;-1.9845,-2.6495,-1.7319;-2.1622,-1.2845,-1.9612;-1.2825,-.3546,-1.6125;-.5481,-4.1037,-.9793;-2.7591,-3.3658,-2.0126;-3.0796,-.9256,-2.4435;4.652,.2097,-.2567;4.9501,-1.1398,-.0611;3.8896,-2.0356,-.0567;3.422,.6868,-.3984;4.0323,-3.1114,.0698;5.4649,.9461,-.3011;5.9831,-1.4697,.0679;.7383,1.8364,-1.1905;.9658,4.0917,-1.2851;-.3037,3.8062,-1.6361;1.4673,5.0585,-1.2785;-1.0865,4.4846,-1.9716;1.5369,2.9542,-.6966;2.5351,2.7855,-.7502;-.5796,2.4727,-1.2665;-1.2339,1.923,-1.8142;.3156,.6272,1.7674;-4.7341,-1.2773,.6486;-5.1806,-.2364,-.1678;-4.4248,.9334,-.299;-3.2144,1.0747,.3885;-2.8243,.028,1.2006;-3.5281,-1.1483,1.3524;-5.3219,-2.1963,.7347;-6.1205,-.3414,-.7165;-4.7711,1.7343,-.9592;-2.5623,1.9421,.2438;-3.1572,-1.9594,1.9852; 0.2243466 0.1457635 0.1183792 -19.23586 -14.54652 -14.54579 -14.44323 -14.43928 -10.42149 -10.38113 -10.38031 -10.38024 -10.33942 -10.33461 -10.32429 -10.32129 -10.31630 -10.31366 -10.30724 -10.30538 -10.30371 -10.30258 -10.30213 -10.30094 -10.30022 -10.29684 -10.29646 -10.29612 -6.91132 -6.85136 -4.93045 -4.92043 -4.91984 -1.96460 -1.96164 -1.96124 -1.95261 -1.95259 -1.14639 -1.12264 -1.03635 -1.03340 -1.02533 -0.94583 -0.90236 -0.89391 -0.89128 -0.87042 -0.84351 -0.83376 -0.82561 -0.77652 -0.75720 -0.74989 -0.73321 -0.71977 -0.71706 -0.69601 -0.68888 -0.68652 -0.67267 -0.64062 -0.61570 -0.60873 -0.59827 -0.59217 -0.58462 -0.57878 -0.56506 -0.55614 -0.55473 -0.55140 -0.54319 -0.53172 -0.52747 -0.51893 -0.50523 -0.50485 -0.49549 -0.49378 -0.48739 -0.47778 -0.47510 -0.46908 -0.46647 -0.44934 -0.44580 -0.44095 -0.42512 -0.41524 -0.40353 -0.36808 -0.36386 -0.35815 -0.35137 -0.34015 -0.33295 -0.32741 -0.32616 -0.32318 -0.31709 -0.31396 -0.29446 -0.26617 -0.04557 -0.00533 0.03175 0.04944 0.05458 0.05886 0.06751 0.07065 0.11977 0.13451 0.14349 0.15063 0.15567 0.16006 0.16456 0.16876 0.17857 0.19226 0.19859 0.20224 0.21474 0.21751 0.22669 0.22796 0.22914 0.23535 0.24061 0.24306 0.24402 0.24622 0.25857 0.27612 0.28814 0.30671 0.31623 0.31900 0.32832 0.34815 0.34959 0.35541 0.36061 0.36482 0.36996 0.37283 0.37510 0.38327 0.38542 0.39097 0.39590 0.39775 0.40314 0.40790 0.41275 0.42198 0.44306 0.45402 0.46134 0.46737 0.47006 0.47776 0.48744 0.49522 0.49948 0.50502 0.51400 0.51544 0.51930 0.52192 0.52576 0.53222 0.54022 0.54119 0.54317 0.54989 0.55041 0.55253 0.56091 0.56692 0.57469 0.57674 0.58263 0.58619 0.59598 0.60046 0.60173 0.60827 0.61566 0.62221 0.63049 0.64451 0.65087 0.65276 0.65727 0.66085 0.66670 0.67280 0.68959 0.69165 0.69832 0.70685 0.71099 0.71548 0.71682 0.72480 0.73357 0.73663 0.73907 0.74065 0.74706 0.75693 0.76030 0.76220 0.77165 0.77207 0.77910 0.78042 0.79073 0.79346 0.79460 0.80295 0.80613 0.81054 0.81759 0.81965 0.82802 0.83216 0.84144 0.84654 0.84802 0.85301 0.85736 0.86433 0.87403 0.87651 0.87874 0.88333 0.89355 0.90142 0.90484 0.91541 0.92691 0.92919 0.94626 0.95072 0.96911 0.98134 0.98821 1.00106 1.01229 1.02029 1.02711 1.03821 1.04876 1.05739 1.07220 1.08282 1.09705 1.11181 1.12618 1.13915 1.15004 1.16165 1.16622 1.18304 1.19042 1.19522 1.20357 1.21452 1.22756 1.23147 1.24431 1.25576 1.27479 1.28965 1.29577 1.29914 1.30586 1.31735 1.32085 1.32806 1.33257 1.33857 1.34289 1.35541 1.36007 1.36291 1.37634 1.38276 1.39239 1.39986 1.42161 1.42708 1.43298 1.44901 1.46278 1.48038 1.49102 1.49864 1.52473 1.53049 1.54307 1.56029 1.57759 1.58325 1.60274 1.61035 1.63006 1.64140 1.65862 1.66560 1.68409 1.73024 1.73666 1.75668 1.76942 1.77855 1.78490 1.78780 1.79315 1.79631 1.80558 1.81776 1.82357 1.82698 1.83143 1.83869 1.84293 1.84924 1.85217 1.85257 1.86050 1.86791 1.87050 1.87265 1.88270 1.89038 1.89378 1.91047 1.92380 1.93446 1.93739 1.94710 1.95519 1.96173 1.96674 1.97331 1.98201 1.98332 2.00035 2.01143 2.01410 2.02510 2.03203 2.04083 2.04816 2.05634 2.06072 2.07089 2.07523 2.08296 2.08829 2.08966 2.09967 2.10900 2.12679 2.13770 2.15917 2.16641 2.17353 2.20195 2.20721 2.21810 2.23518 2.25087 2.25486 2.26147 2.27398 2.28059 2.28292 2.29086 2.30208 2.33281 2.35398 2.36302 2.37077 2.37853 2.38650 2.39347 2.40171 2.40524 2.41083 2.42112 2.43625 2.45347 2.46357 2.46865 2.48445 2.49966 2.50312 2.51172 2.51918 2.52604 2.54079 2.55617 2.59443 2.61942 2.62484 2.66758 2.67544 2.67607 2.67838 2.68659 2.69202 2.71055 2.71412 2.73228 2.74751 2.76394 2.79642 2.81044 2.81534 2.81921 2.82103 2.83722 2.84508 2.85758 2.86672 2.90458 2.90878 2.91203 2.92619 2.93854 2.94763 2.95757 2.97208 2.98506 2.98754 3.05472 3.07269 3.08998 3.10600 3.11034 3.11891 3.17798 3.20379 3.20681 3.21419 3.21684 3.24356 3.28947 3.32208 3.37953 3.38730 3.46854 3.49467 3.55562 3.67609 3.69159 3.74960 3.75509 18.95681 19.09126 19.26332 56.80542 -19.23585 -14.54652 -14.54581 -14.44321 -14.43929 -10.42147 -10.38113 -10.38031 -10.38024 -10.33943 -10.33460 -10.32428 -10.32126 -10.31631 -10.31366 -10.30722 -10.30372 -10.30256 -10.30100 -10.30022 -10.29972 -10.29736 -10.29709 -10.29655 -10.29113 -6.91091 -6.85140 -4.93022 -4.91977 -4.91963 -1.96432 -1.96117 -1.96105 -1.95216 -1.95214 -1.14639 -1.12263 -1.03633 -1.03339 -1.02534 -0.93851 -0.90234 -0.89390 -0.89126 -0.87039 -0.84349 -0.83075 -0.81372 -0.77615 -0.75709 -0.74846 -0.73319 -0.71971 -0.71614 -0.69599 -0.68868 -0.68268 -0.66054 -0.64061 -0.61567 -0.60859 -0.59399 -0.58938 -0.58440 -0.57876 -0.56505 -0.55611 -0.55455 -0.55135 -0.54317 -0.52412 -0.52048 -0.51881 -0.50487 -0.50133 -0.49536 -0.49344 -0.48720 -0.47773 -0.47505 -0.46854 -0.45463 -0.44728 -0.44469 -0.44005 -0.42013 -0.41491 -0.40307 -0.36780 -0.36369 -0.35796 -0.34925 -0.33995 -0.32864 -0.32705 -0.32174 -0.31649 -0.31133 -0.29332 -0.29149 -0.04553 -0.00564 0.01911 0.03200 0.04952 0.05498 0.05895 0.06639 0.08307 0.12011 0.13453 0.14475 0.15084 0.15589 0.16011 0.16555 0.16885 0.17880 0.19285 0.19879 0.20255 0.21505 0.21787 0.22679 0.22845 0.22962 0.23539 0.24087 0.24463 0.24622 0.25094 0.25917 0.27678 0.28875 0.30724 0.31631 0.31969 0.32856 0.34827 0.35276 0.35577 0.36172 0.36527 0.37032 0.37380 0.37561 0.38402 0.38800 0.39379 0.39853 0.39933 0.40440 0.41223 0.41933 0.42271 0.44420 0.45591 0.46221 0.46865 0.47150 0.47920 0.48816 0.49698 0.50198 0.50815 0.51479 0.51620 0.51990 0.52297 0.52657 0.53295 0.54132 0.54273 0.54354 0.55086 0.55181 0.55431 0.56252 0.56889 0.57530 0.57904 0.58540 0.58676 0.59855 0.60085 0.60392 0.60941 0.61630 0.62444 0.63236 0.64493 0.65280 0.65452 0.65888 0.66251 0.67267 0.67923 0.69045 0.69515 0.70013 0.70823 0.71233 0.71680 0.71736 0.72546 0.73462 0.73777 0.74004 0.74165 0.74863 0.75730 0.76210 0.76301 0.77188 0.77277 0.78040 0.78140 0.79153 0.79429 0.79579 0.80333 0.80692 0.81200 0.81974 0.82059 0.83002 0.83414 0.84187 0.84702 0.84944 0.85502 0.85821 0.86516 0.87509 0.87818 0.87981 0.88365 0.89541 0.90248 0.90681 0.91594 0.92810 0.93047 0.94720 0.95151 0.97015 0.98269 0.99606 1.00290 1.01772 1.02345 1.03063 1.03911 1.05487 1.05900 1.07433 1.08321 1.09939 1.11228 1.12839 1.13981 1.15052 1.16279 1.16680 1.18391 1.19207 1.19538 1.20397 1.21585 1.22804 1.23196 1.24446 1.25633 1.27583 1.28970 1.29602 1.29930 1.30602 1.31830 1.32112 1.32837 1.33319 1.34130 1.34337 1.35627 1.36050 1.36353 1.37677 1.38368 1.39295 1.40051 1.42197 1.42722 1.43466 1.44973 1.46355 1.48081 1.49141 1.49932 1.52708 1.53281 1.54611 1.56569 1.58330 1.59453 1.60423 1.61084 1.63011 1.64339 1.65877 1.66574 1.68442 1.73068 1.74511 1.76045 1.77072 1.77879 1.78495 1.78802 1.79340 1.79801 1.80627 1.81821 1.82410 1.82788 1.83466 1.84064 1.84402 1.85038 1.85252 1.85438 1.86185 1.87076 1.87428 1.87987 1.88609 1.89096 1.89561 1.91377 1.92406 1.93474 1.94356 1.94939 1.95803 1.96408 1.96896 1.97800 1.98346 1.98350 2.00154 2.01164 2.01844 2.03095 2.03534 2.04135 2.04981 2.05646 2.06100 2.07156 2.07590 2.08360 2.08882 2.09070 2.09998 2.10967 2.13751 2.14142 2.15931 2.16665 2.17567 2.20224 2.20729 2.21828 2.23555 2.25580 2.26113 2.26406 2.27469 2.28160 2.28614 2.29147 2.30373 2.33300 2.35432 2.36324 2.37591 2.38088 2.38656 2.39526 2.40747 2.41426 2.41746 2.42220 2.44640 2.45483 2.46370 2.47343 2.48449 2.49969 2.50314 2.51175 2.51924 2.52605 2.54088 2.55619 2.59446 2.62053 2.62881 2.66761 2.67548 2.67653 2.67843 2.68716 2.69290 2.71085 2.71417 2.74039 2.75552 2.76429 2.79649 2.81050 2.81613 2.82010 2.82135 2.83734 2.84519 2.85767 2.86675 2.90462 2.90885 2.91205 2.93846 2.94665 2.95130 2.95838 2.97257 2.98566 2.99152 3.05473 3.07271 3.09000 3.10607 3.11049 3.12733 3.17805 3.20384 3.20683 3.21483 3.22103 3.24357 3.29734 3.32208 3.37955 3.38731 3.46855 3.49468 3.55563 3.67609 3.69815 3.74961 3.75509 18.95717 19.09250 19.26371 56.80555 2-A. 0.2129 5.8882 -5.4610 8.0336 -156.8306 -152.8701 -176.2803 10.7549 5.5189 -12.2372 5.1630 9.1236 -14.2866 10.7549 5.5189 -12.2372 91.2024 178.7164 84.5075 -8.3270 -2.2886 -6.4841 -4.2680 20.0428 -25.8577 2.7692 -6875.2836 -3625.9924 -1598.7955 65.5503 210.9145 229.9385 -122.7342 70.6930 14.0064 -1750.8592 -1561.2089 -879.7750 -45.1402 26.3279 9.4368 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 449.9556699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,31,11,18,27,29,2;33,32,34,37,35,36/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(17,18)(19,20);(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.4,17.2,18.2,21.1;1.3,2.3,3.3,4.3,5.3,6.2/rA:42nC3O1B4C3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHIC3C3C3C3C2C3HHHHH/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s23;s27;s22s24;s29;s3;;s32;s33;s34;s35;s32s36;s32;s33;s34;s35;s37;/rC:-.5068,-1.9362,.3186;-.3414,-3.1062,.0336;-.7129,1.0427,.5367;-1.8063,-1.2558,.0135;.5501,-1.1718,1.0509;.4772,.2206,1.2186;-1.9753,.13,.1762;1.6343,-1.8741,1.5829;2.603,-1.1752,2.2864;2.4361,.2008,2.4435;1.4135,.8807,1.933;1.6955,-2.9524,1.4244;3.4739,-1.6774,2.7092;3.1696,.7806,3.0145;-4.2069,-.0463,-.3969;-4.1086,-1.4172,-.6379;-2.8844,-2.0329,-.4161;-3.1822,.7061,-.0062;-2.7381,-3.1059,-.5589;-5.1664,.4662,-.5265;-4.9795,-1.9818,-.9742;-1.1048,2.3527,1.3514;-2.2367,4.099,2.1361;-.978,4.1448,2.662;-3.0834,4.7643,2.27;-.5215,4.8578,3.3409;-2.2835,2.9814,1.336;-3.0437,2.5461,.79;-.3071,3.0537,2.1618;.6399,2.676,2.33;.081,1.8478,-1.4918;3.5386,-2.8757,-1.219;4.6173,-2.2155,-.6259;4.6226,-.8234,-.5145;3.5421,-.0736,-.9976;2.5097,-.7755,-1.5809;2.4504,-2.1458,-1.7154;3.5379,-3.9662,-1.2955;5.4625,-2.7932,-.2448;5.4692,-.3153,-.0448;3.5149,1.015,-.9059;1.5929,-2.6521,-2.1644; 0.000000 1.215526 0.000000 2.994037 4.195844 0.000000 1.498286 2.360203 2.598543 0.000000 1.495895 2.360501 2.600668 2.576023 0.000000 2.535775 3.625241 1.599035 2.974236 1.404354 0.000000 2.538912 3.628095 1.599008 1.405462 2.972773 2.666331 0.000000 2.487238 2.796764 3.887311 3.831797 1.397004 2.420620 4.361646 0.000000 3.757964 4.180183 4.356073 4.961302 2.396008 2.758209 5.207429 1.386324 0.000000 4.212201 4.945589 3.776286 5.101397 2.716651 2.310447 4.960441 2.385116 1.394949 0.000000 3.772147 4.752216 2.548959 4.314641 2.395061 1.350137 3.890234 2.785739 2.401368 1.329873 0.000000 2.665578 2.471227 4.748574 4.139031 2.149872 3.405095 4.953146 1.091611 2.173752 3.395555 3.876989 0.000000 4.650558 4.874119 5.444959 5.943472 3.399127 3.847707 6.275064 2.165982 1.090611 2.162267 3.375176 2.537524 0.000000 5.307039 6.026638 4.613193 6.157284 3.811696 3.284523 5.911792 3.384360 2.162406 1.095536 2.064844 4.316986 2.495477 0.000000 4.216010 4.948796 3.777049 2.719224 5.098242 4.962010 2.310768 6.432693 7.406043 7.228996 6.154414 6.826470 8.444113 8.169115 0.000000 3.762659 4.182805 4.354511 2.398135 4.961447 5.211334 2.758138 6.174238 7.325020 7.412542 6.510243 6.348043 8.292472 8.434586 1.395292 0.000000 2.490399 2.796603 3.883648 1.396684 3.832661 4.364670 2.419753 4.943599 6.176613 6.440029 5.699040 5.020758 7.093752 7.505670 2.386610 1.388208 0.000000 3.774267 4.754512 2.550594 2.396310 4.309725 3.889264 1.349704 5.690379 6.501031 6.149881 4.991095 6.262792 7.573475 7.033858 1.329998 2.401127 2.785441 0.000000 2.667733 2.468849 4.744742 2.149108 4.140582 4.956072 3.404808 5.022150 6.352219 6.835242 6.272002 4.859395 7.163077 7.923017 3.397678 2.176293 1.092246 3.877295 0.000000 5.310174 6.029652 4.614809 3.814063 6.152187 5.912266 3.284782 7.495001 8.424353 8.166300 7.036710 7.910632 9.472005 9.062322 1.095484 2.162959 3.386060 2.065259 4.319411 0.000000 4.656017 4.877692 5.443741 3.401723 5.944194 6.279610 3.848099 7.091666 8.293138 8.451907 7.583900 7.158952 9.226017 9.484064 2.162392 1.091004 2.168773 3.375171 2.541618 2.495603 0.000000 4.451859 5.667380 1.591599 3.911901 3.905207 2.658142 2.660702 5.041953 5.202641 4.284946 2.974296 5.999205 6.248943 4.848472 4.293613 5.214578 5.052148 2.978241 6.009354 4.856092 6.261703 0.000000 6.536028 7.741308 3.771023 5.776151 6.060078 4.821641 4.434250 7.139145 7.159716 6.093007 4.870508 8.104946 8.142817 6.404002 5.242280 6.451865 6.673300 4.122517 7.708670 5.372993 7.360155 2.224091 0.000000 6.534018 7.739020 3.769664 6.071859 5.761708 4.427245 4.826314 6.649498 6.423951 5.221022 4.111570 7.684405 7.329401 5.352124 6.111382 7.185113 7.160557 4.878830 8.126788 6.421922 8.171230 2.223912 1.364908 0.000000 7.439400 8.629380 4.740670 6.554738 7.065815 5.867540 5.204748 8.172913 8.222686 7.163796 5.951250 9.115942 9.202517 7.451452 5.614049 6.907807 7.311446 4.654087 8.370283 5.534707 7.722037 3.251906 1.085133 2.229335 0.000000 7.435929 8.625329 4.738614 7.077970 6.538167 5.196580 5.872059 7.283910 6.875348 5.589236 4.641424 8.341848 7.685721 5.509454 7.183584 8.250619 8.196307 5.959775 9.140061 7.471082 9.234319 3.251752 2.229180 1.085138 2.778261 0.000000 5.326824 6.521312 2.619952 4.464347 5.035813 3.905991 3.093678 6.243822 6.485219 5.588601 4.293801 7.144924 7.532428 6.115322 3.983687 5.155047 5.345473 2.790387 6.391541 4.255099 6.102312 1.336011 1.375246 2.194593 2.165886 3.262670 0.000000 5.172067 6.310663 2.785213 4.072949 5.177523 4.241268 2.712254 6.484646 6.926252 6.185699 4.893540 7.286742 8.000063 6.831621 3.079417 4.345181 4.737911 2.009735 5.818763 3.250353 5.230817 2.027845 2.207819 3.213634 2.666890 4.267581 1.032232 0.000000 5.323192 6.517285 2.617108 5.043204 4.452326 3.087196 3.908123 5.327916 5.134911 3.967771 2.781071 6.373923 6.081011 4.240480 5.600478 6.502127 6.257859 4.298518 7.159000 6.126487 7.551205 1.335806 2.194667 1.375153 3.262770 2.165885 2.143168 3.102957 0.000000 5.160709 6.298441 2.777257 5.177689 4.055751 2.700060 4.237946 4.716957 4.322819 3.060296 1.994690 5.797639 5.208360 3.234258 6.191807 6.936147 6.491128 4.893509 7.292852 6.837764 8.011818 2.026338 3.215169 2.210327 4.269382 2.670399 3.102822 3.994683 1.033344 0.000000 4.235847 5.200806 2.322415 3.931968 3.975401 3.186115 3.156210 5.071445 5.456591 4.872965 3.800081 5.844062 6.448867 5.566473 4.813832 5.379804 5.001078 3.762826 5.775547 5.511421 6.367289 3.121654 4.858109 4.863380 5.715837 5.725199 3.856484 3.931744 3.866966 3.950244 0.000000 4.428534 4.083697 6.042517 5.719383 4.121541 4.990176 6.433036 3.532790 4.006887 4.908594 5.344392 3.223377 4.107403 5.605974 8.287015 7.806757 6.527620 7.711621 6.315546 9.350155 8.568393 7.450098 9.656975 9.206018 10.695536 9.853108 8.644705 8.761304 7.834338 7.198533 5.860193 0.000000 5.217800 5.080985 6.354353 6.526228 4.521340 5.145598 7.043157 3.727403 3.690637 4.474014 5.137977 3.644565 3.566421 4.931957 9.089748 8.762319 7.506768 8.351668 7.409352 10.144996 9.605898 7.584133 9.719945 9.086868 10.789054 9.600657 8.858717 9.130653 7.732028 6.962941 6.151292 1.396826 0.000000 5.314389 5.491176 5.749310 6.465001 4.376860 4.612833 6.702086 3.799105 3.470938 3.818260 4.380956 4.106022 3.527155 4.139725 8.864415 8.752248 7.604412 7.969427 7.706595 9.873565 9.682621 6.809648 8.849000 8.132667 9.917550 8.579082 8.099051 8.475152 6.818775 6.016479 5.358818 2.425583 1.396579 0.000000 4.647003 5.034017 4.658853 5.569978 3.788679 3.793659 5.644502 3.679732 3.588858 3.624822 3.745708 4.190792 4.039427 4.118877 7.772277 7.776079 6.743583 6.841491 6.987665 8.737876 8.732606 5.744355 7.786183 7.184677 8.830608 7.723567 6.979687 7.309704 5.880278 5.201487 3.989414 2.810829 2.425244 1.401100 0.000000 3.748891 4.020875 4.263226 4.626034 3.305055 3.600095 4.901222 3.461660 3.889051 4.141772 4.036414 3.799114 4.488680 4.896391 6.858999 6.715845 5.659800 6.088639 5.832167 7.846995 7.609894 5.607837 7.752709 7.374033 8.763647 8.071287 6.752557 6.891665 6.050154 5.541085 3.576076 2.366584 2.725380 2.367305 1.377958 0.000000 3.595234 3.431541 5.024416 4.679797 3.494583 4.254615 5.323878 3.408616 4.120641 4.775210 4.852404 3.328418 4.565490 5.608231 7.103930 6.686751 5.491871 6.540642 5.401849 8.139500 7.468574 6.502314 8.706283 8.395686 9.708528 9.134949 7.616330 7.647011 7.047706 6.549178 4.648982 1.401241 2.426340 2.812346 2.449626 1.378116 0.000000 4.804716 4.189857 6.820211 6.133526 4.716074 5.763536 7.024214 4.035619 4.636178 5.705963 6.199144 3.438014 4.613072 6.422109 8.726669 8.086980 6.764352 8.285619 6.377392 9.798070 8.751403 8.275764 10.496115 10.091800 11.522853 10.762751 9.438344 9.490939 8.718669 8.103122 6.766951 1.093131 2.162941 3.415226 3.903930 3.364390 2.161667 0.000000 6.056694 5.818962 7.311635 7.434060 5.332841 6.006514 8.002656 4.340579 4.147490 5.034878 5.885174 4.123268 3.731694 5.352765 10.053130 9.677487 8.383144 9.329073 8.212544 11.120960 10.498804 8.494496 10.604142 9.902835 11.682129 10.353849 9.790045 10.096300 8.559533 7.732943 7.214909 2.158013 1.092408 2.158319 3.413322 3.817786 3.413843 2.486735 0.000000 6.202562 6.446609 6.356127 7.336260 5.111915 5.177262 7.461069 4.448178 3.793298 3.956966 4.668113 4.832547 3.663494 3.980992 9.686255 9.659218 8.536406 8.711528 8.683984 10.675127 10.621488 7.230785 9.144539 8.293746 10.213091 8.608800 8.536915 9.019695 7.041623 6.157039 5.983795 3.414932 2.162020 1.093389 2.163338 3.366061 3.905719 4.315479 2.486013 0.000000 5.136437 5.721742 4.467233 5.858064 4.171456 3.791110 5.665381 4.251791 3.977311 3.611746 3.534619 4.947742 4.507691 3.942506 7.811037 8.006593 7.104959 6.764301 7.496812 8.706905 9.007788 5.312821 7.200392 6.535482 8.226873 7.006744 6.520310 6.945267 5.307967 4.636295 3.581753 3.903363 3.424846 2.181679 1.092812 2.161508 3.432033 4.996431 4.328085 2.515985 0.000000 3.329592 2.962890 5.124890 4.271691 3.690130 4.576270 5.094127 3.827468 4.797041 5.484781 5.413159 3.602760 5.314161 6.410178 6.599370 6.030129 4.846206 6.223843 4.641235 7.621977 6.712824 6.684753 8.873393 8.723690 9.825237 9.548673 7.682164 7.566305 7.408219 7.035341 4.794567 2.174805 3.421201 3.904588 3.436483 2.168558 1.092423 2.502958 4.321872 4.997950 4.327342 0.000000 C20H15BIN4O(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 449.9556699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,31,11,18,27,29,2;33,32,34,37,35,36/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(17,18)(19,20);(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.4,17.2,18.2,21.1;1.3,2.3,3.3,4.3,5.3,6.2/rA:42nC3O1B4C3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHIC3C3C3C3C2C3HHHHH/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s23;s27;s22s24;s29;s3;;s32;s33;s34;s35;s32s36;s32;s33;s34;s35;s37;/rC:-.7183,-2.0447,-.9774;-1.5507,-2.9268,-1.0578;1.1558,.1835,-.2795;.6817,-2.3576,-.5451;-1.0487,-.6435,-1.3839;-.1826,.4298,-1.119;1.6216,-1.3462,-.2824;-2.2541,-.4082,-2.0496;-2.5535,.8838,-2.4534;-1.6216,1.8874,-2.1882;-.4759,1.6764,-1.5468;-2.9326,-1.2446,-2.2273;-3.4876,1.1191,-2.9648;-1.8145,2.9151,-2.5149;3.2623,-2.9294,.0933;2.3777,-3.992,-.0941;1.0639,-3.6961,-.4312;2.9043,-1.6514,.006;.3213,-4.475,-.6179;4.3149,-3.1258,.3246;2.7235,-5.0218,.0071;2.3247,1.1903,-.671;4.3381,2.0966,-.938;3.4105,3.0051,-1.3589;5.4211,2.1561,-.9042;3.5332,4.0054,-1.7613;3.6371,.9884,-.5237;3.9366,.0631,-.1778;2.1807,2.415,-1.1845;1.2195,2.7186,-1.4118;.6819,.6925,1.9363;-4.7565,-.8611,.4027;-5.1824,.4337,.0975;-4.3881,1.5363,.4199;-3.1522,1.3531,1.0539;-2.786,.0558,1.3393;-3.5272,-1.0676,1.0428;-5.38,-1.7197,.1401;-6.1438,.5846,-.3988;-4.7275,2.546,.1733;-2.5049,2.1985,1.3;-3.1751,-2.0765,1.2697; 0.2198355 0.1383386 0.1216507 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 53. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 490 490 490 490 490 MxSgAt= 42 MxSgA2= 42. 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. Defaulting to unpruned grid for atomic number 53. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 490 490 490 490 490 MxSgAt= 42 MxSgA2= 42. 1 0.7629 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 C O B C C C C C C C N H H H C C C N H H H C C C H H N H N H I C C C C C C H H H H H 13 17 11 13 13 13 13 13 13 13 14 1 1 1 13 13 13 14 1 1 1 13 13 13 1 1 14 1 14 1 127 13 13 13 13 13 13 1 1 1 1 1 -0.00006 0.00008 -0.00114 0.00022 -0.00012 0.00104 0.00150 0.00008 -0.00022 0.00011 -0.00029 -0.00001 0.00001 -0.00000 -0.00018 0.00021 -0.00011 0.00033 0.00001 0.00001 -0.00002 0.00063 0.00001 0.00011 0.00001 -0.00000 0.00015 -0.00001 0.00043 0.00002 0.00005 0.05760 -0.01198 0.05287 -0.00305 0.59231 0.00536 0.00200 0.00097 0.00206 0.00901 0.00991 -0.06341 -0.04707 -1.63740 0.24742 -0.13394 1.17236 1.68163 0.08519 -0.24528 0.11858 -0.09369 -0.03002 0.06670 -0.00631 -0.20705 0.24092 -0.12382 0.10797 0.04833 0.04275 -0.07388 0.70955 0.01034 0.12919 0.02473 -0.01120 0.04754 -0.04440 0.14020 0.08163 0.04653 64.75008 -13.46916 59.44067 -3.43104 665.86439 6.02200 8.94464 4.34250 9.19454 40.25649 44.27434 -0.02263 -0.01679 -0.58427 0.08829 -0.04779 0.41833 0.60005 0.03040 -0.08752 0.04231 -0.03343 -0.01071 0.02380 -0.00225 -0.07388 0.08596 -0.04418 0.03852 0.01725 0.01525 -0.02636 0.25318 0.00369 0.04610 0.00882 -0.00400 0.01696 -0.01584 0.05003 0.02913 0.01660 23.10444 -4.80613 21.20991 -1.22428 237.59697 2.14880 3.19167 1.54951 3.28084 14.36452 15.79819 -0.02115 -0.01570 -0.54618 0.08253 -0.04468 0.39106 0.56093 0.02842 -0.08182 0.03955 -0.03125 -0.01001 0.02225 -0.00211 -0.06907 0.08036 -0.04130 0.03601 0.01612 0.01426 -0.02464 0.23668 0.00345 0.04309 0.00825 -0.00374 0.01586 -0.01481 0.04677 0.02723 0.01552 21.59830 -4.49283 19.82727 -1.14447 222.10845 2.00872 2.98361 1.44850 3.06697 13.42812 14.76833 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 0.000845 0.000047 0.002940 0.000354 0.000588 0.001536 0.002593 -0.001019 -0.001438 -0.002384 -0.001790 -0.000564 -0.001154 -0.002108 0.001192 0.000074 0.001045 -0.000188 0.000489 0.000583 0.000504 0.000019 0.000120 -0.000625 -0.000052 -0.000585 0.000026 0.000531 0.000037 -0.001346 0.031857 0.027304 0.012273 0.029307 -0.008259 0.596417 0.012742 0.001427 -0.000006 -0.001539 -0.010236 -0.007626 -0.000001 -0.000121 -0.002389 -0.001203 0.000218 -0.003021 -0.000908 0.000655 0.000792 -0.001904 -0.003947 0.000944 0.000581 -0.001618 -0.000095 -0.000910 -0.000013 -0.001946 -0.000125 -0.000317 -0.000280 -0.001711 0.000571 0.000320 0.000288 0.000564 -0.000298 -0.000266 0.000964 -0.000908 -0.015041 -0.032923 0.009749 -0.032439 0.020083 -0.495176 0.050765 0.003472 0.000999 0.000551 0.012183 0.017328 -0.000844 0.000074 -0.000551 0.000849 -0.000806 0.001485 -0.001684 0.000364 0.000646 0.004288 0.005737 -0.000380 0.000573 0.003726 -0.001097 0.000835 -0.001032 0.002135 -0.000364 -0.000266 -0.000224 0.001692 -0.000692 0.000304 -0.000236 0.000021 0.000272 -0.000266 -0.001001 0.002254 -0.016816 0.005619 -0.022021 0.003132 -0.011823 -0.101241 -0.063506 -0.004899 -0.000993 0.000988 -0.001947 -0.009702 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 -0.001297 -0.001057 0.000534 -0.000773 -0.001990 -0.000328 -0.000630 -0.001293 -0.000364 -0.000287 0.000115 -0.000857 0.000047 0.000106 -0.000095 -0.000257 -0.000491 0.000050 -0.000456 0.000043 -0.000199 0.001222 0.000700 0.000620 0.000500 0.000392 0.001076 0.000758 0.001691 0.000859 0.010895 0.003924 0.016633 -0.008726 -0.008268 0.081089 0.076080 0.007543 0.000795 -0.004187 -0.001272 0.009320 -0.000925 -0.000857 -0.002335 -0.000831 -0.001585 -0.004946 -0.000601 -0.001175 -0.000139 -0.001177 -0.003047 -0.000493 0.000036 0.000734 -0.000423 -0.000394 -0.000233 -0.001200 -0.000188 -0.000234 -0.000114 -0.002161 -0.000340 -0.000813 -0.000270 -0.000285 -0.000443 -0.000704 -0.000547 -0.001633 0.004202 0.017867 0.036261 0.015229 0.065806 0.545989 0.044246 0.000472 0.001410 0.004256 0.001270 -0.002107 0.000656 0.000553 -0.000422 0.000493 0.001944 0.001873 -0.000091 0.002105 0.002491 0.002812 0.001617 0.001098 0.001797 0.001562 -0.000086 0.000268 0.000059 0.000515 0.000128 -0.000022 0.000037 -0.001324 -0.000751 -0.000838 -0.000434 -0.001054 -0.000615 -0.000510 -0.002557 -0.002484 0.000824 0.020792 -0.023722 0.013356 -0.080795 0.111908 -0.024393 0.000367 -0.001368 -0.005793 -0.015189 -0.008121 0.3034 -0.1746 0.9367 0.5755 0.8171 -0.0341 0.7595 -0.5494 -0.3484 -0.0013 -9.0E-4 0.0022 -0.17 -0.126 0.296 -0.061 -0.045 0.106 -0.057 -0.042 0.099 1 C 13 0.7346 0.6392 0.2276 0.2187 -0.5406 0.8124 0.6423 -0.547 -0.5369 -0.0011 -5.0E-4 0.0017 0.082 0.038 -0.12 0.029 0.014 -0.043 0.027 0.013 -0.04 2 O 17 -0.0086 0.979 0.2038 0.4589 -0.1772 0.8706 0.8885 0.101 -0.4477 -0.0025 -0.0017 0.0042 -0.425 -0.29 0.715 -0.152 -0.104 0.255 -0.142 -0.097 0.239 3 B 11 0.3516 0.9335 -0.0705 0.7106 -0.2171 0.6693 -0.6095 0.2854 0.7396 -0.0015 -2.0E-4 0.0017 -0.205 -0.026 0.231 -0.073 -0.009 0.083 -0.069 -0.009 0.077 4 C 13 0.0316 -0.5943 0.8036 0.7793 0.5181 0.3525 0.6259 -0.6151 -0.4795 -0.0023 -0.0015 0.0038 -0.309 -0.195 0.504 -0.11 -0.07 0.18 -0.103 -0.065 0.168 5 C 13 -0.4497 0.6724 -0.588 0.5701 0.7228 0.3905 -0.6876 0.1596 0.7084 -0.0044 -0.0023 0.0067 -0.596 -0.304 0.9 -0.213 -0.109 0.321 -0.199 -0.102 0.3 6 C 13 0.1621 0.212 0.9637 0.1307 0.9634 -0.2339 0.9781 -0.1639 -0.1284 -0.0018 -0.001 0.0028 -0.242 -0.13 0.373 -0.086 -0.047 0.133 -0.081 -0.043 0.124 7 C 13 0.9146 0.3837 0.1277 0.1556 -0.6254 0.7647 -0.3733 0.6795 0.6316 -0.0017 -0.0016 0.0033 -0.232 -0.214 0.446 -0.083 -0.076 0.159 -0.077 -0.071 0.149 8 C 13 0.3818 0.663 -0.6439 0.9211 -0.2154 0.3243 -0.0763 0.717 0.6929 -0.0018 -0.0014 0.0032 -0.247 -0.188 0.435 -0.088 -0.067 0.155 -0.082 -0.063 0.145 9 C 13 -0.3068 0.8711 -0.3835 0.9399 0.3407 0.0218 -0.1497 0.3538 0.9233 -0.003 -0.0025 0.0056 -0.408 -0.338 0.746 -0.146 -0.12 0.266 -0.136 -0.113 0.249 10 C 13 -0.3216 0.9153 -0.2423 0.8903 0.3795 0.2517 -0.3224 0.1348 0.937 -0.0044 -0.0026 0.007 -0.17 -0.1 0.271 -0.061 -0.036 0.097 -0.057 -0.033 0.09 11 N 14 0.1291 -0.4438 0.8868 0.9217 0.3835 0.0578 -0.3657 0.8099 0.4586 -0.001 -0.001 0.002 -0.534 -0.508 1.042 -0.191 -0.181 0.372 -0.178 -0.169 0.347 12 H 1 -0.1178 0.7028 -0.7016 0.9929 0.0716 -0.095 0.0166 0.7078 0.7062 -0.0012 -0.0012 0.0024 -0.651 -0.616 1.267 -0.232 -0.22 0.452 -0.217 -0.205 0.423 13 H 1 0.903 0.3752 -0.2095 -0.414 0.8903 -0.1898 0.1153 0.2581 0.9592 -0.0022 -0.002 0.0042 -1.192 -1.067 2.259 -0.425 -0.381 0.806 -0.398 -0.356 0.754 14 H 1 0.1784 0.0928 0.9796 0.0402 0.994 -0.1014 0.9831 -0.0575 -0.1736 -0.0012 -1.0E-4 0.0013 -0.159 -0.012 0.171 -0.057 -0.004 0.061 -0.053 -0.004 0.057 15 C 13 0.1988 0.9749 -0.1004 0.8934 -0.1382 0.4274 -0.4028 0.1746 0.8985 -0.001 -1.0E-4 0.0011 -0.133 -0.01 0.143 -0.047 -0.004 0.051 -0.044 -0.003 0.048 16 C 13 0.109 -0.0047 0.994 0.3599 0.9323 -0.035 0.9266 -0.3616 -0.1033 -0.0011 -2.0E-4 0.0013 -0.142 -0.028 0.169 -0.051 -0.01 0.06 -0.047 -0.009 0.057 17 C 13 -0.129 0.979 -0.158 0.9153 0.1788 0.361 -0.3817 0.098 0.9191 -0.002 -7.0E-4 0.0027 -0.079 -0.025 0.104 -0.028 -0.009 0.037 -0.026 -0.008 0.035 18 N 14 -0.0416 -0.4514 0.8914 0.502 0.7619 0.4093 0.8639 -0.4644 -0.1949 -4.0E-4 -4.0E-4 8.0E-4 -0.224 -0.19 0.414 -0.08 -0.068 0.148 -0.075 -0.063 0.138 19 H 1 0.1744 0.587 0.7906 -0.1849 0.8081 -0.5592 0.9672 0.0486 -0.2495 -3.0E-4 -3.0E-4 6.0E-4 -0.178 -0.166 0.345 -0.064 -0.059 0.123 -0.06 -0.055 0.115 20 H 1 0.2172 0.9706 -0.1038 0.1688 0.0674 0.9833 0.9614 -0.2312 -0.1492 -3.0E-4 -2.0E-4 6.0E-4 -0.175 -0.129 0.304 -0.063 -0.046 0.108 -0.058 -0.043 0.101 21 H 1 -0.3859 0.9177 0.0941 0.7407 0.2475 0.6246 -0.5499 -0.3107 0.7753 -0.0024 -0.0014 0.0038 -0.317 -0.187 0.504 -0.113 -0.067 0.18 -0.106 -0.062 0.168 22 C 13 0.0151 0.4165 0.909 0.8536 -0.4788 0.2052 0.5207 0.7728 -0.3628 -0.001 -4.0E-4 0.0014 -0.14 -0.048 0.187 -0.05 -0.017 0.067 -0.047 -0.016 0.062 23 C 13 0.8913 -0.1318 0.4338 -0.1851 0.7677 0.6135 -0.4139 -0.6272 0.6598 -0.0011 -5.0E-4 0.0016 -0.149 -0.067 0.216 -0.053 -0.024 0.077 -0.05 -0.022 0.072 24 C 13 -0.0912 0.5335 0.8409 0.8488 -0.3999 0.3458 0.5208 0.7453 -0.4164 -5.0E-4 -4.0E-4 9.0E-4 -0.257 -0.212 0.469 -0.092 -0.076 0.167 -0.086 -0.071 0.156 25 H 1 -0.1403 0.6308 0.7632 0.9638 -0.0895 0.2512 0.2267 0.7708 -0.5954 -8.0E-4 -7.0E-4 0.0015 -0.426 -0.371 0.797 -0.152 -0.132 0.284 -0.142 -0.124 0.266 26 H 1 -0.6105 0.78 0.1378 0.5016 0.2461 0.8293 0.6129 0.5754 -0.5415 -0.0012 -2.0E-4 0.0014 -0.048 -0.007 0.055 -0.017 -0.002 0.02 -0.016 -0.002 0.018 27 N 14 -0.1386 0.7921 0.5945 0.6418 -0.3853 0.6631 0.7543 0.4734 -0.4549 -8.0E-4 -7.0E-4 0.0014 -0.417 -0.347 0.764 -0.149 -0.124 0.273 -0.139 -0.116 0.255 28 H 1 -0.2074 0.6049 0.7689 0.8739 -0.2387 0.4235 0.4396 0.7597 -0.4791 -0.0029 -7.0E-4 0.0036 -0.11 -0.027 0.137 -0.039 -0.009 0.049 -0.037 -0.009 0.046 29 N 14 0.0927 0.8585 0.5043 0.9448 -0.2357 0.2275 -0.3142 -0.4554 0.833 -0.0023 -0.002 0.0042 -1.213 -1.042 2.256 -0.433 -0.372 0.805 -0.405 -0.348 0.752 30 H 1 -0.2301 0.9222 0.3109 -0.0097 -0.3216 0.9468 0.9731 0.2149 0.0829 -0.0175 -0.0171 0.0346 -1.879 -1.842 3.721 -0.671 -0.657 1.328 -0.627 -0.615 1.241 31 I 127 0.0556 0.9079 -0.4155 -0.5747 0.3694 0.7303 0.8165 0.1982 0.5422 -0.0422 0.0021 0.0401 -5.663 0.279 5.384 -2.021 0.099 1.921 -1.889 0.093 1.796 32 C 13 -0.4963 0.3956 0.7728 0.131 0.9141 -0.3838 0.8582 0.0892 0.5055 -0.0575 0.0221 0.0354 -7.71 2.965 4.745 -2.751 1.058 1.693 -2.572 0.989 1.583 33 C 13 0.1947 0.914 -0.3559 -0.3555 0.4039 0.8429 0.9142 -0.0376 0.4035 -0.0395 0.0031 0.0364 -5.3 0.417 4.883 -1.891 0.149 1.742 -1.768 0.139 1.629 34 C 13 -0.4786 0.4583 0.7489 0.7749 0.6216 0.1148 0.4129 -0.6353 0.6526 -0.1033 -0.0051 0.1085 -13.864 -0.69 14.554 -4.947 -0.246 5.193 -4.625 -0.23 4.855 35 C 13 0.1258 0.9099 -0.3953 -0.4737 0.4053 0.7819 0.8716 0.0889 0.482 -0.5326 -0.3741 0.9066 -71.468 -50.195 121.663 -25.502 -17.911 43.412 -23.839 -16.743 40.582 36 C 13 -0.5252 0.3742 0.7643 0.5751 -0.5059 0.6429 0.6272 0.7772 0.0505 -0.1059 -0.0047 0.1106 -14.204 -0.634 14.838 -5.068 -0.226 5.295 -4.738 -0.212 4.95 37 C 13 0.7092 -0.6006 -0.3692 0.2543 -0.2706 0.9285 0.6576 0.7523 0.0392 -0.0052 -0.0049 0.0101 -2.779 -2.602 5.381 -0.991 -0.928 1.92 -0.927 -0.868 1.795 38 H 1 -0.519 0.395 0.758 0.8516 0.162 0.4986 0.0741 0.9043 -0.4205 -0.0027 0.001 0.0017 -1.425 0.518 0.907 -0.508 0.185 0.324 -0.475 0.173 0.303 39 H 1 0.1476 0.763 0.6293 0.8712 0.2009 -0.4479 0.4682 -0.6144 0.6351 -0.005 -0.0047 0.0097 -2.688 -2.503 5.191 -0.959 -0.893 1.852 -0.897 -0.835 1.732 40 H 1 -0.2638 0.507 0.8206 0.963 0.1865 0.1944 -0.0544 0.8415 -0.5374 -0.0117 -0.0102 0.022 -6.264 -5.456 11.72 -2.235 -1.947 4.182 -2.089 -1.82 3.909 41 H 1 8.37581929e-02 2.31660253e+00 -2.14851611e+00 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 6 8 5 6 6 6 6 6 6 6 7 1 1 1 6 6 6 7 1 1 1 6 6 6 1 1 7 1 7 1 53 6 6 6 6 6 6 1 1 1 1 1 -0.001517452 -0.006884445 -0.001451161 0.001258640 0.006664592 0.001372550 -0.010689338 -0.029118047 0.014647372 0.002696262 0.002930942 0.000010656 -0.000629121 0.003575377 -0.000986533 0.001683787 -0.002501619 0.005657639 -0.005290387 -0.001659175 0.004175062 0.000617459 0.000288021 -0.000000685 -0.000353651 0.001570191 -0.000172809 0.004132914 -0.002008165 0.002005414 -0.004653744 0.006672347 -0.001125412 -0.000030573 0.000320966 0.000142421 -0.000502300 0.000581398 0.000014330 -0.000709952 -0.000363956 -0.000360864 -0.005578162 0.000070341 -0.000586032 0.001111162 0.001106812 0.000265021 -0.000632124 0.000567033 -0.000308125 0.007413738 0.004536725 0.000905782 0.000054811 0.000303651 0.000123985 0.000695170 -0.000793759 -0.000098455 0.000725955 0.000429771 0.000164396 0.049419012 0.075860379 -0.119527054 -0.008633960 0.005204879 -0.027682045 0.023069604 -0.005908611 -0.021785355 -0.000333168 -0.001720410 0.001108757 -0.001043036 -0.001556472 0.001399942 0.037120024 -0.039550476 0.101155294 -0.012969019 -0.006358313 -0.013112360 -0.096060863 -0.005935974 0.067317013 0.014693182 -0.012814479 -0.006041295 0.001293565 0.006181310 -0.005369343 -0.000327508 0.000338565 0.000213834 -0.000359810 0.000484710 0.000191939 0.000209912 0.000740333 0.001120510 -0.000978340 -0.002139456 -0.000331937 0.003092654 -0.000107831 0.001535191 -0.001238294 -0.000420963 -0.000963143 -0.000456284 0.000639070 -0.000205235 -0.000543694 0.000307486 -0.000472234 0.000418801 -0.000188961 -0.000277235 0.003429837 0.000442973 -0.002660792 0.000394293 0.000213240 -0.000009001 0.119527054 0.020680400 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l716.exe) 0.7628 0.7623 0.7622 0.7622 0.7623 0.7622 0.7623 0.7626 0.7626 0.7626 0.7628 0.7628 0.7627 0.7627 0.7627 0.7627 0.7627 0.7627 0.7626 0.7626 0.7626 0.7626 0.7626 0.7626 0.7626 0.7626 0.7626 0.7626 0.7626 0.7626 0.7626 0.7626 0.7625 0.7626 0.7626 0.7626 0.7626 0.7626 0.7626 0.7626 0.7622 0.7625 0.7625 0.7624 0.7623 0.7624 0.7624 0.7623 0.7623 0.7623 0.7623 0.7623 0.7623 0.7623 0.7623 0.7623 0.7623 open 1 1 1 -1386.89403519943 -1386.89403552276 -0.000000323330 -1386.89403553736 -0.000000014606 -1386.89403553879 -0.000000001427 -1386.89403553919 -0.000000000398 -1386.89403553923 -0.000000000044 -1386.89403553928 -0.000000000049 -1386.89403554 7 0.7623 1.191299163558e+03 -8.502885129975e+03 3.253267385762e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572365918 LenY= 1572122376 Requested convergence on RMS density matrix=1.00D-08 within 32 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. 0.7623 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l716.exe) 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 C O B C C C C C C C N H H H C C C N H H H C C C H H N H N H I C C C C C C H H H H H 13 17 11 13 13 13 13 13 13 13 14 1 1 1 13 13 13 14 1 1 1 13 13 13 1 1 14 1 14 1 127 13 13 13 13 13 13 1 1 1 1 1 0.00025 -0.00031 -0.00053 -0.00006 0.00065 0.00033 0.00005 0.00018 -0.00035 0.00030 -0.00043 -0.00003 0.00002 -0.00002 0.00002 -0.00002 0.00002 0.00007 -0.00000 -0.00000 0.00000 0.00095 -0.00002 0.00004 0.00000 -0.00000 0.00005 -0.00000 0.00001 -0.00000 0.00002 0.05965 -0.01248 0.05600 0.00126 0.55860 0.00688 0.00221 0.00107 0.00219 0.00988 0.01024 0.28360 0.18976 -0.75362 -0.06473 0.73447 0.36729 0.05788 0.20337 -0.39059 0.34278 -0.13737 -0.13942 0.08242 -0.11169 0.02582 -0.02749 0.01809 0.02319 -0.00477 -0.00311 0.01041 1.07300 -0.02106 0.04834 0.00445 -0.00772 0.01649 -0.01040 0.00281 -0.00400 0.01835 67.05257 -14.02545 62.95647 1.42059 627.97682 7.73048 9.86563 4.77778 9.78138 44.15726 45.76837 0.10119 0.06771 -0.26891 -0.02310 0.26208 0.13106 0.02065 0.07257 -0.13937 0.12231 -0.04902 -0.04975 0.02941 -0.03985 0.00921 -0.00981 0.00645 0.00827 -0.00170 -0.00111 0.00371 0.38287 -0.00751 0.01725 0.00159 -0.00275 0.00589 -0.00371 0.00100 -0.00143 0.00655 23.92603 -5.00463 22.46443 0.50690 224.07774 2.75843 3.52030 1.70483 3.49024 15.75641 16.33129 0.09460 0.06330 -0.25138 -0.02159 0.24499 0.12252 0.01931 0.06784 -0.13029 0.11434 -0.04582 -0.04651 0.02749 -0.03726 0.00861 -0.00917 0.00603 0.00774 -0.00159 -0.00104 0.00347 0.35791 -0.00702 0.01612 0.00148 -0.00258 0.00550 -0.00347 0.00094 -0.00133 0.00612 22.36633 -4.67839 21.00002 0.47386 209.47052 2.57861 3.29082 1.59369 3.26272 14.72928 15.26669 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 -0.001047 -0.001268 0.002856 0.000776 -0.001795 0.001978 0.001599 -0.002971 -0.001636 -0.002048 -0.000214 -0.001983 -0.001311 -0.001066 0.000570 0.000392 0.000164 0.001204 -0.000210 0.000458 0.000166 0.001253 0.000555 0.000294 0.000383 0.000185 0.000556 0.000919 0.000457 0.000266 0.017707 0.034847 0.016263 0.029633 -0.002873 0.636340 0.027651 0.002219 0.000316 -0.001828 -0.010779 -0.007444 -0.000142 0.001817 -0.002048 -0.000101 -0.003204 -0.004483 -0.001057 -0.003736 -0.001100 -0.001530 -0.000109 -0.001602 -0.001027 0.000031 -0.000187 0.000188 0.000326 -0.000307 0.000658 -0.000137 0.000152 -0.000834 -0.000264 -0.000216 -0.000206 -0.000059 -0.000807 -0.000549 -0.000374 -0.000241 -0.007859 -0.043564 0.021982 -0.038444 0.077195 -0.513760 0.044965 0.001689 0.001624 0.005726 0.022374 0.019178 0.001189 -0.000550 -0.000809 -0.000676 0.004999 0.002506 -0.000542 0.006707 0.002736 0.003578 0.000324 0.003585 0.002338 0.001035 -0.000383 -0.000580 -0.000490 -0.000897 -0.000448 -0.000321 -0.000319 -0.000419 -0.000290 -0.000078 -0.000176 -0.000125 0.000251 -0.000370 -0.000083 -0.000025 -0.009848 0.008717 -0.038245 0.008811 -0.074322 -0.122581 -0.072616 -0.003907 -0.001940 -0.003897 -0.011594 -0.011734 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 -0.002171 -0.000492 0.000413 -0.001746 -0.000829 0.000742 -0.001093 -0.000205 0.000065 0.000206 0.001529 0.000360 -0.000169 0.000224 -0.000610 -0.000717 -0.001094 -0.000577 -0.000859 -0.000401 -0.000504 0.000821 0.000285 0.000432 0.000179 0.000347 0.000196 -0.000065 0.000697 0.000844 0.007725 -0.006519 0.000521 -0.016614 -0.039549 -0.180963 0.055486 0.007062 0.000158 -0.005850 -0.001109 0.010287 -0.002583 0.000270 -0.002214 -0.001459 -0.003598 -0.006143 -0.001494 -0.001767 0.000560 -0.001921 -0.000866 0.000390 0.000715 -0.000449 -0.000311 -0.000236 -0.000605 -0.000521 -0.000418 -0.000152 -0.000151 -0.001153 -0.000361 -0.000393 -0.000222 -0.000289 -0.000686 -0.000507 -0.000733 -0.000941 0.000498 0.018089 0.037396 0.014718 0.055771 0.517170 0.068525 0.003436 0.001596 0.002152 0.000634 0.001813 0.003135 0.001975 -0.000105 0.001270 0.002113 -0.000700 0.000734 0.001495 -0.001598 -0.001537 -0.002580 0.002020 -0.000811 -0.001580 0.000169 0.000263 0.000651 0.000244 0.000691 0.000084 0.000161 -0.000383 -0.000185 -0.000160 -0.000066 -0.000216 0.000182 0.000037 -0.000402 -0.000785 0.000118 -0.000411 -0.005337 -0.005353 -0.036646 -0.079578 0.020510 0.003121 -0.000234 -0.003798 -0.003627 0.003767 0.8236 0.5595 0.0932 0.3326 -0.6094 0.7197 -0.4595 0.5617 0.688 -0.0028 -0.0027 0.0055 -0.378 -0.357 0.735 -0.135 -0.127 0.262 -0.126 -0.119 0.245 1 C 13 -0.56 -0.4372 0.7038 0.8255 -0.2222 0.5188 -0.0704 0.8715 0.4853 -0.002 -0.001 0.003 0.144 0.07 -0.214 0.051 0.025 -0.076 0.048 0.023 -0.071 2 O 17 -0.1901 0.9498 -0.2485 0.3851 0.305 0.871 0.9031 0.0699 -0.4238 -0.0021 -0.0018 0.0039 -0.36 -0.312 0.672 -0.128 -0.111 0.24 -0.12 -0.104 0.224 3 B 11 0.102 -0.549 0.8296 0.7104 0.624 0.3256 0.6964 -0.5561 -0.4536 -0.0017 -0.0014 0.0031 -0.227 -0.191 0.419 -0.081 -0.068 0.149 -0.076 -0.064 0.14 4 C 13 -0.094 0.958 -0.2709 0.9181 0.1886 0.3487 -0.3851 0.2159 0.8972 -0.0037 -0.0033 0.0071 -0.499 -0.447 0.946 -0.178 -0.16 0.338 -0.167 -0.149 0.316 5 C 13 -0.1105 0.9939 0.0024 0.7155 0.0779 0.6943 -0.6899 -0.0784 0.7197 -0.0046 -0.0039 0.0085 -0.613 -0.524 1.137 -0.219 -0.187 0.406 -0.204 -0.175 0.379 6 C 13 0.0283 0.8346 -0.5502 0.5465 0.448 0.7076 0.837 -0.3207 -0.4434 -0.0016 -0.0012 0.0028 -0.212 -0.165 0.377 -0.076 -0.059 0.135 -0.071 -0.055 0.126 7 C 13 -0.0622 0.9869 -0.1488 0.9832 0.0862 0.161 -0.1717 0.1363 0.9757 -0.0039 -0.0033 0.0072 -0.53 -0.44 0.97 -0.189 -0.157 0.346 -0.177 -0.147 0.323 8 C 13 0.71 -0.6358 -0.3027 0.6969 0.6959 0.1732 0.1006 -0.334 0.9372 -0.0019 -0.0014 0.0034 -0.259 -0.192 0.452 -0.093 -0.069 0.161 -0.087 -0.064 0.151 9 C 13 0.8938 0.2887 0.3431 -0.352 0.9258 0.1379 -0.2778 -0.244 0.9291 -0.0027 -0.0018 0.0046 -0.365 -0.247 0.611 -0.13 -0.088 0.218 -0.122 -0.082 0.204 10 C 13 -0.2726 0.7633 0.5857 0.8665 -0.0697 0.4942 -0.4181 -0.6423 0.6424 -0.0026 -8.0E-4 0.0035 -0.102 -0.032 0.134 -0.036 -0.011 0.048 -0.034 -0.011 0.045 11 N 14 -0.477 0.8418 -0.2526 0.8755 0.43 -0.2205 0.077 0.3263 0.9421 -0.0024 -0.0019 0.0043 -1.287 -1.016 2.303 -0.459 -0.363 0.822 -0.429 -0.339 0.768 12 H 1 0.9831 0.0607 -0.1727 -0.0203 0.9738 0.2266 0.1819 -0.2193 0.9585 -0.0014 -0.0012 0.0027 -0.772 -0.647 1.419 -0.276 -0.231 0.506 -0.258 -0.216 0.473 13 H 1 0.7285 0.4838 0.485 0.6691 -0.6545 -0.352 -0.1471 -0.581 0.8005 -0.0012 -0.001 0.0023 -0.649 -0.559 1.208 -0.231 -0.2 0.431 -0.216 -0.187 0.403 14 H 1 0.4978 0.8654 0.0582 0.187 -0.1726 0.9671 0.8469 -0.4705 -0.2477 -5.0E-4 -5.0E-4 0.001 -0.071 -0.063 0.134 -0.025 -0.023 0.048 -0.024 -0.021 0.045 15 C 13 0.0284 -0.274 0.9613 0.6772 0.7126 0.1831 0.7352 -0.6458 -0.2058 -7.0E-4 -4.0E-4 0.0011 -0.089 -0.057 0.146 -0.032 -0.02 0.052 -0.03 -0.019 0.049 16 C 13 0.7367 0.6761 0.0151 0.2437 -0.2862 0.9267 -0.6308 0.679 0.3756 -9.0E-4 -8.0E-4 0.0017 -0.114 -0.114 0.228 -0.041 -0.041 0.081 -0.038 -0.038 0.076 17 C 13 0.1779 -0.1817 0.9671 0.3499 0.9303 0.1104 0.9197 -0.3188 -0.229 -0.001 -5.0E-4 0.0015 -0.04 -0.019 0.059 -0.014 -0.007 0.021 -0.013 -0.006 0.02 18 N 14 0.0738 -0.3958 0.9154 0.872 0.4709 0.1334 -0.4839 0.7884 0.3799 -8.0E-4 -7.0E-4 0.0015 -0.416 -0.394 0.81 -0.149 -0.14 0.289 -0.139 -0.131 0.27 19 H 1 -0.0507 -0.4421 0.8955 0.4727 0.7793 0.4115 0.8798 -0.4442 -0.1695 -4.0E-4 -3.0E-4 7.0E-4 -0.189 -0.179 0.368 -0.067 -0.064 0.131 -0.063 -0.06 0.123 20 H 1 -0.0908 -0.3735 0.9232 0.7134 0.6224 0.322 0.6949 -0.6878 -0.2099 -4.0E-4 -3.0E-4 7.0E-4 -0.197 -0.182 0.379 -0.07 -0.065 0.135 -0.066 -0.061 0.126 21 H 1 -0.3703 0.923 -0.1046 0.368 0.2492 0.8958 0.8529 0.2932 -0.4319 -0.0011 -0.001 0.0021 -0.15 -0.134 0.284 -0.054 -0.048 0.101 -0.05 -0.045 0.095 22 C 13 0.141 0.5423 0.8283 -0.4373 0.7847 -0.4394 0.8882 0.3002 -0.3478 -5.0E-4 -3.0E-4 8.0E-4 -0.063 -0.043 0.106 -0.023 -0.015 0.038 -0.021 -0.014 0.035 23 C 13 -0.5644 0.7902 -0.2387 0.2559 0.4424 0.8595 0.7848 0.424 -0.452 -5.0E-4 -3.0E-4 8.0E-4 -0.064 -0.037 0.101 -0.023 -0.013 0.036 -0.021 -0.012 0.034 24 C 13 -0.0471 0.8397 0.5411 0.407 -0.4785 0.778 0.9122 0.2568 -0.3192 -3.0E-4 -3.0E-4 5.0E-4 -0.138 -0.134 0.272 -0.049 -0.048 0.097 -0.046 -0.045 0.091 25 H 1 -0.1974 0.779 0.5951 0.6547 -0.3472 0.6715 0.7297 0.5221 -0.4415 -3.0E-4 -3.0E-4 6.0E-4 -0.166 -0.158 0.324 -0.059 -0.056 0.116 -0.055 -0.053 0.108 26 H 1 -0.259 0.9199 -0.2946 0.5666 0.3917 0.725 0.7823 0.0209 -0.6226 -9.0E-4 -2.0E-4 0.0011 -0.036 -0.007 0.043 -0.013 -0.003 0.015 -0.012 -0.002 0.014 27 N 14 -0.1693 0.7855 -0.5952 0.2836 0.6172 0.7339 0.9439 -0.0445 -0.3273 -6.0E-4 -5.0E-4 0.0011 -0.3 -0.286 0.586 -0.107 -0.102 0.209 -0.1 -0.095 0.195 28 H 1 -0.5147 0.856 -0.0481 0.4126 0.2965 0.8613 0.7516 0.4235 -0.5058 -8.0E-4 -6.0E-4 0.0013 -0.03 -0.022 0.052 -0.011 -0.008 0.018 -0.01 -0.007 0.017 29 N 14 -0.0957 0.7982 0.5947 0.7535 -0.3323 0.5673 0.6504 0.5024 -0.5697 -9.0E-4 -8.0E-4 0.0017 -0.495 -0.434 0.929 -0.177 -0.155 0.332 -0.165 -0.145 0.31 30 H 1 -0.2684 0.9548 0.1276 0.0178 -0.1275 0.9917 0.9631 0.2684 0.0172 -0.01 -0.0099 0.0199 -1.076 -1.059 2.136 -0.384 -0.378 0.762 -0.359 -0.353 0.712 31 I 127 0.0873 0.9959 -0.0221 -0.4474 0.059 0.8924 0.8901 -0.068 0.4507 -0.0441 -4.0E-4 0.0445 -5.921 -0.051 5.972 -2.113 -0.018 2.131 -1.975 -0.017 1.992 32 C 13 -0.4513 0.0627 0.8902 0.1578 0.9874 0.0105 0.8783 -0.1452 0.4555 -0.0576 0.022 0.0356 -7.726 2.953 4.773 -2.757 1.054 1.703 -2.577 0.985 1.592 33 C 13 0.217 0.9754 0.0396 -0.4331 0.0598 0.8993 0.8748 -0.2123 0.4354 -0.0424 0.0014 0.041 -5.684 0.183 5.501 -2.028 0.065 1.963 -1.896 0.061 1.835 34 C 13 -0.4504 0.0807 0.8892 0.7761 0.5277 0.3452 -0.4413 0.8456 -0.3003 -0.1059 -0.005 0.1108 -14.21 -0.665 14.875 -5.071 -0.237 5.308 -4.74 -0.222 4.962 35 C 13 0.1516 0.9884 6.0E-4 -0.4416 0.0671 0.8947 0.8843 -0.1359 0.4467 -0.5416 -0.3838 0.9254 -72.672 -51.508 124.18 -25.931 -18.379 44.311 -24.241 -17.181 41.422 36 C 13 -0.4677 0.0514 0.8824 -0.5601 0.7551 -0.3408 0.6838 0.6536 0.3243 -0.1077 -0.0055 0.1132 -14.458 -0.731 15.189 -5.159 -0.261 5.42 -4.823 -0.244 5.067 37 C 13 -0.4539 0.0603 0.889 -0.5669 0.7502 -0.3403 0.6875 0.6584 0.3063 -0.0055 -0.0051 0.0105 -2.908 -2.702 5.609 -1.038 -0.964 2.002 -0.97 -0.901 1.871 38 H 1 -0.4593 0.0634 0.886 0.884 -0.0648 0.4629 0.0868 0.9959 -0.0263 -0.0028 0.0011 0.0016 -1.485 0.608 0.877 -0.53 0.217 0.313 -0.496 0.203 0.293 39 H 1 -0.3741 0.1188 0.9198 0.8062 0.5318 0.2592 -0.4583 0.8385 -0.2947 -0.0053 -0.005 0.0103 -2.808 -2.665 5.473 -1.002 -0.951 1.953 -0.937 -0.889 1.826 40 H 1 -0.3549 0.0864 0.9309 0.9343 0.0698 0.3497 -0.0348 0.9938 -0.1055 -0.0122 -0.0106 0.0228 -6.495 -5.669 12.164 -2.317 -2.023 4.34 -2.166 -1.891 4.057 41 H 1 PT195529.900S 2024-09-25T18:20:17.000 -19.24301 -14.52392 -14.52343 -14.45154 -14.44912 -10.38700 -10.37910 -10.36627 -10.36567 -10.34629 -10.34324 -10.32723 -10.32439 -10.32301 -10.31868 -10.31310 -10.30921 -10.30868 -10.30638 -10.30599 -10.29944 -10.29859 -10.29429 -10.29423 -10.29319 -6.90482 -6.84360 -4.92366 -4.91405 -4.91353 -1.95775 -1.95498 -1.95455 -1.94632 -1.94631 -1.16609 -1.13155 -1.04361 -1.04084 -1.02132 -0.94494 -0.90880 -0.89997 -0.89301 -0.87434 -0.85061 -0.83199 -0.82380 -0.76656 -0.76112 -0.74808 -0.74732 -0.72578 -0.71955 -0.70389 -0.68753 -0.68457 -0.67040 -0.64661 -0.62297 -0.61338 -0.59815 -0.59473 -0.58600 -0.57558 -0.57246 -0.56337 -0.55986 -0.55153 -0.55142 -0.53033 -0.52579 -0.52392 -0.51289 -0.50281 -0.50038 -0.49871 -0.49224 -0.48488 -0.48143 -0.47238 -0.46307 -0.45118 -0.44484 -0.42803 -0.42485 -0.42186 -0.39944 -0.37248 -0.36371 -0.35730 -0.35521 -0.34402 -0.33849 -0.33253 -0.32378 -0.32027 -0.31980 -0.30925 -0.29172 -0.27833 -0.01231 0.01592 0.04513 0.05211 0.06382 0.06821 0.07430 0.07971 0.12795 0.13173 0.14629 0.15284 0.16449 0.16745 0.17022 0.18222 0.18927 0.19277 0.20339 0.21044 0.21250 0.22213 0.22688 0.22933 0.23397 0.23914 0.24471 0.24883 0.25095 0.25556 0.26355 0.27650 0.29035 0.29197 0.31326 0.31902 0.33529 0.34416 0.35008 0.35538 0.35953 0.36377 0.37188 0.37481 0.37596 0.38462 0.39008 0.39228 0.39488 0.40427 0.40923 0.41232 0.43235 0.44198 0.44772 0.45524 0.46584 0.47247 0.48036 0.48101 0.48252 0.49102 0.49564 0.50725 0.51296 0.51724 0.52111 0.52277 0.52517 0.52973 0.53786 0.54149 0.54241 0.54611 0.54953 0.55843 0.56444 0.56954 0.57868 0.58416 0.58936 0.59300 0.59956 0.60008 0.61353 0.61800 0.61972 0.62101 0.63614 0.64430 0.64922 0.65954 0.66482 0.67018 0.67219 0.68019 0.69090 0.69364 0.70751 0.71168 0.72154 0.72255 0.72727 0.72977 0.73431 0.74153 0.74651 0.74971 0.75254 0.75996 0.76241 0.76559 0.76952 0.77441 0.78261 0.78861 0.79329 0.79769 0.80153 0.80707 0.81233 0.81400 0.81701 0.82169 0.82795 0.83506 0.84064 0.84447 0.84553 0.85162 0.86102 0.86723 0.87368 0.87864 0.88003 0.89380 0.89721 0.90964 0.91639 0.91869 0.93825 0.95017 0.95092 0.95985 0.97378 0.97993 0.98407 0.99816 1.01627 1.02474 1.03184 1.04907 1.05253 1.05949 1.06690 1.09459 1.10450 1.12033 1.12888 1.15349 1.16532 1.17734 1.18917 1.19480 1.20307 1.21171 1.22530 1.22950 1.24051 1.25660 1.26602 1.26815 1.27855 1.29334 1.30071 1.30981 1.31683 1.32235 1.33377 1.34262 1.34686 1.35503 1.36381 1.36862 1.37030 1.37628 1.38147 1.38331 1.39020 1.40507 1.40722 1.42020 1.42603 1.44113 1.45711 1.46033 1.46955 1.48499 1.53226 1.53524 1.55260 1.55968 1.58090 1.58612 1.61056 1.62050 1.62916 1.63842 1.66495 1.68096 1.71761 1.72886 1.75017 1.76111 1.77314 1.77872 1.78515 1.78818 1.79145 1.81291 1.81612 1.81899 1.82772 1.83397 1.83824 1.84481 1.84551 1.85096 1.85453 1.86002 1.86383 1.87148 1.87694 1.87987 1.88430 1.89163 1.89282 1.90825 1.93087 1.93383 1.95016 1.95692 1.95905 1.97138 1.97905 1.98298 2.00287 2.01022 2.01604 2.02234 2.02480 2.02975 2.03747 2.04600 2.05461 2.06286 2.07432 2.07836 2.08729 2.09070 2.09949 2.12656 2.13219 2.13803 2.14271 2.14847 2.17886 2.19104 2.20365 2.21485 2.22575 2.23475 2.23856 2.25510 2.26164 2.27581 2.28759 2.29413 2.31762 2.32682 2.34386 2.35620 2.37147 2.37347 2.38276 2.39506 2.39934 2.40589 2.40679 2.41787 2.42890 2.43069 2.44739 2.45815 2.46242 2.46830 2.48788 2.50442 2.50613 2.51251 2.51742 2.53744 2.55157 2.56926 2.58853 2.61722 2.62477 2.66716 2.67890 2.68453 2.69017 2.69792 2.73981 2.74304 2.75028 2.76225 2.78074 2.80093 2.80615 2.80996 2.81328 2.81828 2.82324 2.83082 2.84896 2.85125 2.86523 2.89621 2.90652 2.91115 2.92970 2.93207 2.94123 2.94850 2.96584 2.99448 3.00793 3.05042 3.06702 3.10018 3.10296 3.12650 3.12960 3.18926 3.19653 3.20749 3.22048 3.24290 3.26311 3.29365 3.37516 3.45103 3.46599 3.49076 3.60157 3.67177 3.69585 3.72222 3.75342 3.75454 18.93076 19.03810 19.17182 56.78084 -19.24302 -14.52391 -14.52343 -14.45154 -14.44914 -10.38700 -10.37909 -10.36627 -10.36567 -10.34629 -10.34322 -10.32722 -10.32436 -10.32301 -10.31866 -10.31310 -10.30923 -10.30868 -10.30600 -10.29822 -10.29732 -10.29478 -10.29462 -10.29383 -10.29218 -6.90463 -6.84362 -4.92356 -4.91375 -4.91341 -1.95762 -1.95477 -1.95445 -1.94611 -1.94610 -1.16608 -1.13157 -1.04361 -1.04083 -1.02132 -0.93712 -0.90879 -0.89995 -0.89300 -0.87433 -0.85057 -0.82868 -0.81163 -0.76641 -0.76107 -0.74764 -0.74728 -0.72577 -0.71893 -0.70387 -0.68738 -0.68038 -0.65783 -0.64661 -0.62296 -0.61333 -0.59813 -0.58706 -0.58596 -0.57554 -0.57245 -0.56336 -0.55983 -0.55152 -0.55142 -0.52478 -0.52231 -0.51782 -0.51258 -0.50028 -0.49954 -0.49750 -0.49214 -0.48486 -0.48138 -0.47224 -0.44990 -0.44791 -0.44436 -0.42799 -0.42197 -0.41946 -0.39915 -0.37244 -0.36361 -0.35687 -0.35479 -0.34359 -0.33719 -0.33252 -0.32250 -0.31585 -0.30977 -0.29216 -0.29056 -0.01275 0.01377 0.01660 0.04564 0.05223 0.06420 0.06723 0.07971 0.08655 0.12793 0.13176 0.14708 0.15290 0.16516 0.16788 0.17033 0.18244 0.18979 0.19287 0.20385 0.21070 0.21260 0.22216 0.22709 0.22945 0.23504 0.24058 0.24689 0.24966 0.25480 0.25641 0.26399 0.27664 0.29041 0.29220 0.31328 0.31971 0.33589 0.34442 0.35374 0.35592 0.35983 0.36526 0.37250 0.37547 0.37666 0.38587 0.39156 0.39445 0.39746 0.40626 0.41153 0.42122 0.43303 0.44221 0.44846 0.45754 0.46912 0.47297 0.48075 0.48132 0.48776 0.49216 0.49638 0.50890 0.51354 0.51857 0.52220 0.52445 0.52630 0.53009 0.53834 0.54197 0.54355 0.54651 0.55080 0.55892 0.56566 0.57011 0.57962 0.58496 0.59085 0.59457 0.60031 0.60088 0.61466 0.61984 0.62048 0.62565 0.63658 0.64465 0.65100 0.66028 0.67113 0.67220 0.67473 0.69101 0.69232 0.69526 0.70788 0.71209 0.72179 0.72296 0.72756 0.73048 0.73612 0.74368 0.74707 0.75017 0.75340 0.76005 0.76286 0.76723 0.77072 0.77600 0.78275 0.78992 0.79376 0.79812 0.80235 0.80871 0.81265 0.81565 0.81731 0.82353 0.82945 0.83821 0.84266 0.84565 0.84811 0.85237 0.86247 0.86754 0.87446 0.88090 0.88132 0.89545 0.89825 0.91072 0.91740 0.92398 0.93970 0.95157 0.95195 0.96339 0.97646 0.98399 0.98569 0.99896 1.01887 1.02605 1.03592 1.04958 1.05272 1.05974 1.06707 1.09661 1.10535 1.12214 1.12999 1.15423 1.16617 1.17779 1.18945 1.19497 1.20510 1.21247 1.22574 1.23009 1.24069 1.25686 1.26607 1.26853 1.27963 1.29338 1.30121 1.30992 1.31784 1.32252 1.33439 1.34439 1.34850 1.35565 1.36423 1.36970 1.37095 1.37649 1.38187 1.38478 1.39057 1.40603 1.40743 1.42063 1.42631 1.44273 1.45720 1.46160 1.46957 1.48572 1.53329 1.54163 1.55329 1.56486 1.58125 1.60142 1.61116 1.62334 1.62957 1.63860 1.66496 1.68126 1.71777 1.73981 1.75094 1.76397 1.77408 1.77904 1.78521 1.78967 1.79195 1.81294 1.81850 1.81951 1.82854 1.83868 1.83935 1.84558 1.84614 1.85353 1.85634 1.86250 1.86561 1.87173 1.88049 1.88131 1.88809 1.89350 1.89544 1.91161 1.93262 1.94619 1.95094 1.95765 1.96903 1.97260 1.97919 1.98344 2.00289 2.01060 2.01629 2.02377 2.02964 2.03723 2.03869 2.04626 2.05502 2.06348 2.07525 2.07965 2.08813 2.09136 2.09959 2.12670 2.13548 2.14042 2.14658 2.15278 2.18095 2.19120 2.20369 2.21506 2.22577 2.23494 2.23971 2.25921 2.26811 2.27846 2.28822 2.29783 2.32058 2.32685 2.34395 2.35656 2.37216 2.37633 2.38300 2.39627 2.40052 2.41305 2.41916 2.42160 2.42929 2.44025 2.44767 2.45841 2.46430 2.47291 2.48807 2.50452 2.50620 2.51256 2.51761 2.53752 2.55160 2.56927 2.58857 2.61735 2.62970 2.66722 2.67935 2.68463 2.69053 2.69944 2.73985 2.75186 2.75787 2.76281 2.78075 2.80102 2.80615 2.81004 2.81378 2.81934 2.82351 2.83089 2.84919 2.85125 2.86530 2.89622 2.90653 2.91116 2.93172 2.94062 2.95118 2.95264 2.96592 2.99975 3.00795 3.05044 3.06704 3.10020 3.10298 3.12936 3.13540 3.18926 3.19654 3.20754 3.22528 3.24288 3.26311 3.30237 3.37516 3.45103 3.46599 3.49076 3.60158 3.67177 3.70237 3.72222 3.75341 3.75454 18.93095 19.03866 19.17201 56.78091 2-A. 1.71661656e+00 1.03330576e+00 -1.86194844e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 4.3632 2.6264 -4.7326 6.9522 -144.2201 -155.0944 -180.0657 -0.3673 0.3441 -11.3878 15.5733 4.6990 -20.2723 -0.3673 0.3441 -11.3878 141.4605 51.4484 79.8220 72.0318 45.6400 -23.3507 9.2071 27.3697 10.9841 -8.6593 -6547.7541 -3334.6234 -1970.8704 179.6927 185.0759 -22.2946 -76.7382 127.8285 45.9621 -1604.1750 -1600.9429 -929.4183 -96.0928 -42.0359 29.2243 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 2-A -1386.8940355 0.762293 0. 0.750083 4.63E-9 2.104E-6 8.549471,0.1562963,-8.7057673,-5.8113768,4.7583362,11.2990053 C01 [X(C20H15B1I1N4O1)] -0.8986825 1.186425 2.2948008 -0.000002199 -0.000004032 -0.000000092 0.000001429 0.000001661 -0.000000572 0.000000001 -0.000002520 0.000000589 0.000001797 -0.000001436 -0.000001118 -0.000001442 0.000003483 -0.000002778 0.000002572 0.000002785 0.000004234 -0.000000886 -0.000001340 -0.000000739 0.000002459 -0.000001484 0.000001352 -0.000001080 0.000001804 -0.000001259 0.000002312 -0.000001540 0.000001252 -0.000001095 -0.000001837 -0.000002173 0.000000343 0.000000368 -0.000001539 -0.000000090 0.000000503 0.000000310 -0.000000493 0.000000084 0.000000162 0.000000455 -0.000000939 -0.000000164 -0.000000258 -0.000001010 -0.000000767 0.000000298 0.000000346 -0.000000865 0.000000521 -0.000001883 -0.000000113 0.000000453 -0.000000549 -0.000000811 -0.000000079 -0.000001222 -0.000000303 0.000000824 -0.000001098 -0.000000788 0.000002065 -0.000001160 -0.000000226 0.000000490 -0.000003989 -0.000001496 -0.000001791 0.000001782 0.000005395 -0.000000340 0.000000204 0.000000874 -0.000001333 -0.000001489 0.000001175 -0.000000931 0.000000926 0.000001135 0.000000872 -0.000001348 0.000001482 -0.000013209 0.000002555 -0.000004058 0.000004656 -0.000002684 0.000002297 -0.000001899 0.000001589 -0.000000473 -0.000000899 0.000002545 0.000000031 0.000001784 0.000002892 0.000000688 0.000000763 -0.000001326 -0.000000217 -0.000002290 0.000004325 -0.000001445 0.000003420 0.000002303 0.000002779 -0.000000605 -0.000002342 -0.000000735 0.000002521 0.000000986 -0.000000324 0.000000411 0.000001035 -0.000000153 -0.000000086 0.000001681 0.000000581 -0.000000214 -0.000000879 0.000000132 0.000000777 0.000002249 -0.000001263 449.9556699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,31,11,18,27,29,2;33,32,34,37,35,36/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(17,18)(19,20);(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.4,17.2,18.2,21.1;1.3,2.3,3.3,4.3,5.3,6.2/rA:42nC3O1B4C3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHIC3C3C3C3C2C3HHHHH/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s23;s27;s22s24;s29;s3;;s32;s33;s34;s35;s32s36;s32;s33;s34;s35;s37;/rC:-.5067,-1.9362,.3186;-.3414,-3.1062,.0336;-.7129,1.0427,.5367;-1.8063,-1.2558,.0135;.5501,-1.1718,1.0509;.4772,.2206,1.2186;-1.9753,.13,.1762;1.6343,-1.8741,1.5829;2.603,-1.1752,2.2864;2.4361,.2008,2.4435;1.4135,.8807,1.933;1.6955,-2.9524,1.4244;3.4739,-1.6774,2.7092;3.1696,.7806,3.0145;-4.2069,-.0463,-.3969;-4.1086,-1.4172,-.6379;-2.8844,-2.0329,-.4161;-3.1822,.7061,-.0062;-2.7381,-3.1059,-.5589;-5.1664,.4662,-.5265;-4.9795,-1.9818,-.9742;-1.1048,2.3527,1.3514;-2.2367,4.099,2.1361;-.978,4.1448,2.662;-3.0834,4.7643,2.27;-.5215,4.8578,3.3409;-2.2835,2.9814,1.336;-3.0437,2.5461,.79;-.3071,3.0537,2.1618;.6399,2.676,2.33;.081,1.8479,-1.4918;3.5386,-2.8757,-1.219;4.6173,-2.2155,-.6259;4.6226,-.8234,-.5145;3.5421,-.0736,-.9976;2.5097,-.7755,-1.5809;2.4504,-2.1458,-1.7154;3.5379,-3.9662,-1.2955;5.4625,-2.7932,-.2448;5.4692,-.3153,-.0448;3.5149,1.015,-.9059;1.5929,-2.6521,-2.1644; Gaussian 16 GINC-BERON203 GRUFOR coments ES64L-G16RevC.02 120 C1[X(C20H15BIN4O)] 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 449.9556699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,31,11,18,27,29,2;33,32,34,37,35,36/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(17,18)(19,20);(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.4,17.2,18.2,21.1;1.3,2.3,3.3,4.3,5.3,6.2/rA:42nC3O1B4C3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHIC3C3C3C3C2C3HHHHH/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s23;s27;s22s24;s29;s3;;s32;s33;s34;s35;s32s36;s32;s33;s34;s35;s37;/rC:-.5068,-1.9362,.3186;-.3414,-3.1062,.0336;-.7129,1.0427,.5367;-1.8063,-1.2558,.0135;.5501,-1.1718,1.0509;.4772,.2206,1.2186;-1.9753,.13,.1762;1.6343,-1.8741,1.5829;2.603,-1.1752,2.2864;2.4361,.2008,2.4435;1.4135,.8807,1.933;1.6955,-2.9524,1.4244;3.4739,-1.6774,2.7092;3.1696,.7806,3.0145;-4.2069,-.0463,-.3969;-4.1086,-1.4172,-.6379;-2.8844,-2.0329,-.4161;-3.1822,.7061,-.0062;-2.7381,-3.1059,-.5589;-5.1664,.4662,-.5265;-4.9795,-1.9818,-.9742;-1.1048,2.3527,1.3514;-2.2367,4.099,2.1361;-.978,4.1448,2.662;-3.0834,4.7643,2.27;-.5215,4.8578,3.3409;-2.2835,2.9814,1.336;-3.0437,2.5461,.79;-.3071,3.0537,2.1618;.6399,2.676,2.33;.081,1.8478,-1.4918;3.5386,-2.8757,-1.219;4.6173,-2.2155,-.6259;4.6226,-.8234,-.5145;3.5421,-.0736,-.9976;2.5097,-.7755,-1.5809;2.4504,-2.1458,-1.7154;3.5379,-3.9662,-1.2955;5.4625,-2.7932,-.2448;5.4692,-.3153,-.0448;3.5149,1.015,-.9059;1.5929,-2.6521,-2.1644; coments Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 12 16 11 12 12 12 12 12 12 12 14 1 1 1 12 12 12 14 1 1 1 12 12 12 1 1 14 1 14 1 127 12 12 12 12 12 12 1 1 1 1 1 12.0000000 15.9949146 11.0093053 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 14.0030740 1.0078250 14.0030740 1.0078250 126.9004000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 3 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 1 1 1 0 0 0 1 1 2 1 2 1 5 0 0 0 0 0 0 1 1 1 1 1 3.6000000 5.6000000 2.7500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 4.5500000 1.0000000 4.5500000 1.0000000 5830.0000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l101.exe) Structure from the checkpoint file: "18_p_PhI.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 1 1 1 3 3 3 3 4 4 5 5 6 7 8 8 9 9 10 10 15 15 15 16 16 17 22 22 23 23 23 24 24 27 29 29 30 32 32 32 33 33 34 34 35 35 36 37 2 4 5 6 7 22 31 7 17 6 8 11 18 9 12 10 13 11 14 16 18 20 17 21 19 27 29 24 25 27 26 29 28 30 41 41 33 37 38 34 39 35 40 36 41 37 42 1.2155 1.4983 1.4959 1.599 1.599 1.5916 2.3224 1.4055 1.3967 1.4044 1.397 1.3501 1.3497 1.3863 1.0916 1.3949 1.0906 1.3299 1.0955 1.3953 1.33 1.0955 1.3882 1.091 1.0922 1.336 1.3358 1.3649 1.0851 1.3752 1.0851 1.3752 1.0322 1.0333 5.308 4.6363 1.3968 1.4012 1.0931 1.3966 1.0924 1.4011 1.0934 1.378 1.0928 1.3781 1.0924 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 2 2 4 6 6 6 7 7 22 1 1 7 1 1 6 3 3 5 3 3 4 5 5 9 8 8 10 9 9 11 6 16 16 18 15 15 17 4 4 16 7 3 3 27 24 24 25 23 23 26 22 22 23 22 22 22 24 24 33 33 37 32 32 34 33 33 35 34 34 36 35 32 32 36 29 30 1 1 1 3 3 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 15 15 15 16 16 16 17 17 17 18 22 22 22 23 23 23 24 24 24 27 27 27 29 29 29 29 29 32 32 32 33 33 33 34 34 34 35 35 35 36 37 37 37 41 41 4 5 5 7 22 31 22 31 31 7 17 17 6 8 8 5 11 11 4 18 18 9 12 12 10 13 13 11 14 14 10 18 20 20 17 21 21 16 19 19 15 27 29 29 25 27 27 26 29 29 23 28 28 24 30 41 30 41 37 38 38 34 39 39 35 40 40 36 41 41 37 36 42 42 35 35 120.4914 120.7022 118.7102 112.9694 112.8384 107.2364 113.0063 105.7115 104.2355 121.9054 118.6475 119.4315 121.8999 118.5425 119.5572 119.8343 119.3661 120.7913 119.6024 119.5231 120.8462 118.8222 119.0013 122.1745 118.0877 121.504 120.4082 123.5801 120.0369 116.3829 119.1054 123.5218 120.0639 116.4143 118.0546 120.3601 121.5771 118.8855 118.9091 122.2037 119.1549 126.7751 126.5407 106.6697 130.6437 106.4319 122.9243 130.6256 106.4423 122.9321 110.2248 117.223 132.488 110.2296 117.0126 82.9812 132.6824 150.0334 120.2579 120.1158 119.6261 120.5291 119.7107 119.7601 120.1955 120.0303 119.7736 116.8218 121.552 121.6228 125.4482 116.7449 120.9155 122.3255 116.6793 115.5222 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 2 2 5 5 2 2 4 4 7 7 22 22 31 31 6 6 22 22 31 31 6 6 7 7 31 31 1 1 17 17 1 1 7 7 1 1 8 8 1 1 6 6 3 5 3 4 5 5 12 12 8 8 13 13 9 14 18 18 20 20 16 20 15 15 21 21 3 3 29 29 3 3 3 27 27 27 25 25 27 27 24 24 25 25 23 23 23 26 26 26 22 24 37 37 38 38 33 33 38 38 32 32 39 39 33 33 40 40 34 41 34 34 36 36 35 35 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 7 7 8 8 8 8 9 9 9 9 10 10 15 15 15 15 15 15 16 16 16 16 22 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 24 24 24 24 24 24 29 29 32 32 32 32 32 32 32 32 33 33 33 33 34 34 34 34 35 35 35 35 35 35 36 36 4 4 4 4 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 22 22 22 22 22 22 7 7 7 7 17 17 17 17 6 6 6 6 8 8 8 8 11 11 18 18 9 9 9 9 10 10 10 10 11 11 16 16 16 16 18 18 17 17 17 17 27 27 27 27 29 29 29 29 29 29 24 24 24 24 27 27 27 27 29 29 29 29 29 29 41 41 33 33 33 33 37 37 37 37 34 34 34 34 35 35 35 35 36 36 41 41 41 41 37 37 7 17 7 17 6 8 6 8 5 11 5 11 5 11 4 18 4 18 4 18 27 29 27 29 27 29 3 18 3 18 16 19 16 19 3 11 3 11 9 12 9 12 10 10 15 15 10 13 10 13 11 14 11 14 6 6 17 21 17 21 7 7 4 19 4 19 23 28 23 28 24 30 41 24 30 41 26 29 26 29 22 28 22 28 22 30 41 22 30 41 35 35 34 39 34 39 36 42 36 42 35 40 35 40 36 41 36 41 37 37 29 30 29 30 32 42 -171.9863 9.4582 11.5542 -167.0013 170.3374 -9.8733 -13.2108 166.5785 20.9264 -160.1153 150.6513 -30.3904 -95.1418 83.8165 -22.4596 159.4578 -152.0988 29.8185 94.5123 -83.5703 -155.3775 26.1987 -25.6715 155.9047 88.611 -89.8128 7.0627 -174.8806 -174.3928 3.6639 176.9126 -2.619 -1.6795 178.789 -3.9443 177.1125 176.2685 -2.6747 -178.6884 1.8217 1.1059 -178.384 -176.7723 2.1758 175.3494 -2.7088 0.8255 -179.2045 -179.7015 0.2685 -1.3807 178.513 178.649 -1.4574 -0.1379 179.9649 2.1153 -178.912 -177.8036 1.1691 -0.2061 179.7155 -1.0679 178.4474 179.9725 -0.5121 -178.2673 4.2825 0.4108 -177.0394 178.2768 -4.48 26.0413 -0.4054 176.8378 -152.6408 0.0183 179.9709 -179.9442 0.0083 -0.2611 176.6637 179.7728 -3.3024 0.247 -176.4113 112.4833 -179.7959 3.5458 -67.5596 -55.3686 -174.3128 0.2953 -179.8008 -179.5157 0.3882 -0.1821 -178.8475 179.6298 0.9644 0.0362 179.7358 -179.8677 -0.1681 -0.4556 178.885 179.844 -0.8154 0.5975 -178.7426 -115.3999 -105.3693 63.9091 73.9397 -0.2796 178.3654 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00045 0.00082 0.00429 0.00619 0.00773 0.00882 0.01022 0.01131 0.01246 0.01365 0.01470 0.01650 0.01754 0.01820 0.01827 0.01856 0.01897 0.01993 0.02004 0.02098 0.02203 0.02280 0.02398 0.02506 0.02629 0.02714 0.02765 0.02818 0.02973 0.02994 0.03025 0.03151 0.03348 0.03597 0.03934 0.03963 0.04501 0.04658 0.05379 0.06267 0.06541 0.06997 0.07832 0.09552 0.09871 0.10531 0.10582 0.10676 0.10700 0.10757 0.11053 0.11450 0.11667 0.11703 0.12105 0.12246 0.13179 0.13214 0.14522 0.16019 0.16611 0.18283 0.18837 0.18940 0.19214 0.19791 0.20567 0.20727 0.20769 0.21103 0.22271 0.22567 0.22742 0.22994 0.24658 0.25418 0.26756 0.27933 0.28417 0.29646 0.34419 0.35083 0.35518 0.35620 0.35995 0.36091 0.36208 0.36307 0.36502 0.36545 0.36701 0.36837 0.36886 0.37021 0.38015 0.38453 0.38583 0.39004 0.40102 0.42690 0.43142 0.43595 0.44677 0.45404 0.46605 0.47151 0.47395 0.48234 0.48959 0.49758 0.50142 0.52180 0.52427 0.52859 0.54117 0.57067 0.57739 0.60974 0.73449 0.87663 Angle between quadratic step and forces= 81.59 degrees. 1 2 0.00030985 0.00000010 0.00000003 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 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 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 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 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 2.29701 2.83135 2.82683 3.02174 3.02169 3.00769 4.38873 2.65594 2.63935 2.65384 2.63996 2.55139 2.55057 2.61977 2.06285 2.63607 2.06096 2.51310 2.07026 2.63672 2.51333 2.07016 2.62333 2.06170 2.06405 2.52469 2.52431 2.57930 2.05060 2.59884 2.05061 2.59866 1.95064 1.95274 10.03060 8.76133 2.63962 2.64796 2.06572 2.63915 2.06435 2.64769 2.06621 2.60396 2.06512 2.60426 2.06438 2.10297 2.10665 2.07188 1.97169 1.96940 1.87163 1.97233 1.84501 1.81925 2.12765 2.07079 2.08447 2.12755 2.06896 2.08667 2.09150 2.08333 2.10821 2.08745 2.08607 2.10916 2.07384 2.07696 2.13235 2.06102 2.12064 2.10152 2.15688 2.09504 2.03127 2.07878 2.15586 2.09551 2.03181 2.06044 2.10068 2.12192 2.07494 2.07535 2.13286 2.07964 2.21264 2.20855 1.86174 2.28016 1.85759 2.14543 2.27985 1.85777 2.14557 1.92379 2.04593 2.31235 1.92387 2.04225 1.44830 2.31574 2.61858 2.09890 2.09642 2.08787 2.10363 2.08935 2.09021 2.09781 2.09492 2.09044 2.03892 2.12148 2.12272 2.18948 2.03758 2.11037 2.13498 2.03644 2.01624 -3.00173 0.16508 0.20166 -2.91472 2.97295 -0.17232 -0.23057 2.90734 0.36523 -2.79454 2.62936 -0.53041 -1.66054 1.46287 -0.39199 2.78306 -2.65463 0.52043 1.64955 -1.45858 -2.71185 0.45725 -0.44805 2.72105 1.54655 -1.56753 0.12327 -3.05224 -3.04373 0.06395 3.08771 -0.04571 -0.02931 3.12046 -0.06884 3.09120 3.07647 -0.04668 -3.11870 0.03179 0.01930 -3.11339 -3.08526 0.03797 3.06042 -0.04728 0.01441 -3.12771 -3.13638 0.00469 -0.02410 3.11564 3.11801 -0.02544 -0.00241 3.14098 0.03692 -3.12260 -3.10326 0.02040 -0.00360 3.13663 -0.01864 3.11450 3.14111 -0.00894 -3.11135 0.07474 0.00717 -3.08992 3.11152 -0.07819 0.45451 -0.00708 3.08640 -2.66409 0.00032 3.14108 -3.14062 0.00015 -0.00456 3.08336 3.13763 -0.05764 0.00431 -3.07896 1.96320 -3.13803 0.06189 -1.17914 -0.96636 -3.04233 0.00515 -3.13812 -3.13314 0.00678 -0.00318 -3.12148 3.13513 0.01683 0.00063 3.13698 -3.13928 -0.00293 -0.00795 3.12213 3.13887 -0.01423 0.01043 -3.11965 -2.01411 -1.83904 1.11542 1.29049 -0.00488 3.11306 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00001 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 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00002 -0.00020 -0.00004 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00002 0.00000 -0.00002 -0.00001 -0.00001 0.00001 -0.00000 0.00002 -0.00001 -0.00000 -0.00002 0.00002 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00002 0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00009 -0.00001 -0.00001 0.00000 -0.00002 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00002 -0.00002 0.00002 -0.00001 0.00007 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00003 -0.00003 -0.00001 -0.00002 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00001 0.00002 -0.00005 -0.00007 -0.00004 -0.00006 -0.00007 -0.00009 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00002 0.00002 -0.00000 0.00001 -0.00001 -0.00000 -0.00002 -0.00002 -0.00000 0.00000 -0.00001 -0.00001 -0.00002 -0.00002 0.00001 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00002 0.00003 -0.00000 0.00004 0.00003 0.00003 0.00009 0.00001 0.00001 0.00007 0.00002 0.00003 0.00000 0.00001 -0.00001 -0.00006 -0.00003 -0.00008 -0.00002 -0.00002 -0.00022 -0.00000 -0.00001 -0.00021 -0.00050 -0.00034 -0.00001 -0.00001 -0.00002 -0.00002 -0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00002 -0.00000 0.00033 0.00035 0.00032 0.00033 0.00001 0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00002 -0.00020 -0.00004 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00002 0.00000 -0.00002 -0.00001 -0.00001 0.00001 -0.00000 0.00002 -0.00001 -0.00000 -0.00002 0.00002 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00002 0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00009 -0.00001 -0.00001 0.00000 -0.00002 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00002 -0.00002 0.00002 -0.00001 0.00007 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00003 -0.00003 -0.00001 -0.00002 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00001 0.00002 -0.00005 -0.00007 -0.00004 -0.00006 -0.00007 -0.00009 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00002 0.00002 -0.00000 0.00001 -0.00001 -0.00000 -0.00002 -0.00002 -0.00000 0.00000 -0.00001 -0.00001 -0.00002 -0.00002 0.00001 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00002 0.00003 -0.00000 0.00004 0.00003 0.00003 0.00009 0.00001 0.00001 0.00007 0.00002 0.00003 0.00000 0.00001 -0.00001 -0.00006 -0.00003 -0.00008 -0.00002 -0.00002 -0.00022 -0.00000 -0.00001 -0.00021 -0.00050 -0.00034 -0.00001 -0.00001 -0.00002 -0.00002 -0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00002 -0.00000 0.00033 0.00035 0.00032 0.00033 0.00001 0.00001 2.29701 2.83134 2.82684 3.02174 3.02169 3.00769 4.38874 2.65594 2.63935 2.65384 2.63996 2.55138 2.55057 2.61977 2.06284 2.63607 2.06096 2.51310 2.07026 2.63672 2.51333 2.07016 2.62333 2.06170 2.06405 2.52470 2.52430 2.57930 2.05060 2.59883 2.05061 2.59866 1.95063 1.95276 10.03041 8.76129 2.63962 2.64796 2.06572 2.63915 2.06435 2.64770 2.06621 2.60395 2.06511 2.60427 2.06438 2.10298 2.10665 2.07188 1.97169 1.96940 1.87165 1.97234 1.84499 1.81924 2.12764 2.07080 2.08447 2.12757 2.06894 2.08666 2.09149 2.08335 2.10821 2.08746 2.08607 2.10916 2.07384 2.07696 2.13235 2.06102 2.12064 2.10152 2.15688 2.09504 2.03127 2.07878 2.15586 2.09551 2.03181 2.06044 2.10068 2.12192 2.07495 2.07536 2.13285 2.07965 2.21265 2.20855 1.86173 2.28015 1.85759 2.14544 2.27986 1.85776 2.14557 1.92379 2.04592 2.31235 1.92388 2.04225 1.44820 2.31574 2.61856 2.09890 2.09640 2.08788 2.10363 2.08934 2.09021 2.09781 2.09493 2.09044 2.03891 2.12149 2.12272 2.18951 2.03757 2.11040 2.13498 2.03651 2.01623 -3.00172 0.16509 0.20166 -2.91472 2.97292 -0.17236 -0.23059 2.90732 0.36523 -2.79454 2.62936 -0.53041 -1.66054 1.46288 -0.39200 2.78306 -2.65464 0.52043 1.64956 -1.45856 -2.71190 0.45719 -0.44809 2.72099 1.54648 -1.56762 0.12328 -3.05224 -3.04372 0.06394 3.08771 -0.04571 -0.02931 3.12046 -0.06883 3.09121 3.07649 -0.04666 -3.11870 0.03180 0.01929 -3.11339 -3.08527 0.03796 3.06042 -0.04727 0.01440 -3.12772 -3.13640 0.00467 -0.02408 3.11565 3.11803 -0.02542 -0.00241 3.14098 0.03692 -3.12260 -3.10326 0.02040 -0.00360 3.13663 -0.01864 3.11449 3.14111 -0.00894 -3.11137 0.07477 0.00717 -3.08988 3.11154 -0.07816 0.45460 -0.00707 3.08641 -2.66401 0.00034 3.14112 -3.14062 0.00016 -0.00457 3.08330 3.13760 -0.05772 0.00430 -3.07898 1.96298 -3.13803 0.06188 -1.17935 -0.96687 -3.04267 0.00515 -3.13812 -3.13316 0.00676 -0.00318 -3.12148 3.13514 0.01684 0.00063 3.13698 -3.13928 -0.00294 -0.00794 3.12213 3.13888 -0.01423 0.01041 -3.11965 -2.01377 -1.83869 1.11574 1.29082 -0.00487 3.11308 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000006 0.000001 0.001467 0.000310 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.418117e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 1 1 1 3 3 3 3 4 4 5 5 6 7 8 8 9 9 10 10 15 15 15 16 16 17 22 22 23 23 23 24 24 27 29 29 30 32 32 32 33 33 34 34 35 35 36 37 2 4 5 6 7 22 31 7 17 6 8 11 18 9 12 10 13 11 14 16 18 20 17 21 19 27 29 24 25 27 26 29 28 30 41 41 33 37 38 34 39 35 40 36 41 37 42 1.2155 1.4983 1.4959 1.599 1.599 1.5916 2.3224 1.4055 1.3967 1.4044 1.397 1.3501 1.3497 1.3863 1.0916 1.3949 1.0906 1.3299 1.0955 1.3953 1.33 1.0955 1.3882 1.091 1.0922 1.336 1.3358 1.3649 1.0851 1.3752 1.0851 1.3752 1.0322 1.0333 5.308 4.6363 1.3968 1.4012 1.0931 1.3966 1.0924 1.4011 1.0934 1.378 1.0928 1.3781 1.0924 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 2 2 4 6 6 6 7 7 22 1 1 7 1 1 6 3 3 5 3 3 4 5 5 9 8 8 10 9 9 11 6 16 16 18 15 15 17 4 4 16 7 3 3 27 24 24 25 23 23 26 22 22 23 22 22 22 24 24 33 33 37 32 32 34 33 33 35 34 34 36 35 32 32 36 29 30 1 1 1 3 3 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 15 15 15 16 16 16 17 17 17 18 22 22 22 23 23 23 24 24 24 27 27 27 29 29 29 29 29 32 32 32 33 33 33 34 34 34 35 35 35 36 37 37 37 41 41 4 5 5 7 22 31 22 31 31 7 17 17 6 8 8 5 11 11 4 18 18 9 12 12 10 13 13 11 14 14 10 18 20 20 17 21 21 16 19 19 15 27 29 29 25 27 27 26 29 29 23 28 28 24 30 41 30 41 37 38 38 34 39 39 35 40 40 36 41 41 37 36 42 42 35 35 120.4914 120.7022 118.7102 112.9694 112.8384 107.2364 113.0063 105.7115 104.2355 121.9054 118.6475 119.4315 121.8999 118.5425 119.5572 119.8343 119.3661 120.7913 119.6024 119.5231 120.8462 118.8222 119.0013 122.1745 118.0877 121.504 120.4082 123.5801 120.0369 116.3829 119.1054 123.5218 120.0639 116.4143 118.0546 120.3601 121.5771 118.8855 118.9091 122.2037 119.1549 126.7751 126.5407 106.6697 130.6437 106.4319 122.9243 130.6256 106.4423 122.9321 110.2248 117.223 132.488 110.2296 117.0126 82.9812 132.6824 150.0334 120.2579 120.1158 119.6261 120.5291 119.7107 119.7601 120.1955 120.0303 119.7736 116.8218 121.552 121.6228 125.4482 116.7449 120.9155 122.3255 116.6793 115.5222 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 2 2 5 5 2 2 4 4 7 7 22 22 31 31 6 6 22 22 31 31 6 6 7 7 31 31 1 1 17 17 1 1 7 7 1 1 8 8 1 1 6 6 3 5 3 4 5 5 12 12 8 8 13 13 9 14 18 18 20 20 16 20 15 15 21 21 3 3 29 29 3 3 3 27 27 27 25 25 27 27 24 24 25 25 23 23 23 26 26 26 22 24 37 37 38 38 33 33 38 38 32 32 39 39 33 33 40 40 34 41 34 34 36 36 35 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 7 7 8 8 8 8 9 9 9 9 10 10 15 15 15 15 15 15 16 16 16 16 22 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 24 24 24 24 24 24 29 29 32 32 32 32 32 32 32 32 33 33 33 33 34 34 34 34 35 35 35 35 35 35 36 4 4 4 4 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 22 22 22 22 22 22 7 7 7 7 17 17 17 17 6 6 6 6 8 8 8 8 11 11 18 18 9 9 9 9 10 10 10 10 11 11 16 16 16 16 18 18 17 17 17 17 27 27 27 27 29 29 29 29 29 29 24 24 24 24 27 27 27 27 29 29 29 29 29 29 41 41 33 33 33 33 37 37 37 37 34 34 34 34 35 35 35 35 36 36 41 41 41 41 37 7 17 7 17 6 8 6 8 5 11 5 11 5 11 4 18 4 18 4 18 27 29 27 29 27 29 3 18 3 18 16 19 16 19 3 11 3 11 9 12 9 12 10 10 15 15 10 13 10 13 11 14 11 14 6 6 17 21 17 21 7 7 4 19 4 19 23 28 23 28 24 30 41 24 30 41 26 29 26 29 22 28 22 28 22 30 41 22 30 41 35 35 34 39 34 39 36 42 36 42 35 40 35 40 36 41 36 41 37 37 29 30 29 30 32 -171.9863 9.4582 11.5542 -167.0013 170.3374 -9.8733 -13.2108 166.5785 20.9264 -160.1153 150.6513 -30.3904 -95.1418 83.8165 -22.4596 159.4578 -152.0988 29.8185 94.5123 -83.5703 -155.3775 26.1987 -25.6715 155.9047 88.611 -89.8128 7.0627 -174.8806 -174.3928 3.6639 176.9126 -2.619 -1.6795 178.789 -3.9443 177.1125 176.2685 -2.6747 -178.6884 1.8217 1.1059 -178.384 -176.7723 2.1758 175.3494 -2.7088 0.8255 -179.2045 -179.7015 0.2685 -1.3807 178.513 178.649 -1.4574 -0.1379 179.9649 2.1153 -178.912 -177.8036 1.1691 -0.2061 179.7155 -1.0679 178.4474 179.9725 -0.5121 -178.2673 4.2825 0.4108 -177.0394 178.2768 -4.48 26.0413 -0.4054 176.8378 -152.6408 0.0183 179.9709 -179.9442 0.0083 -0.2611 176.6637 179.7728 -3.3024 0.247 -176.4113 112.4833 -179.7959 3.5458 -67.5596 -55.3686 -174.3128 0.2953 -179.8008 -179.5157 0.3882 -0.1821 -178.8475 179.6298 0.9644 0.0362 179.7358 -179.8677 -0.1681 -0.4556 178.885 179.844 -0.8154 0.5975 -178.7426 -115.3999 -105.3693 63.9091 73.9397 -0.2796 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 493 A 465 A 465 822 493 101 100 2671.4646565507 42 42 42 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 -0.0401114350 0.000000 1.215526 0.000000 2.994037 4.195844 0.000000 1.498286 2.360203 2.598543 0.000000 1.495895 2.360501 2.600668 2.576023 0.000000 2.535775 3.625241 1.599035 2.974236 1.404354 0.000000 2.538912 3.628095 1.599008 1.405462 2.972773 2.666331 0.000000 2.487238 2.796764 3.887311 3.831797 1.397004 2.420620 4.361646 0.000000 3.757964 4.180183 4.356073 4.961302 2.396008 2.758209 5.207429 1.386324 0.000000 4.212201 4.945589 3.776286 5.101397 2.716651 2.310447 4.960441 2.385116 1.394949 0.000000 3.772147 4.752216 2.548959 4.314641 2.395061 1.350137 3.890234 2.785739 2.401368 1.329873 0.000000 2.665578 2.471227 4.748574 4.139031 2.149872 3.405095 4.953146 1.091611 2.173752 3.395555 3.876989 0.000000 4.650558 4.874119 5.444959 5.943472 3.399127 3.847707 6.275064 2.165982 1.090611 2.162267 3.375176 2.537524 0.000000 5.307039 6.026638 4.613193 6.157284 3.811696 3.284523 5.911792 3.384360 2.162406 1.095536 2.064844 4.316986 2.495477 0.000000 4.216010 4.948796 3.777049 2.719224 5.098242 4.962010 2.310768 6.432693 7.406043 7.228996 6.154414 6.826470 8.444113 8.169115 0.000000 3.762659 4.182805 4.354511 2.398135 4.961447 5.211334 2.758138 6.174238 7.325020 7.412542 6.510243 6.348043 8.292472 8.434586 1.395292 0.000000 2.490399 2.796603 3.883648 1.396684 3.832661 4.364670 2.419753 4.943599 6.176613 6.440029 5.699040 5.020758 7.093752 7.505670 2.386610 1.388208 0.000000 3.774267 4.754512 2.550594 2.396310 4.309725 3.889264 1.349704 5.690379 6.501031 6.149881 4.991095 6.262792 7.573475 7.033858 1.329998 2.401127 2.785441 0.000000 2.667733 2.468849 4.744742 2.149108 4.140582 4.956072 3.404808 5.022150 6.352219 6.835242 6.272002 4.859395 7.163077 7.923017 3.397678 2.176293 1.092246 3.877295 0.000000 5.310174 6.029652 4.614809 3.814063 6.152187 5.912266 3.284782 7.495001 8.424353 8.166300 7.036710 7.910632 9.472005 9.062322 1.095484 2.162959 3.386060 2.065259 4.319411 0.000000 4.656017 4.877692 5.443741 3.401723 5.944194 6.279610 3.848099 7.091666 8.293138 8.451907 7.583900 7.158952 9.226017 9.484064 2.162392 1.091004 2.168773 3.375171 2.541618 2.495603 0.000000 4.451859 5.667380 1.591599 3.911901 3.905207 2.658142 2.660702 5.041953 5.202641 4.284946 2.974296 5.999205 6.248943 4.848472 4.293613 5.214578 5.052148 2.978241 6.009354 4.856092 6.261703 0.000000 6.536028 7.741308 3.771023 5.776151 6.060078 4.821641 4.434250 7.139145 7.159716 6.093007 4.870508 8.104946 8.142817 6.404002 5.242280 6.451865 6.673300 4.122517 7.708670 5.372993 7.360155 2.224091 0.000000 6.534018 7.739020 3.769664 6.071859 5.761708 4.427245 4.826314 6.649498 6.423951 5.221022 4.111570 7.684405 7.329401 5.352124 6.111382 7.185113 7.160557 4.878830 8.126788 6.421922 8.171230 2.223912 1.364908 0.000000 7.439400 8.629380 4.740670 6.554738 7.065815 5.867540 5.204748 8.172913 8.222686 7.163796 5.951250 9.115942 9.202517 7.451452 5.614049 6.907807 7.311446 4.654087 8.370283 5.534707 7.722037 3.251906 1.085133 2.229335 0.000000 7.435929 8.625329 4.738614 7.077970 6.538167 5.196580 5.872059 7.283910 6.875348 5.589236 4.641424 8.341848 7.685721 5.509454 7.183584 8.250619 8.196307 5.959775 9.140061 7.471082 9.234319 3.251752 2.229180 1.085138 2.778261 0.000000 5.326824 6.521312 2.619952 4.464347 5.035813 3.905991 3.093678 6.243822 6.485219 5.588601 4.293801 7.144924 7.532428 6.115322 3.983687 5.155047 5.345473 2.790387 6.391541 4.255099 6.102312 1.336011 1.375246 2.194593 2.165886 3.262670 0.000000 5.172067 6.310663 2.785213 4.072949 5.177523 4.241268 2.712254 6.484646 6.926252 6.185699 4.893540 7.286742 8.000063 6.831621 3.079417 4.345181 4.737911 2.009735 5.818763 3.250353 5.230817 2.027845 2.207819 3.213634 2.666890 4.267581 1.032232 0.000000 5.323192 6.517285 2.617108 5.043204 4.452326 3.087196 3.908123 5.327916 5.134911 3.967771 2.781071 6.373923 6.081011 4.240480 5.600478 6.502127 6.257859 4.298518 7.159000 6.126487 7.551205 1.335806 2.194667 1.375153 3.262770 2.165885 2.143168 3.102957 0.000000 5.160709 6.298441 2.777257 5.177689 4.055751 2.700060 4.237946 4.716957 4.322819 3.060296 1.994690 5.797639 5.208360 3.234258 6.191807 6.936147 6.491128 4.893509 7.292852 6.837764 8.011818 2.026338 3.215169 2.210327 4.269382 2.670399 3.102822 3.994683 1.033344 0.000000 4.235847 5.200806 2.322415 3.931968 3.975401 3.186115 3.156210 5.071445 5.456591 4.872965 3.800081 5.844062 6.448867 5.566473 4.813832 5.379804 5.001078 3.762826 5.775547 5.511421 6.367289 3.121654 4.858109 4.863380 5.715837 5.725199 3.856484 3.931744 3.866966 3.950244 0.000000 4.428534 4.083697 6.042517 5.719383 4.121541 4.990176 6.433036 3.532790 4.006887 4.908594 5.344392 3.223377 4.107403 5.605974 8.287015 7.806757 6.527620 7.711621 6.315546 9.350155 8.568393 7.450098 9.656975 9.206018 10.695536 9.853108 8.644705 8.761304 7.834338 7.198533 5.860193 0.000000 5.217800 5.080985 6.354353 6.526228 4.521340 5.145598 7.043157 3.727403 3.690637 4.474014 5.137977 3.644565 3.566421 4.931957 9.089748 8.762319 7.506768 8.351668 7.409352 10.144996 9.605898 7.584133 9.719945 9.086868 10.789054 9.600657 8.858717 9.130653 7.732028 6.962941 6.151292 1.396826 0.000000 5.314389 5.491176 5.749310 6.465001 4.376860 4.612833 6.702086 3.799105 3.470938 3.818260 4.380956 4.106022 3.527155 4.139725 8.864415 8.752248 7.604412 7.969427 7.706595 9.873565 9.682621 6.809648 8.849000 8.132667 9.917550 8.579082 8.099051 8.475152 6.818775 6.016479 5.358818 2.425583 1.396579 0.000000 4.647003 5.034017 4.658853 5.569978 3.788679 3.793659 5.644502 3.679732 3.588858 3.624822 3.745708 4.190792 4.039427 4.118877 7.772277 7.776079 6.743583 6.841491 6.987665 8.737876 8.732606 5.744355 7.786183 7.184677 8.830608 7.723567 6.979687 7.309704 5.880278 5.201487 3.989414 2.810829 2.425244 1.401100 0.000000 3.748891 4.020875 4.263226 4.626034 3.305055 3.600095 4.901222 3.461660 3.889051 4.141772 4.036414 3.799114 4.488680 4.896391 6.858999 6.715845 5.659800 6.088639 5.832167 7.846995 7.609894 5.607837 7.752709 7.374033 8.763647 8.071287 6.752557 6.891665 6.050154 5.541085 3.576076 2.366584 2.725380 2.367305 1.377958 0.000000 3.595234 3.431541 5.024416 4.679797 3.494583 4.254615 5.323878 3.408616 4.120641 4.775210 4.852404 3.328418 4.565490 5.608231 7.103930 6.686751 5.491871 6.540642 5.401849 8.139500 7.468574 6.502314 8.706283 8.395686 9.708528 9.134949 7.616330 7.647011 7.047706 6.549178 4.648982 1.401241 2.426340 2.812346 2.449626 1.378116 0.000000 4.804716 4.189857 6.820211 6.133526 4.716074 5.763536 7.024214 4.035619 4.636178 5.705963 6.199144 3.438014 4.613072 6.422109 8.726669 8.086980 6.764352 8.285619 6.377392 9.798070 8.751403 8.275764 10.496115 10.091800 11.522853 10.762751 9.438344 9.490939 8.718669 8.103122 6.766951 1.093131 2.162941 3.415226 3.903930 3.364390 2.161667 0.000000 6.056694 5.818962 7.311635 7.434060 5.332841 6.006514 8.002656 4.340579 4.147490 5.034878 5.885174 4.123268 3.731694 5.352765 10.053130 9.677487 8.383144 9.329073 8.212544 11.120960 10.498804 8.494496 10.604142 9.902835 11.682129 10.353849 9.790045 10.096300 8.559533 7.732943 7.214909 2.158013 1.092408 2.158319 3.413322 3.817786 3.413843 2.486735 0.000000 6.202562 6.446609 6.356127 7.336260 5.111915 5.177262 7.461069 4.448178 3.793298 3.956966 4.668113 4.832547 3.663494 3.980992 9.686255 9.659218 8.536406 8.711528 8.683984 10.675127 10.621488 7.230785 9.144539 8.293746 10.213091 8.608800 8.536915 9.019695 7.041623 6.157039 5.983795 3.414932 2.162020 1.093389 2.163338 3.366061 3.905719 4.315479 2.486013 0.000000 5.136437 5.721742 4.467233 5.858064 4.171456 3.791110 5.665381 4.251791 3.977311 3.611746 3.534619 4.947742 4.507691 3.942506 7.811037 8.006593 7.104959 6.764301 7.496812 8.706905 9.007788 5.312821 7.200392 6.535482 8.226873 7.006744 6.520310 6.945267 5.307967 4.636295 3.581753 3.903363 3.424846 2.181679 1.092812 2.161508 3.432033 4.996431 4.328085 2.515985 0.000000 3.329592 2.962890 5.124890 4.271691 3.690130 4.576270 5.094127 3.827468 4.797041 5.484781 5.413159 3.602760 5.314161 6.410178 6.599370 6.030129 4.846206 6.223843 4.641235 7.621977 6.712824 6.684753 8.873393 8.723690 9.825237 9.548673 7.682164 7.566305 7.408219 7.035341 4.794567 2.174805 3.421201 3.904588 3.436483 2.168558 1.092423 2.502958 4.321872 4.997950 4.327342 0.000000 C20H15BIN4O(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 449.9556699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,31,11,18,27,29,2;33,32,34,37,35,36/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(17,18)(19,20);(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.4,17.2,18.2,21.1;1.3,2.3,3.3,4.3,5.3,6.2/rA:42nC3O1B4C3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHIC3C3C3C3C2C3HHHHH/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s23;s27;s22s24;s29;s3;;s32;s33;s34;s35;s32s36;s32;s33;s34;s35;s37;/rC:-.7183,-2.0447,-.9774;-1.5507,-2.9268,-1.0578;1.1558,.1835,-.2795;.6817,-2.3576,-.5451;-1.0487,-.6435,-1.3839;-.1826,.4298,-1.119;1.6216,-1.3462,-.2824;-2.2541,-.4082,-2.0496;-2.5535,.8838,-2.4534;-1.6216,1.8874,-2.1882;-.4759,1.6764,-1.5468;-2.9326,-1.2446,-2.2273;-3.4876,1.1191,-2.9648;-1.8145,2.9151,-2.5149;3.2623,-2.9294,.0933;2.3777,-3.992,-.0941;1.0639,-3.6961,-.4312;2.9043,-1.6514,.006;.3213,-4.475,-.6179;4.3149,-3.1258,.3246;2.7235,-5.0218,.0071;2.3247,1.1903,-.671;4.3381,2.0966,-.938;3.4105,3.0051,-1.3589;5.4211,2.1561,-.9042;3.5332,4.0054,-1.7613;3.6371,.9884,-.5237;3.9366,.0631,-.1778;2.1807,2.415,-1.1845;1.2195,2.7186,-1.4118;.6819,.6925,1.9363;-4.7565,-.8611,.4027;-5.1824,.4337,.0975;-4.3881,1.5363,.4199;-3.1522,1.3531,1.0539;-2.786,.0558,1.3393;-3.5272,-1.0676,1.0428;-5.38,-1.7197,.1401;-6.1438,.5846,-.3988;-4.7275,2.546,.1733;-2.5049,2.1985,1.3;-3.1751,-2.0765,1.2697; 0.2198355 0.1383386 0.1216507 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. Defaulting to unpruned grid for atomic number 53. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 490 490 490 490 490 MxSgAt= 42 MxSgA2= 42. 1 open 1 1 1 -1386.89403553927 -1386.89403554 1 0.7623 1.191299162902e+03 -8.502885126164e+03 3.253267382607e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572365918 LenY= 1572122376 Requested convergence on RMS density matrix=1.00D-08 within 32 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. 0.7623 Using compressed storage, NAtomX= 42. Will process 43 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=111111111111111111111111111111111111111111 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. Defaulting to unpruned grid for atomic number 53. 12671 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1572864000 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 126 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 126 NMatS0= 126 NMatT0= 0 NMatD0= 126 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. There are 129 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 126 vectors produced by pass 0 Test12= 7.33D-14 1.00D-09 XBig12= 3.48D+02 3.22D+00. AX will form 126 AO Fock derivatives at one time. 126 vectors produced by pass 1 Test12= 7.33D-14 1.00D-09 XBig12= 5.57D+01 8.01D-01. 126 vectors produced by pass 2 Test12= 7.33D-14 1.00D-09 XBig12= 9.99D-01 1.22D-01. 126 vectors produced by pass 3 Test12= 7.33D-14 1.00D-09 XBig12= 1.35D-02 1.66D-02. 126 vectors produced by pass 4 Test12= 7.33D-14 1.00D-09 XBig12= 1.91D-04 2.23D-03. 126 vectors produced by pass 5 Test12= 7.33D-14 1.00D-09 XBig12= 1.94D-06 1.70D-04. 126 vectors produced by pass 6 Test12= 7.33D-14 1.00D-09 XBig12= 2.35D-08 1.47D-05. 91 vectors produced by pass 7 Test12= 7.33D-14 1.00D-09 XBig12= 1.86D-10 1.10D-06. 30 vectors produced by pass 8 Test12= 7.33D-14 1.00D-09 XBig12= 1.58D-12 9.79D-08. 3 vectors produced by pass 9 Test12= 7.33D-14 1.00D-09 XBig12= 1.73D-14 1.18D-08. 2 vectors produced by pass 10 Test12= 7.33D-14 1.00D-09 XBig12= 2.27D-16 1.21D-09. InvSVY: IOpt=1 It= 1 EMax= 7.11D-15 Solved reduced A of dimension 1008 with 129 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 266.71 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 318.359 -3.086 292.950 30.994 -15.125 188.825 349.264 7.840 362.072 46.327 -14.145 238.334 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 C O B C C C C C C C N H H H C C C N H H H C C C H H N H N H I C C C C C C H H H H H 13 17 11 13 13 13 13 13 13 13 14 1 1 1 13 13 13 14 1 1 1 13 13 13 1 1 14 1 14 1 127 13 13 13 13 13 13 1 1 1 1 1 0.00025 -0.00031 -0.00053 -0.00006 0.00065 0.00033 0.00005 0.00018 -0.00035 0.00030 -0.00043 -0.00003 0.00002 -0.00002 0.00002 -0.00002 0.00002 0.00007 -0.00000 -0.00000 0.00000 0.00095 -0.00002 0.00004 0.00000 -0.00000 0.00005 -0.00000 0.00001 -0.00000 0.00002 0.05965 -0.01248 0.05600 0.00126 0.55860 0.00688 0.00221 0.00107 0.00219 0.00988 0.01024 0.28361 0.18977 -0.75360 -0.06472 0.73442 0.36733 0.05786 0.20341 -0.39063 0.34283 -0.13739 -0.13943 0.08243 -0.11171 0.02581 -0.02748 0.01808 0.02319 -0.00477 -0.00311 0.01041 1.07300 -0.02105 0.04833 0.00445 -0.00772 0.01649 -0.01040 0.00281 -0.00400 0.01835 67.05260 -14.02545 62.95645 1.42080 627.97679 7.73028 9.86557 4.77778 9.78144 44.15708 45.76855 0.10120 0.06771 -0.26890 -0.02309 0.26206 0.13107 0.02065 0.07258 -0.13939 0.12233 -0.04902 -0.04975 0.02941 -0.03986 0.00921 -0.00981 0.00645 0.00828 -0.00170 -0.00111 0.00371 0.38287 -0.00751 0.01725 0.00159 -0.00275 0.00588 -0.00371 0.00100 -0.00143 0.00655 23.92603 -5.00463 22.46443 0.50698 224.07774 2.75836 3.52028 1.70483 3.49026 15.75635 16.33136 0.09460 0.06330 -0.25138 -0.02159 0.24498 0.12253 0.01930 0.06785 -0.13030 0.11435 -0.04583 -0.04651 0.02750 -0.03726 0.00861 -0.00917 0.00603 0.00774 -0.00159 -0.00104 0.00347 0.35791 -0.00702 0.01612 0.00148 -0.00257 0.00550 -0.00347 0.00094 -0.00133 0.00612 22.36634 -4.67839 21.00001 0.47393 209.47051 2.57854 3.29080 1.59369 3.26274 14.72922 15.26675 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 -0.001047 -0.001268 0.002856 0.000776 -0.001795 0.001978 0.001599 -0.002971 -0.001636 -0.002048 -0.000214 -0.001983 -0.001311 -0.001066 0.000570 0.000392 0.000164 0.001204 -0.000210 0.000458 0.000166 0.001253 0.000555 0.000294 0.000383 0.000185 0.000556 0.000919 0.000457 0.000266 0.017707 0.034847 0.016263 0.029633 -0.002873 0.636341 0.027651 0.002219 0.000316 -0.001828 -0.010779 -0.007444 -0.000142 0.001817 -0.002048 -0.000101 -0.003204 -0.004483 -0.001057 -0.003736 -0.001100 -0.001530 -0.000109 -0.001602 -0.001027 0.000031 -0.000187 0.000188 0.000326 -0.000307 0.000658 -0.000137 0.000152 -0.000834 -0.000264 -0.000216 -0.000206 -0.000059 -0.000807 -0.000549 -0.000374 -0.000241 -0.007859 -0.043564 0.021982 -0.038444 0.077195 -0.513760 0.044965 0.001689 0.001624 0.005726 0.022374 0.019178 0.001189 -0.000550 -0.000809 -0.000676 0.004999 0.002506 -0.000542 0.006707 0.002736 0.003578 0.000324 0.003584 0.002338 0.001035 -0.000383 -0.000580 -0.000490 -0.000897 -0.000448 -0.000321 -0.000319 -0.000419 -0.000290 -0.000078 -0.000176 -0.000125 0.000251 -0.000370 -0.000083 -0.000025 -0.009848 0.008717 -0.038245 0.008811 -0.074322 -0.122582 -0.072616 -0.003907 -0.001940 -0.003897 -0.011594 -0.011734 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 -0.002171 -0.000492 0.000413 -0.001746 -0.000829 0.000742 -0.001093 -0.000205 0.000065 0.000206 0.001529 0.000360 -0.000169 0.000224 -0.000610 -0.000717 -0.001094 -0.000577 -0.000859 -0.000401 -0.000504 0.000821 0.000285 0.000432 0.000179 0.000347 0.000196 -0.000065 0.000697 0.000844 0.007725 -0.006519 0.000522 -0.016614 -0.039549 -0.180963 0.055486 0.007062 0.000158 -0.005850 -0.001109 0.010287 -0.002583 0.000270 -0.002214 -0.001459 -0.003598 -0.006143 -0.001494 -0.001767 0.000560 -0.001921 -0.000866 0.000390 0.000715 -0.000449 -0.000311 -0.000236 -0.000605 -0.000521 -0.000418 -0.000152 -0.000151 -0.001153 -0.000361 -0.000393 -0.000222 -0.000289 -0.000686 -0.000507 -0.000733 -0.000941 0.000498 0.018089 0.037396 0.014718 0.055771 0.517170 0.068525 0.003436 0.001596 0.002152 0.000634 0.001813 0.003135 0.001974 -0.000105 0.001270 0.002113 -0.000700 0.000734 0.001495 -0.001598 -0.001537 -0.002580 0.002020 -0.000811 -0.001580 0.000169 0.000263 0.000651 0.000244 0.000691 0.000084 0.000161 -0.000383 -0.000185 -0.000160 -0.000066 -0.000216 0.000182 0.000037 -0.000402 -0.000785 0.000118 -0.000411 -0.005337 -0.005353 -0.036646 -0.079578 0.020510 0.003121 -0.000234 -0.003798 -0.003627 0.003767 0.8236 0.5595 0.0932 0.3326 -0.6094 0.7197 -0.4595 0.5617 0.688 -0.0028 -0.0027 0.0055 -0.378 -0.357 0.735 -0.135 -0.127 0.262 -0.126 -0.119 0.245 1 C 13 -0.56 -0.4372 0.7038 0.8255 -0.2222 0.5188 -0.0704 0.8715 0.4853 -0.002 -0.001 0.003 0.144 0.07 -0.214 0.051 0.025 -0.076 0.048 0.023 -0.071 2 O 17 -0.1901 0.9498 -0.2485 0.3851 0.305 0.871 0.9031 0.0699 -0.4238 -0.0021 -0.0018 0.0039 -0.36 -0.312 0.672 -0.128 -0.111 0.24 -0.12 -0.104 0.224 3 B 11 0.102 -0.549 0.8296 0.7104 0.624 0.3256 0.6964 -0.5561 -0.4536 -0.0017 -0.0014 0.0031 -0.227 -0.191 0.419 -0.081 -0.068 0.149 -0.076 -0.064 0.14 4 C 13 -0.094 0.958 -0.2709 0.9181 0.1886 0.3487 -0.3851 0.2159 0.8972 -0.0037 -0.0033 0.0071 -0.499 -0.447 0.946 -0.178 -0.16 0.338 -0.167 -0.149 0.316 5 C 13 -0.1105 0.9939 0.0024 0.7155 0.0779 0.6943 -0.6899 -0.0784 0.7197 -0.0046 -0.0039 0.0085 -0.613 -0.524 1.137 -0.219 -0.187 0.406 -0.204 -0.175 0.379 6 C 13 0.0283 0.8345 -0.5502 0.5465 0.448 0.7076 0.837 -0.3207 -0.4434 -0.0016 -0.0012 0.0028 -0.212 -0.165 0.377 -0.076 -0.059 0.135 -0.071 -0.055 0.126 7 C 13 -0.0622 0.9869 -0.1488 0.9832 0.0862 0.161 -0.1718 0.1363 0.9757 -0.0039 -0.0033 0.0072 -0.53 -0.44 0.97 -0.189 -0.157 0.346 -0.177 -0.147 0.323 8 C 13 0.71 -0.6358 -0.3027 0.6969 0.6959 0.1732 0.1006 -0.334 0.9372 -0.0019 -0.0014 0.0034 -0.259 -0.192 0.452 -0.093 -0.069 0.161 -0.087 -0.064 0.151 9 C 13 0.8938 0.2887 0.3431 -0.352 0.9258 0.1379 -0.2778 -0.244 0.9291 -0.0027 -0.0018 0.0046 -0.365 -0.247 0.611 -0.13 -0.088 0.218 -0.122 -0.082 0.204 10 C 13 -0.2726 0.7633 0.5857 0.8665 -0.0697 0.4942 -0.4181 -0.6423 0.6424 -0.0026 -8.0E-4 0.0035 -0.102 -0.032 0.134 -0.036 -0.011 0.048 -0.034 -0.011 0.045 11 N 14 -0.4771 0.8418 -0.2526 0.8755 0.43 -0.2205 0.077 0.3263 0.9421 -0.0024 -0.0019 0.0043 -1.287 -1.016 2.303 -0.459 -0.363 0.822 -0.429 -0.339 0.768 12 H 1 0.9831 0.0607 -0.1727 -0.0203 0.9738 0.2266 0.1819 -0.2193 0.9585 -0.0014 -0.0012 0.0027 -0.772 -0.647 1.419 -0.276 -0.231 0.506 -0.258 -0.216 0.473 13 H 1 0.7285 0.4838 0.485 0.6691 -0.6545 -0.352 -0.1471 -0.581 0.8005 -0.0012 -0.001 0.0023 -0.649 -0.559 1.208 -0.231 -0.2 0.431 -0.216 -0.187 0.403 14 H 1 0.4978 0.8654 0.0582 0.187 -0.1726 0.9671 0.8469 -0.4705 -0.2477 -5.0E-4 -5.0E-4 0.001 -0.071 -0.063 0.134 -0.025 -0.023 0.048 -0.024 -0.021 0.045 15 C 13 0.0284 -0.2741 0.9613 0.6772 0.7126 0.1831 0.7352 -0.6458 -0.2058 -7.0E-4 -4.0E-4 0.0011 -0.089 -0.057 0.146 -0.032 -0.02 0.052 -0.03 -0.019 0.049 16 C 13 0.7358 0.6771 0.0118 0.2463 -0.2838 0.9267 -0.6308 0.679 0.3756 -9.0E-4 -8.0E-4 0.0017 -0.114 -0.114 0.228 -0.041 -0.041 0.081 -0.038 -0.038 0.076 17 C 13 0.1779 -0.1817 0.9671 0.3499 0.9303 0.1104 0.9197 -0.3188 -0.229 -0.001 -5.0E-4 0.0015 -0.04 -0.019 0.059 -0.014 -0.007 0.021 -0.013 -0.006 0.02 18 N 14 0.0738 -0.3958 0.9154 0.872 0.4709 0.1334 -0.4839 0.7884 0.3799 -8.0E-4 -7.0E-4 0.0015 -0.416 -0.394 0.81 -0.149 -0.14 0.289 -0.139 -0.131 0.27 19 H 1 -0.0507 -0.4421 0.8956 0.4727 0.7793 0.4114 0.8798 -0.4442 -0.1695 -4.0E-4 -3.0E-4 7.0E-4 -0.189 -0.179 0.368 -0.067 -0.064 0.131 -0.063 -0.06 0.123 20 H 1 -0.0908 -0.3735 0.9232 0.7134 0.6224 0.322 0.6949 -0.6878 -0.2099 -4.0E-4 -3.0E-4 7.0E-4 -0.197 -0.182 0.379 -0.07 -0.065 0.135 -0.066 -0.061 0.126 21 H 1 -0.3703 0.923 -0.1047 0.368 0.2492 0.8958 0.8529 0.2932 -0.4319 -0.0011 -0.001 0.0021 -0.15 -0.134 0.284 -0.054 -0.048 0.101 -0.05 -0.045 0.095 22 C 13 0.141 0.5423 0.8282 -0.4373 0.7847 -0.4394 0.8882 0.3002 -0.3478 -5.0E-4 -3.0E-4 8.0E-4 -0.063 -0.043 0.106 -0.023 -0.015 0.038 -0.021 -0.014 0.035 23 C 13 -0.5644 0.7902 -0.2387 0.2559 0.4424 0.8595 0.7848 0.424 -0.452 -5.0E-4 -3.0E-4 8.0E-4 -0.064 -0.037 0.101 -0.023 -0.013 0.036 -0.021 -0.012 0.034 24 C 13 -0.0471 0.8397 0.541 0.407 -0.4785 0.7781 0.9122 0.2568 -0.3192 -3.0E-4 -3.0E-4 5.0E-4 -0.138 -0.134 0.272 -0.049 -0.048 0.097 -0.046 -0.045 0.091 25 H 1 -0.1974 0.779 0.5951 0.6547 -0.3472 0.6715 0.7297 0.5221 -0.4415 -3.0E-4 -3.0E-4 6.0E-4 -0.166 -0.158 0.324 -0.059 -0.056 0.116 -0.055 -0.053 0.108 26 H 1 -0.259 0.9199 -0.2946 0.5666 0.3917 0.725 0.7823 0.0209 -0.6226 -9.0E-4 -2.0E-4 0.0011 -0.036 -0.007 0.043 -0.013 -0.003 0.015 -0.012 -0.002 0.014 27 N 14 -0.1693 0.7855 -0.5952 0.2836 0.6172 0.7339 0.9439 -0.0445 -0.3273 -6.0E-4 -5.0E-4 0.0011 -0.3 -0.286 0.586 -0.107 -0.102 0.209 -0.1 -0.095 0.195 28 H 1 -0.5147 0.856 -0.0481 0.4126 0.2965 0.8613 0.7516 0.4235 -0.5058 -8.0E-4 -6.0E-4 0.0013 -0.03 -0.022 0.052 -0.011 -0.008 0.018 -0.01 -0.007 0.017 29 N 14 -0.0957 0.7982 0.5947 0.7535 -0.3323 0.5672 0.6504 0.5024 -0.5697 -9.0E-4 -8.0E-4 0.0017 -0.495 -0.434 0.929 -0.177 -0.155 0.332 -0.165 -0.145 0.31 30 H 1 -0.2684 0.9548 0.1276 0.0178 -0.1275 0.9917 0.9631 0.2684 0.0172 -0.01 -0.0099 0.0199 -1.076 -1.059 2.136 -0.384 -0.378 0.762 -0.359 -0.353 0.712 31 I 127 0.0873 0.9959 -0.0221 -0.4474 0.059 0.8924 0.8901 -0.068 0.4507 -0.0441 -4.0E-4 0.0445 -5.921 -0.051 5.972 -2.113 -0.018 2.131 -1.975 -0.017 1.992 32 C 13 -0.4513 0.0627 0.8902 0.1578 0.9874 0.0105 0.8783 -0.1452 0.4555 -0.0576 0.022 0.0356 -7.726 2.953 4.773 -2.757 1.054 1.703 -2.577 0.985 1.592 33 C 13 0.217 0.9754 0.0396 -0.4331 0.0598 0.8993 0.8748 -0.2123 0.4354 -0.0424 0.0014 0.041 -5.684 0.183 5.501 -2.028 0.065 1.963 -1.896 0.061 1.835 34 C 13 -0.4504 0.0807 0.8892 0.7761 0.5277 0.3452 -0.4413 0.8456 -0.3003 -0.1059 -0.005 0.1108 -14.21 -0.665 14.875 -5.071 -0.237 5.308 -4.74 -0.222 4.962 35 C 13 0.1516 0.9884 6.0E-4 -0.4416 0.0671 0.8947 0.8843 -0.1359 0.4467 -0.5416 -0.3838 0.9254 -72.672 -51.508 124.18 -25.931 -18.379 44.311 -24.241 -17.181 41.422 36 C 13 -0.4677 0.0514 0.8824 -0.5601 0.7551 -0.3408 0.6838 0.6536 0.3243 -0.1077 -0.0055 0.1132 -14.458 -0.731 15.189 -5.159 -0.261 5.42 -4.823 -0.244 5.067 37 C 13 -0.4539 0.0603 0.889 -0.5669 0.7502 -0.3403 0.6875 0.6584 0.3063 -0.0055 -0.0051 0.0105 -2.908 -2.702 5.609 -1.038 -0.964 2.002 -0.97 -0.901 1.871 38 H 1 -0.4593 0.0634 0.886 0.884 -0.0648 0.463 0.0868 0.9959 -0.0263 -0.0028 0.0011 0.0016 -1.485 0.608 0.877 -0.53 0.217 0.313 -0.496 0.203 0.293 39 H 1 -0.3741 0.1188 0.9198 0.8062 0.5318 0.2592 -0.4583 0.8385 -0.2947 -0.0053 -0.005 0.0103 -2.808 -2.665 5.473 -1.002 -0.951 1.953 -0.937 -0.889 1.826 40 H 1 -0.3549 0.0864 0.9309 0.9343 0.0698 0.3497 -0.0348 0.9938 -0.1055 -0.0122 -0.0106 0.0228 -6.495 -5.669 12.164 -2.317 -2.023 4.34 -2.166 -1.891 4.057 41 H 1 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l716.exe) PT30741.500S 2024-09-25T19:03:39.000 -19.24301 -14.52392 -14.52343 -14.45154 -14.44912 -10.38700 -10.37910 -10.36627 -10.36567 -10.34629 -10.34324 -10.32723 -10.32439 -10.32301 -10.31868 -10.31310 -10.30921 -10.30868 -10.30638 -10.30599 -10.29944 -10.29859 -10.29429 -10.29423 -10.29319 -6.90482 -6.84360 -4.92366 -4.91405 -4.91353 -1.95775 -1.95498 -1.95455 -1.94632 -1.94631 -1.16609 -1.13155 -1.04361 -1.04084 -1.02132 -0.94494 -0.90880 -0.89997 -0.89301 -0.87434 -0.85061 -0.83199 -0.82380 -0.76656 -0.76112 -0.74808 -0.74732 -0.72578 -0.71955 -0.70389 -0.68753 -0.68457 -0.67040 -0.64661 -0.62297 -0.61338 -0.59815 -0.59473 -0.58600 -0.57558 -0.57246 -0.56337 -0.55986 -0.55153 -0.55142 -0.53033 -0.52579 -0.52392 -0.51289 -0.50281 -0.50038 -0.49871 -0.49224 -0.48488 -0.48143 -0.47238 -0.46307 -0.45118 -0.44484 -0.42803 -0.42485 -0.42186 -0.39944 -0.37248 -0.36371 -0.35730 -0.35521 -0.34402 -0.33849 -0.33253 -0.32378 -0.32027 -0.31980 -0.30925 -0.29172 -0.27833 -0.01231 0.01592 0.04513 0.05211 0.06382 0.06821 0.07430 0.07971 0.12795 0.13173 0.14629 0.15284 0.16449 0.16745 0.17022 0.18222 0.18927 0.19277 0.20339 0.21044 0.21250 0.22213 0.22688 0.22933 0.23397 0.23914 0.24471 0.24883 0.25095 0.25556 0.26355 0.27650 0.29035 0.29197 0.31326 0.31902 0.33529 0.34416 0.35008 0.35538 0.35953 0.36377 0.37188 0.37481 0.37596 0.38462 0.39008 0.39228 0.39488 0.40427 0.40923 0.41232 0.43235 0.44198 0.44772 0.45524 0.46584 0.47247 0.48036 0.48101 0.48252 0.49102 0.49564 0.50725 0.51296 0.51724 0.52111 0.52277 0.52517 0.52973 0.53786 0.54149 0.54241 0.54611 0.54953 0.55843 0.56444 0.56954 0.57868 0.58416 0.58936 0.59300 0.59956 0.60008 0.61353 0.61800 0.61972 0.62101 0.63614 0.64430 0.64922 0.65954 0.66482 0.67018 0.67219 0.68019 0.69090 0.69364 0.70751 0.71168 0.72154 0.72255 0.72727 0.72977 0.73431 0.74153 0.74651 0.74971 0.75254 0.75996 0.76241 0.76559 0.76952 0.77441 0.78261 0.78861 0.79329 0.79769 0.80153 0.80707 0.81233 0.81400 0.81701 0.82169 0.82795 0.83506 0.84064 0.84447 0.84553 0.85162 0.86102 0.86723 0.87368 0.87864 0.88003 0.89380 0.89721 0.90964 0.91639 0.91869 0.93825 0.95017 0.95092 0.95985 0.97378 0.97993 0.98407 0.99816 1.01627 1.02474 1.03184 1.04907 1.05253 1.05949 1.06690 1.09459 1.10450 1.12033 1.12888 1.15349 1.16532 1.17734 1.18917 1.19480 1.20307 1.21171 1.22530 1.22950 1.24051 1.25660 1.26602 1.26815 1.27855 1.29334 1.30071 1.30981 1.31683 1.32235 1.33377 1.34262 1.34686 1.35503 1.36381 1.36862 1.37030 1.37628 1.38147 1.38331 1.39020 1.40507 1.40722 1.42020 1.42603 1.44113 1.45711 1.46033 1.46955 1.48499 1.53226 1.53524 1.55260 1.55968 1.58090 1.58612 1.61056 1.62050 1.62916 1.63842 1.66495 1.68096 1.71761 1.72886 1.75017 1.76111 1.77314 1.77872 1.78515 1.78818 1.79145 1.81291 1.81612 1.81899 1.82772 1.83397 1.83824 1.84481 1.84551 1.85096 1.85453 1.86002 1.86383 1.87148 1.87694 1.87987 1.88430 1.89163 1.89282 1.90825 1.93087 1.93383 1.95016 1.95692 1.95905 1.97138 1.97905 1.98298 2.00287 2.01022 2.01604 2.02234 2.02480 2.02975 2.03747 2.04600 2.05461 2.06286 2.07432 2.07836 2.08729 2.09070 2.09949 2.12656 2.13219 2.13803 2.14271 2.14847 2.17886 2.19104 2.20365 2.21485 2.22575 2.23475 2.23856 2.25510 2.26164 2.27581 2.28759 2.29413 2.31762 2.32682 2.34386 2.35620 2.37147 2.37347 2.38276 2.39506 2.39934 2.40589 2.40679 2.41787 2.42890 2.43069 2.44739 2.45815 2.46242 2.46830 2.48788 2.50442 2.50613 2.51251 2.51742 2.53744 2.55157 2.56926 2.58853 2.61722 2.62477 2.66716 2.67890 2.68453 2.69017 2.69792 2.73981 2.74304 2.75028 2.76225 2.78074 2.80093 2.80615 2.80996 2.81328 2.81828 2.82324 2.83082 2.84896 2.85125 2.86523 2.89621 2.90652 2.91115 2.92970 2.93207 2.94123 2.94850 2.96584 2.99448 3.00793 3.05042 3.06702 3.10018 3.10296 3.12650 3.12960 3.18926 3.19653 3.20749 3.22048 3.24290 3.26311 3.29365 3.37516 3.45103 3.46599 3.49076 3.60157 3.67177 3.69585 3.72222 3.75342 3.75454 18.93076 19.03810 19.17182 56.78084 -19.24302 -14.52391 -14.52343 -14.45154 -14.44914 -10.38700 -10.37909 -10.36627 -10.36567 -10.34629 -10.34322 -10.32722 -10.32436 -10.32301 -10.31866 -10.31310 -10.30923 -10.30868 -10.30600 -10.29822 -10.29732 -10.29478 -10.29462 -10.29383 -10.29218 -6.90463 -6.84362 -4.92356 -4.91375 -4.91341 -1.95762 -1.95477 -1.95445 -1.94611 -1.94610 -1.16608 -1.13157 -1.04361 -1.04083 -1.02132 -0.93712 -0.90879 -0.89995 -0.89300 -0.87433 -0.85057 -0.82868 -0.81163 -0.76641 -0.76107 -0.74764 -0.74728 -0.72577 -0.71893 -0.70387 -0.68738 -0.68038 -0.65783 -0.64661 -0.62296 -0.61333 -0.59813 -0.58706 -0.58596 -0.57554 -0.57245 -0.56336 -0.55983 -0.55152 -0.55142 -0.52478 -0.52231 -0.51782 -0.51258 -0.50028 -0.49954 -0.49750 -0.49214 -0.48486 -0.48138 -0.47224 -0.44990 -0.44791 -0.44436 -0.42799 -0.42197 -0.41946 -0.39915 -0.37244 -0.36361 -0.35687 -0.35479 -0.34359 -0.33719 -0.33252 -0.32250 -0.31585 -0.30977 -0.29216 -0.29056 -0.01275 0.01377 0.01660 0.04564 0.05223 0.06420 0.06723 0.07971 0.08655 0.12793 0.13176 0.14708 0.15290 0.16516 0.16788 0.17033 0.18244 0.18979 0.19287 0.20385 0.21070 0.21260 0.22216 0.22709 0.22945 0.23504 0.24058 0.24689 0.24966 0.25480 0.25641 0.26399 0.27664 0.29041 0.29220 0.31328 0.31971 0.33589 0.34442 0.35374 0.35592 0.35983 0.36526 0.37250 0.37547 0.37666 0.38587 0.39156 0.39445 0.39746 0.40626 0.41153 0.42122 0.43303 0.44221 0.44846 0.45754 0.46912 0.47297 0.48075 0.48132 0.48776 0.49216 0.49638 0.50890 0.51354 0.51857 0.52220 0.52445 0.52630 0.53009 0.53834 0.54197 0.54355 0.54651 0.55080 0.55892 0.56566 0.57011 0.57962 0.58496 0.59085 0.59457 0.60031 0.60088 0.61466 0.61984 0.62048 0.62565 0.63658 0.64465 0.65100 0.66028 0.67113 0.67220 0.67473 0.69101 0.69232 0.69526 0.70788 0.71209 0.72179 0.72296 0.72756 0.73048 0.73612 0.74368 0.74707 0.75017 0.75340 0.76005 0.76286 0.76723 0.77072 0.77600 0.78275 0.78992 0.79376 0.79812 0.80235 0.80871 0.81265 0.81565 0.81731 0.82353 0.82945 0.83821 0.84266 0.84565 0.84811 0.85237 0.86247 0.86754 0.87446 0.88090 0.88132 0.89545 0.89825 0.91072 0.91740 0.92398 0.93970 0.95157 0.95195 0.96339 0.97646 0.98399 0.98569 0.99896 1.01887 1.02605 1.03592 1.04958 1.05272 1.05974 1.06707 1.09661 1.10535 1.12214 1.12999 1.15423 1.16617 1.17779 1.18945 1.19497 1.20510 1.21247 1.22574 1.23009 1.24069 1.25686 1.26607 1.26853 1.27963 1.29338 1.30121 1.30992 1.31784 1.32252 1.33439 1.34439 1.34850 1.35565 1.36423 1.36970 1.37095 1.37649 1.38187 1.38478 1.39057 1.40603 1.40743 1.42063 1.42631 1.44273 1.45720 1.46160 1.46957 1.48572 1.53329 1.54163 1.55329 1.56486 1.58125 1.60142 1.61116 1.62334 1.62957 1.63860 1.66496 1.68126 1.71777 1.73981 1.75094 1.76397 1.77408 1.77904 1.78521 1.78967 1.79195 1.81294 1.81850 1.81951 1.82854 1.83868 1.83935 1.84558 1.84614 1.85353 1.85634 1.86250 1.86561 1.87173 1.88049 1.88131 1.88809 1.89350 1.89544 1.91161 1.93262 1.94619 1.95094 1.95765 1.96903 1.97260 1.97919 1.98344 2.00289 2.01060 2.01629 2.02377 2.02964 2.03723 2.03869 2.04626 2.05502 2.06348 2.07525 2.07965 2.08813 2.09136 2.09959 2.12670 2.13548 2.14042 2.14658 2.15278 2.18095 2.19120 2.20369 2.21506 2.22577 2.23494 2.23971 2.25921 2.26811 2.27846 2.28822 2.29783 2.32058 2.32685 2.34395 2.35656 2.37216 2.37633 2.38300 2.39627 2.40052 2.41305 2.41916 2.42160 2.42929 2.44025 2.44767 2.45841 2.46430 2.47291 2.48807 2.50452 2.50620 2.51256 2.51761 2.53752 2.55160 2.56927 2.58857 2.61735 2.62970 2.66722 2.67935 2.68463 2.69053 2.69944 2.73985 2.75186 2.75787 2.76281 2.78075 2.80102 2.80615 2.81004 2.81378 2.81934 2.82351 2.83089 2.84919 2.85125 2.86530 2.89622 2.90653 2.91116 2.93172 2.94062 2.95118 2.95264 2.96592 2.99975 3.00795 3.05044 3.06704 3.10020 3.10298 3.12936 3.13540 3.18926 3.19654 3.20754 3.22528 3.24288 3.26311 3.30237 3.37516 3.45103 3.46599 3.49076 3.60158 3.67177 3.70237 3.72222 3.75341 3.75454 18.93095 19.03866 19.17201 56.78091 2-A. 1.71661491e+00 1.03330602e+00 -1.86194853e+00 3.18359203e+02 -3.08643016e+00 2.92949603e+02 3.09942485e+01 -1.51252375e+01 1.88824922e+02 -4.3660 -3.0774 0.0002 0.0005 0.0006 3.1360 13.5003 18.1730 44.0689 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 13.4806 18.1569 44.0682 48.5648 53.6263 61.9057 62.4802 64.3930 78.7479 96.2047 109.4904 119.6776 148.6288 159.3334 207.8715 227.4837 245.8891 262.3510 285.7672 291.8845 346.7201 363.3834 405.0903 421.1490 424.8025 433.1141 467.4096 472.6078 525.7056 578.9527 603.5214 613.5747 629.0969 639.5619 642.9903 677.1716 691.0622 699.1964 733.6398 742.7354 752.8377 766.3099 777.8974 792.0827 819.0741 836.4361 841.3058 872.4898 873.4935 893.7954 912.6812 913.2578 928.8758 934.7207 951.1211 970.0917 979.3844 993.9763 998.3807 1004.1394 1015.7530 1022.7920 1032.4540 1036.0833 1041.6632 1056.1564 1077.0462 1080.8029 1091.1023 1096.5680 1118.7148 1123.0805 1132.0690 1168.6737 1171.6131 1175.4295 1191.6951 1198.4235 1235.8230 1286.5335 1292.7731 1300.0944 1312.1299 1319.6869 1326.0257 1329.4411 1344.9588 1360.1456 1460.9258 1473.9505 1477.5575 1486.1729 1488.0678 1498.9469 1509.3276 1539.0096 1569.4073 1627.2619 1651.0827 1652.3028 1662.7488 1679.6146 1679.7989 1680.4315 1816.5983 3179.7750 3180.6276 3192.1881 3200.7238 3211.3654 3215.7757 3222.3669 3222.7664 3226.8327 3235.8709 3240.0802 3306.6525 3325.8297 3364.8023 3388.3895 4.9250 6.8281 6.3183 6.2807 7.6415 6.6251 7.8129 5.6983 5.6013 5.5237 4.9946 4.9140 5.8837 5.1298 7.9118 6.0748 6.7890 5.6265 5.6380 7.6374 7.1030 6.6500 2.7881 8.0247 5.4907 3.5380 4.5418 4.4913 3.4631 8.4876 6.3807 6.9162 4.8767 3.4432 7.7231 7.3387 2.1570 8.5142 1.4444 1.6275 3.6275 3.1818 4.8096 2.1761 1.9337 1.9002 1.2622 1.7191 2.7964 3.3301 1.4890 1.3622 2.7518 1.3037 5.5300 7.6565 6.7492 1.3958 1.4138 1.4302 2.2155 1.3259 1.4194 4.0504 1.4114 1.8747 1.3204 1.4692 2.1960 1.8265 1.7032 1.7141 1.6444 1.1164 1.1150 1.9435 2.3286 1.8658 2.8020 1.7431 1.8943 1.3310 2.6487 3.5854 3.0478 8.0136 2.3924 5.8762 3.2764 2.3143 3.3690 2.3311 3.3261 2.6629 3.1967 5.8990 5.9122 5.6068 6.8261 3.9578 7.3733 7.0907 7.0697 7.0640 12.7637 1.0917 1.0918 1.0855 1.0886 1.0942 1.0952 1.0907 1.1003 1.0907 1.0996 1.0996 1.0933 1.1115 1.0862 1.0906 0.0005 0.0013 0.0072 0.0087 0.0129 0.0150 0.0180 0.0139 0.0205 0.0301 0.0353 0.0415 0.0766 0.0767 0.2014 0.1852 0.2418 0.2282 0.2713 0.3834 0.5031 0.5174 0.2696 0.8386 0.5838 0.3910 0.5846 0.5911 0.5639 1.6762 1.3693 1.5341 1.1371 0.8298 1.8813 1.9828 0.6069 2.4524 0.4580 0.5290 1.2113 1.1009 1.7148 0.8044 0.7643 0.7833 0.5264 0.7710 1.2571 1.5674 0.7308 0.6694 1.3989 0.6711 2.9474 4.2453 3.8142 0.8125 0.8303 0.8496 1.3468 0.8172 0.8914 2.5618 0.9023 1.2321 0.9024 1.0112 1.5403 1.2940 1.2559 1.2738 1.2417 0.8983 0.9018 1.5820 1.9484 1.5789 2.5213 1.6998 1.8653 1.3255 2.6868 3.6790 3.1574 8.3448 2.5498 6.4050 4.1201 2.9623 4.3335 3.0335 4.3394 3.5251 4.2906 8.2321 8.5797 8.7474 10.9639 6.3662 12.0106 11.7858 11.7534 11.7528 24.8168 6.5038 6.5076 6.5173 6.5706 6.6483 6.6731 6.6730 6.7330 6.6913 6.7834 6.8014 7.0428 7.2439 7.2458 7.3774 0.5167 0.1414 0.7414 1.2829 0.4814 1.5440 0.5215 1.9049 1.0182 0.7837 0.2480 3.3715 2.0636 1.7028 5.4749 13.2805 3.4506 0.2744 6.1584 9.8547 17.2466 4.5770 0.4979 0.9113 3.2425 4.7539 6.8586 0.1983 0.9806 7.1122 0.1741 1.4369 62.0535 0.0287 6.8243 27.1685 28.7665 0.8101 63.7343 13.9371 10.3790 45.7572 25.0364 0.6560 9.6058 0.9106 2.4173 3.5771 4.4345 15.4023 2.3387 2.1859 20.3431 113.2453 1.6144 42.7907 1.0994 0.3796 1.5393 1.8369 32.2750 0.0963 0.2279 1.3314 0.3805 6.3932 5.8027 4.4751 3.1179 0.1220 96.3664 28.9098 47.0762 0.9866 1.1877 46.3458 5.2234 11.1186 3.1549 8.9376 68.8176 1.1520 17.0963 24.0021 121.5864 11.0504 112.7628 0.4971 1.2523 6.7144 23.4302 17.6777 7.4832 2.2239 32.1915 6.2197 14.4812 5.5578 11.7760 131.6994 50.6627 54.2845 51.5376 35.2100 220.7745 24.0184 21.0219 0.9667 6.4236 5.4415 6.6673 1.5094 9.2459 1.2342 11.0249 7.4357 6.8589 2.9450 473.5444 439.3092 0.04 -0.04 0.04 0.05 -0.05 0.07 0.01 -0.01 0.00 0.05 -0.02 0.01 0.01 -0.05 0.03 -0.00 -0.03 0.02 0.04 0.00 -0.00 0.00 -0.07 0.04 -0.02 -0.08 0.03 -0.04 -0.06 0.02 -0.03 -0.04 0.02 0.02 -0.09 0.04 -0.03 -0.10 0.04 -0.06 -0.07 0.02 0.07 0.03 -0.03 0.09 0.02 -0.01 0.08 -0.01 0.01 0.05 0.02 -0.02 0.09 -0.02 0.03 0.08 0.05 -0.04 0.11 0.02 -0.02 -0.01 0.02 -0.01 -0.03 0.05 -0.03 -0.06 0.04 -0.02 -0.04 0.07 -0.04 -0.08 0.04 -0.02 -0.01 0.04 -0.02 0.01 0.04 -0.03 -0.04 0.01 -0.00 -0.05 -0.01 0.00 0.02 -0.02 0.01 -0.18 0.18 -0.12 -0.05 0.24 -0.03 0.06 0.14 0.05 0.04 -0.03 0.04 -0.09 -0.09 -0.05 -0.20 0.01 -0.13 -0.27 0.26 -0.18 -0.03 0.38 -0.02 0.17 0.19 0.11 0.13 -0.11 0.10 -0.30 -0.04 -0.20 0.04 -0.05 -0.00 0.05 -0.07 0.01 -0.00 -0.02 -0.00 0.05 -0.03 -0.02 0.01 -0.06 -0.00 -0.00 -0.05 -0.01 0.03 -0.01 -0.02 0.01 -0.08 0.00 -0.02 -0.09 0.00 -0.03 -0.07 -0.01 -0.02 -0.05 -0.01 0.02 -0.09 0.01 -0.02 -0.10 0.01 -0.05 -0.08 -0.01 0.07 0.02 -0.05 0.09 0.00 -0.06 0.08 -0.02 -0.04 0.04 0.01 -0.03 0.10 -0.04 -0.05 0.08 0.04 -0.06 0.12 0.01 -0.07 -0.02 0.01 0.02 -0.05 0.06 0.04 -0.07 0.05 0.05 -0.05 0.09 0.05 -0.09 0.05 0.06 -0.02 0.04 0.03 0.00 0.04 0.01 -0.05 0.01 0.03 -0.06 -0.01 0.03 -0.04 -0.07 -0.00 0.10 0.11 0.12 -0.00 0.05 0.04 -0.07 0.13 -0.08 -0.03 0.27 -0.11 0.07 0.32 -0.02 0.13 0.24 0.10 0.15 0.04 0.21 -0.03 -0.05 0.06 -0.15 0.09 -0.14 -0.09 0.33 -0.19 0.21 0.29 0.17 -0.00 -0.02 -0.08 0.01 -0.04 -0.13 -0.04 -0.00 -0.03 -0.02 -0.01 -0.02 -0.01 -0.02 -0.07 -0.03 -0.02 -0.05 -0.03 -0.00 0.00 -0.01 -0.03 -0.09 -0.01 -0.03 -0.09 -0.02 -0.03 -0.07 -0.03 -0.02 -0.05 0.00 -0.04 -0.10 -0.01 -0.04 -0.10 -0.02 -0.03 -0.07 -0.04 0.01 0.09 -0.03 0.01 0.08 -0.02 -0.01 0.02 -0.04 0.01 0.06 -0.00 -0.01 -0.00 -0.05 0.02 0.14 -0.03 0.01 0.11 -0.04 0.01 0.00 -0.05 0.05 0.10 -0.05 0.03 0.07 -0.05 0.06 0.15 -0.05 0.04 0.08 -0.05 0.03 0.06 -0.04 0.04 0.07 -0.04 0.01 0.01 -0.04 -0.00 -0.02 -0.05 0.00 -0.03 0.06 0.07 0.12 0.15 0.11 0.15 0.27 0.04 0.11 0.29 -0.07 0.04 0.19 -0.10 0.00 0.08 -0.04 0.04 -0.03 0.13 0.15 0.14 0.20 0.21 0.34 0.07 0.14 0.38 -0.13 0.00 0.01 -0.07 0.01 0.07 -0.04 -0.10 0.10 -0.05 -0.18 0.04 -0.03 -0.02 0.06 -0.03 -0.04 0.05 -0.02 -0.04 0.05 -0.03 -0.02 0.04 -0.03 0.01 0.02 -0.00 0.03 -0.02 0.02 0.12 -0.01 0.01 0.10 0.03 -0.01 0.03 0.01 0.00 0.03 -0.05 0.03 0.19 -0.03 0.02 0.15 0.03 -0.02 0.09 0.04 -0.03 0.03 0.06 -0.03 -0.04 0.03 -0.02 0.08 0.07 -0.03 -0.09 0.02 -0.02 0.15 0.04 -0.03 0.05 0.06 -0.04 -0.00 0.07 -0.05 0.05 0.09 -0.05 0.02 0.07 -0.06 0.07 0.10 -0.05 0.02 0.05 -0.05 0.03 0.03 -0.04 0.06 0.08 -0.04 -0.01 0.09 -0.02 -0.02 -0.04 0.05 -0.05 -0.09 0.01 0.07 -0.18 0.02 0.22 -0.19 0.03 0.22 -0.10 0.03 0.05 -0.01 0.02 -0.09 -0.00 0.01 -0.10 -0.09 0.01 0.08 -0.25 0.02 0.36 -0.26 0.03 0.34 -0.11 0.03 0.05 0.07 0.01 -0.22 -0.02 0.03 0.13 -0.07 0.06 0.29 0.05 0.00 -0.06 0.01 0.01 0.02 0.01 0.01 0.04 0.06 -0.00 -0.07 0.04 -0.00 -0.05 -0.01 0.01 0.07 0.03 -0.01 -0.02 0.08 -0.02 -0.13 0.10 -0.02 -0.14 -0.05 0.03 0.17 0.03 -0.01 -0.01 0.12 -0.04 -0.20 0.04 -0.02 -0.14 0.02 -0.01 -0.09 -0.00 0.01 -0.00 0.05 -0.02 -0.11 -0.03 0.01 0.06 0.05 -0.03 -0.20 0.01 -0.01 -0.12 0.06 0.01 0.01 0.07 0.05 0.21 0.09 0.06 0.18 0.07 0.06 0.30 0.11 0.08 0.24 0.06 0.02 0.10 0.04 -0.00 0.06 0.09 0.03 0.06 0.10 0.03 -0.01 -0.04 0.00 -0.08 -0.13 -0.02 0.16 -0.07 -0.01 0.10 -0.00 -0.03 0.01 0.01 -0.06 -0.03 -0.04 -0.07 0.03 -0.11 -0.04 0.12 -0.18 0.00 0.23 -0.08 0.01 0.13 0.04 -0.03 -0.04 0.07 -0.08 -0.10 -0.15 -0.05 0.16 -0.02 0.02 -0.03 -0.02 0.03 -0.05 -0.00 0.02 -0.05 -0.03 0.02 0.02 -0.01 0.02 -0.04 -0.02 0.03 -0.03 -0.02 0.02 -0.03 -0.00 0.02 -0.06 -0.01 0.02 -0.05 -0.02 0.03 -0.02 -0.03 0.03 -0.01 0.01 0.02 -0.07 0.00 0.02 -0.06 -0.03 0.03 -0.01 -0.06 0.02 0.12 -0.09 0.02 0.22 -0.07 0.02 0.15 -0.02 0.02 0.00 -0.09 0.03 0.21 -0.07 0.01 0.15 -0.12 0.02 0.33 -0.02 0.04 -0.03 -0.03 0.09 0.05 -0.04 0.09 0.08 -0.03 0.12 0.08 -0.05 0.12 0.13 -0.02 0.06 -0.02 0.00 0.06 -0.03 -0.03 0.06 0.02 -0.03 0.05 0.03 0.10 -0.06 -0.01 -0.14 -0.02 0.13 -0.16 -0.03 0.11 -0.09 -0.03 -0.06 -0.01 -0.01 -0.22 0.01 -0.00 -0.19 -0.05 -0.01 -0.03 -0.19 -0.02 0.27 -0.22 -0.04 0.24 -0.11 -0.04 -0.07 0.04 -0.01 -0.35 -0.04 0.00 -0.01 -0.02 -0.07 -0.04 -0.01 -0.08 -0.09 -0.05 -0.05 0.05 -0.02 -0.06 -0.05 -0.03 -0.06 0.00 -0.05 -0.05 0.05 -0.05 -0.06 0.03 -0.01 -0.06 -0.04 -0.01 -0.06 -0.04 -0.03 -0.06 0.01 -0.05 -0.05 0.06 0.01 -0.07 -0.08 0.01 -0.06 -0.08 -0.02 -0.05 0.02 -0.00 -0.05 -0.12 0.03 -0.06 -0.24 0.02 -0.06 -0.19 -0.04 -0.06 0.01 0.04 -0.06 -0.27 0.00 -0.05 -0.14 0.06 -0.06 -0.35 -0.04 -0.06 0.03 -0.04 -0.03 0.13 -0.04 -0.03 0.13 -0.05 -0.02 0.16 -0.04 -0.01 0.17 -0.05 -0.06 0.06 -0.05 -0.06 0.06 -0.04 -0.05 0.07 -0.04 -0.03 0.08 0.07 0.12 0.05 -0.10 0.00 0.11 -0.05 -0.01 0.01 0.03 -0.02 -0.14 0.05 -0.02 -0.19 0.00 -0.01 -0.09 -0.07 -0.00 0.06 -0.16 0.01 0.23 -0.07 -0.01 0.04 0.06 -0.02 -0.22 0.11 -0.03 -0.30 -0.11 0.00 0.15 -0.03 -0.04 -0.00 -0.04 -0.04 0.01 -0.01 -0.04 -0.06 -0.03 -0.04 0.00 -0.03 -0.04 -0.01 -0.03 -0.04 -0.03 -0.02 -0.04 -0.03 -0.05 -0.04 0.03 -0.07 -0.04 0.05 -0.06 -0.04 0.03 -0.04 -0.04 -0.01 -0.06 -0.04 0.04 -0.08 -0.04 0.08 -0.08 -0.04 0.04 -0.04 -0.05 0.02 -0.05 -0.04 0.07 -0.05 -0.04 0.05 -0.02 -0.04 -0.02 -0.06 -0.04 0.09 -0.04 -0.05 0.03 -0.07 -0.04 0.11 -0.02 -0.02 -0.03 -0.04 0.09 0.20 -0.05 0.08 0.21 -0.05 0.13 0.29 -0.06 0.12 0.31 -0.02 0.02 0.04 -0.00 0.02 0.03 -0.03 0.01 0.06 -0.03 0.01 0.05 0.07 0.03 -0.06 0.12 0.00 -0.18 0.07 -0.00 -0.11 -0.04 0.02 0.07 -0.09 0.05 0.17 -0.03 0.05 0.10 0.07 0.03 -0.07 0.21 -0.02 -0.32 0.11 -0.02 -0.19 -0.08 0.02 0.12 -0.17 0.07 0.31 0.12 0.03 -0.13 0.04 -0.01 -0.09 0.08 -0.04 -0.21 0.02 0.00 -0.03 0.03 0.00 -0.04 0.00 0.01 -0.00 0.01 0.01 -0.01 0.02 0.01 -0.01 -0.02 0.02 0.04 -0.02 0.02 0.05 -0.01 0.02 0.02 0.01 0.01 -0.00 -0.02 0.02 0.05 -0.04 0.03 0.08 -0.01 0.02 0.03 0.00 0.02 0.09 0.01 0.01 0.07 0.03 0.00 -0.01 0.01 0.01 0.05 0.04 -0.00 -0.03 -0.01 0.02 0.15 0.01 0.02 0.10 0.02 0.01 -0.02 0.02 0.02 0.02 0.02 0.01 -0.01 0.02 0.02 0.05 0.03 0.01 -0.01 0.02 0.01 0.01 0.01 0.02 0.04 0.02 0.00 -0.03 0.02 -0.00 -0.04 0.01 -0.02 -0.03 -0.09 0.02 0.10 0.03 0.01 -0.12 0.05 -0.00 -0.14 -0.05 -0.00 0.06 -0.17 0.01 0.27 -0.19 0.02 0.29 -0.11 0.02 0.11 0.11 0.01 -0.28 0.15 -0.01 -0.31 -0.03 -0.01 0.05 -0.30 0.02 0.48 0.02 -0.01 0.02 0.01 -0.01 0.02 0.03 -0.02 -0.01 0.01 -0.02 0.04 0.01 -0.00 0.03 0.01 -0.01 0.05 0.03 -0.02 -0.02 -0.01 0.01 0.09 -0.05 0.03 0.18 -0.07 0.04 0.24 -0.04 0.02 0.16 -0.01 0.02 0.07 -0.08 0.05 0.24 -0.13 0.07 0.34 0.02 -0.04 -0.03 -0.01 -0.03 0.08 -0.01 -0.02 0.10 0.04 -0.03 -0.07 -0.03 -0.01 0.15 0.03 -0.04 -0.07 -0.03 -0.03 0.13 0.02 -0.01 -0.01 0.02 -0.03 -0.09 0.01 0.05 0.12 0.03 -0.07 -0.19 -0.00 0.10 0.23 0.03 -0.07 -0.17 0.03 -0.10 -0.26 0.01 0.06 0.16 0.01 0.11 0.26 -0.04 0.02 -0.05 0.02 -0.01 -0.00 0.06 -0.01 -0.07 0.10 -0.02 -0.14 0.10 -0.03 -0.15 0.06 -0.02 -0.08 0.02 -0.01 -0.01 -0.02 0.00 0.05 0.05 -0.00 -0.06 0.13 -0.02 -0.19 0.14 -0.04 -0.21 -0.01 -0.01 0.04 0.01 -0.02 -0.02 0.02 -0.02 -0.06 0.00 -0.01 0.02 -0.00 -0.01 0.04 0.04 -0.02 -0.05 0.01 -0.01 0.00 0.01 -0.01 -0.01 0.09 -0.03 -0.16 0.12 -0.04 -0.20 0.08 -0.03 -0.11 0.02 -0.01 -0.00 0.11 -0.04 -0.21 0.17 -0.05 -0.30 0.09 -0.03 -0.12 0.02 -0.02 -0.06 -0.01 -0.02 0.04 -0.02 -0.01 0.08 0.02 -0.02 -0.08 -0.03 -0.01 0.12 0.03 -0.02 -0.13 -0.02 -0.02 0.07 -0.01 0.00 0.01 -0.01 -0.05 -0.14 -0.03 0.06 0.12 0.00 -0.09 -0.28 -0.04 0.11 0.25 0.00 -0.08 -0.20 0.00 -0.12 -0.31 -0.03 0.08 0.21 -0.03 0.12 0.29 -0.01 0.02 0.02 -0.03 0.01 0.03 -0.03 0.01 0.05 -0.05 0.01 0.09 -0.07 0.02 0.12 -0.06 0.01 0.10 -0.04 0.01 0.05 -0.01 0.01 0.00 -0.03 0.01 0.03 -0.06 0.01 0.11 -0.09 0.02 0.16 -0.03 0.01 0.04 0.01 -0.01 0.00 -0.02 0.02 -0.01 0.08 -0.07 0.03 -0.00 -0.05 0.01 0.05 0.01 0.02 0.09 -0.03 0.02 0.03 -0.08 0.03 0.06 0.06 0.02 0.10 0.08 0.03 0.14 0.04 0.03 0.13 -0.02 0.03 0.03 0.09 0.02 0.11 0.11 0.04 0.19 0.05 0.04 -0.03 -0.14 0.01 -0.06 -0.11 -0.02 -0.05 -0.07 -0.02 0.02 -0.12 0.04 -0.07 -0.04 -0.04 -0.04 -0.19 0.02 -0.09 -0.13 -0.04 0.04 -0.03 0.02 -0.08 0.22 -0.06 -0.22 0.08 -0.08 -0.09 0.37 -0.09 -0.36 0.08 -0.12 0.07 0.14 -0.00 0.24 0.23 0.02 -0.13 -0.07 -0.03 -0.21 -0.25 -0.01 -0.02 0.01 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.01 -0.02 0.00 0.02 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.01 0.01 0.02 0.01 -0.05 0.06 0.23 -0.01 -0.00 0.00 0.04 0.00 -0.12 0.01 0.01 -0.05 -0.00 0.01 -0.01 -0.01 0.00 0.05 0.03 0.00 -0.07 0.02 0.01 -0.04 -0.02 0.02 0.03 -0.03 0.02 0.05 0.04 0.00 -0.10 0.03 0.01 -0.06 -0.04 0.03 0.08 -0.05 0.02 0.27 0.04 0.01 -0.07 0.08 -0.00 -0.26 -0.06 0.01 0.28 0.14 -0.01 -0.45 -0.10 0.03 0.52 0.06 0.01 -0.14 -0.02 -0.01 -0.01 -0.02 -0.02 -0.07 -0.03 0.02 0.06 -0.02 -0.04 -0.13 -0.04 0.05 0.13 -0.01 -0.05 -0.11 -0.01 -0.03 -0.07 -0.03 0.03 0.09 -0.03 0.06 0.15 0.02 -0.02 -0.04 -0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.02 -0.01 -0.00 0.02 -0.01 -0.00 0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.02 0.01 0.00 0.00 -0.03 0.03 0.11 -0.00 -0.01 0.01 0.01 -0.01 0.02 0.06 -0.01 -0.10 -0.02 0.01 0.06 0.01 -0.01 -0.02 0.14 -0.04 -0.26 0.08 -0.01 -0.13 -0.07 0.05 0.20 -0.10 0.05 0.24 0.23 -0.07 -0.46 0.14 -0.02 -0.23 -0.17 0.10 0.39 0.02 -0.01 -0.06 0.00 -0.01 0.02 -0.01 -0.01 0.07 0.02 -0.01 -0.07 -0.02 -0.01 0.13 0.04 -0.01 -0.12 -0.00 -0.00 0.05 -0.01 -0.01 0.00 -0.00 0.00 0.08 0.01 -0.05 -0.07 -0.01 0.02 0.16 0.03 -0.08 -0.14 -0.01 0.03 0.12 -0.02 0.03 0.15 0.01 -0.06 -0.12 0.01 -0.04 -0.08 -0.00 0.00 -0.03 -0.01 0.00 0.03 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.02 0.00 0.03 -0.02 0.00 0.05 -0.02 0.00 0.05 -0.01 0.00 0.03 0.01 0.00 -0.01 0.01 0.00 -0.00 -0.02 0.00 0.04 -0.03 0.00 0.06 0.05 -0.00 -0.11 -0.02 0.04 0.12 0.07 0.01 -0.12 0.06 -0.01 -0.20 0.07 -0.03 -0.18 0.05 -0.01 -0.16 0.07 -0.03 -0.17 0.01 -0.09 -0.08 -0.13 -0.09 0.05 -0.16 -0.05 0.03 -0.06 -0.01 -0.10 0.06 -0.14 -0.06 -0.20 -0.11 0.18 -0.26 -0.04 0.13 -0.07 -0.14 0.06 -0.12 -0.10 0.08 -0.05 -0.03 -0.10 0.04 -0.11 -0.09 -0.11 0.02 -0.10 -0.11 -0.19 0.18 -0.20 -0.11 0.23 0.09 0.06 -0.08 0.10 0.10 -0.01 0.10 0.10 -0.01 0.10 0.11 0.02 0.10 0.11 0.01 0.10 0.07 -0.06 0.14 0.09 -0.07 0.10 0.07 -0.06 0.12 0.11 -0.07 -0.03 0.03 0.11 -0.01 0.00 0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.02 -0.01 0.00 0.03 -0.01 0.00 0.01 0.01 -0.00 -0.03 0.01 -0.00 -0.03 -0.00 -0.00 0.01 -0.02 0.00 0.04 0.02 -0.03 -0.10 -0.04 0.01 0.11 -0.05 -0.08 -0.04 0.06 -0.05 -0.16 0.01 -0.01 -0.14 0.02 -0.04 -0.10 0.02 -0.03 -0.14 -0.04 0.12 -0.03 0.00 0.17 0.08 0.10 0.10 0.01 0.11 -0.01 -0.07 -0.13 0.19 -0.03 -0.05 0.26 0.21 0.16 0.12 0.04 0.10 0.09 0.02 0.11 0.06 0.16 0.12 -0.03 0.02 0.04 0.06 -0.14 0.17 -0.10 0.10 0.10 0.16 0.05 0.12 0.08 0.36 -0.09 -0.09 0.00 -0.11 -0.10 0.04 -0.12 -0.10 0.04 -0.12 -0.09 0.06 -0.11 -0.10 0.05 -0.10 -0.11 0.02 -0.14 -0.14 -0.01 -0.11 -0.10 0.01 -0.13 -0.16 -0.01 0.00 0.02 0.03 -0.01 -0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.02 -0.00 -0.00 0.00 -0.01 -0.00 0.02 0.05 0.03 -0.04 0.03 0.04 0.02 -0.02 0.02 0.08 0.04 0.02 -0.07 0.05 0.01 -0.05 0.03 0.02 -0.05 0.05 0.01 -0.05 0.01 -0.04 0.01 -0.06 -0.05 0.04 -0.06 -0.04 -0.03 -0.02 0.01 -0.07 0.03 -0.07 0.06 -0.11 -0.07 0.11 -0.10 -0.05 -0.03 -0.03 -0.07 -0.01 -0.07 -0.04 0.04 -0.04 0.01 -0.02 0.04 -0.05 -0.05 -0.09 0.05 0.00 -0.04 -0.11 -0.00 -0.12 -0.06 0.11 -0.05 0.12 0.37 -0.03 -0.10 -0.15 -0.03 -0.10 -0.15 -0.02 -0.19 -0.38 -0.01 -0.19 -0.38 -0.05 0.07 0.27 -0.04 0.03 0.17 -0.05 0.08 0.27 -0.04 0.04 0.16 0.03 0.01 -0.04 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 0.02 0.06 -0.06 0.01 0.01 0.00 0.01 0.07 0.00 -0.20 -0.11 0.02 0.22 -0.08 0.01 0.20 0.07 -0.01 -0.18 -0.05 0.02 0.13 0.11 -0.02 -0.12 0.10 -0.02 -0.06 -0.03 0.01 0.17 -0.07 0.04 0.13 0.23 -0.04 -0.35 0.20 -0.06 -0.22 -0.03 -0.06 0.09 -0.06 -0.04 0.13 0.02 -0.01 -0.13 0.06 -0.05 -0.14 -0.00 0.02 -0.15 -0.07 -0.09 0.25 -0.14 -0.05 0.34 -0.06 0.07 -0.03 -0.01 -0.02 0.03 0.05 0.02 -0.02 -0.01 -0.08 0.07 0.11 0.00 -0.03 -0.08 0.02 0.02 -0.12 -0.01 -0.01 0.01 0.07 -0.06 0.03 0.13 -0.04 -0.01 0.01 -0.01 0.01 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 0.01 0.00 -0.01 0.01 -0.00 -0.02 0.01 -0.00 -0.01 -0.01 0.00 0.02 -0.01 0.00 0.02 0.00 0.00 -0.01 0.02 -0.00 -0.04 -0.04 0.02 -0.01 -0.10 0.08 -0.04 0.02 -0.02 0.01 -0.03 -0.04 -0.09 -0.01 0.06 0.09 -0.02 0.09 0.05 -0.07 -0.01 -0.09 -0.01 -0.03 0.06 -0.03 -0.08 -0.08 -0.09 -0.03 -0.06 -0.11 0.06 0.03 0.05 -0.08 0.10 0.00 -0.16 -0.17 -0.11 -0.06 -0.13 0.00 0.13 0.02 0.04 0.08 0.08 0.05 -0.02 -0.04 -0.05 0.09 -0.10 0.11 -0.08 -0.03 -0.00 0.19 0.08 0.08 0.10 0.20 0.19 -0.18 0.09 0.07 0.08 -0.04 -0.08 -0.05 0.02 0.07 0.23 -0.11 -0.25 -0.04 0.01 0.24 -0.02 0.02 0.36 0.03 -0.00 0.02 -0.21 0.10 -0.04 -0.31 0.15 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.17 0.19 0.04 0.18 0.19 -0.01 0.00 0.00 0.01 0.12 0.09 0.04 0.08 0.15 0.04 0.00 0.18 -0.00 0.15 0.02 0.05 0.04 -0.01 0.06 -0.06 -0.07 -0.03 -0.13 0.01 -0.10 -0.10 0.15 -0.07 0.13 -0.09 0.14 -0.08 -0.18 -0.06 -0.20 -0.03 -0.18 0.04 -0.14 -0.01 -0.05 -0.07 -0.01 -0.02 0.05 0.01 0.15 -0.10 0.03 -0.11 0.14 0.00 0.03 -0.24 -0.04 -0.14 -0.11 -0.04 -0.06 -0.13 -0.08 -0.12 -0.08 0.09 -0.13 -0.08 0.09 -0.12 -0.03 0.17 -0.13 -0.05 0.18 -0.08 -0.14 -0.06 -0.09 -0.15 -0.03 -0.11 -0.14 -0.06 -0.13 -0.14 -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 -0.01 0.01 -0.00 0.26 -0.25 0.12 0.01 -0.01 0.00 0.03 0.20 -0.01 -0.19 -0.05 -0.06 -0.08 -0.11 -0.03 0.09 0.09 0.03 -0.17 0.07 -0.10 -0.07 0.12 -0.08 -0.00 0.04 0.01 -0.03 -0.09 0.01 -0.24 0.14 -0.17 -0.03 0.22 -0.11 0.09 0.08 0.07 -0.03 -0.01 -0.02 -0.14 0.08 -0.03 -0.10 0.19 -0.01 0.09 0.02 0.03 -0.18 0.27 -0.02 -0.05 -0.13 -0.05 -0.24 0.04 -0.05 0.10 -0.10 0.05 0.04 0.04 -0.02 -0.05 -0.03 0.01 0.03 0.13 -0.06 -0.14 -0.02 0.01 0.13 -0.02 0.01 0.21 0.01 0.01 0.01 -0.12 0.06 -0.02 -0.19 0.08 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -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 -0.03 0.00 -0.03 -0.03 0.00 -0.01 -0.05 -0.08 0.04 -0.13 0.06 -0.14 0.05 -0.02 -0.12 0.06 -0.05 0.05 -0.12 0.04 -0.17 0.16 -0.02 -0.10 0.15 -0.16 -0.11 0.14 -0.11 -0.16 0.09 -0.00 -0.25 0.21 0.01 -0.06 0.13 -0.25 -0.04 0.15 -0.12 0.16 -0.12 0.02 0.20 -0.15 -0.02 0.14 -0.14 0.13 0.06 -0.13 0.10 0.17 -0.20 0.21 0.19 -0.06 -0.02 0.22 -0.15 -0.10 0.02 0.04 0.03 0.05 0.03 -0.04 0.05 0.03 -0.04 0.05 0.01 -0.07 0.05 0.02 -0.08 0.04 0.06 0.03 0.07 0.08 0.04 0.04 0.05 0.03 0.06 0.09 0.03 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 -0.01 -0.01 0.00 0.02 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.02 -0.00 0.00 0.00 -0.01 0.01 0.01 0.01 -0.00 -0.02 0.02 -0.01 -0.05 -0.00 0.00 0.00 -0.02 0.01 0.02 0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.03 -0.00 -0.00 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -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 0.09 -0.01 -0.17 0.00 0.00 -0.01 -0.09 0.01 0.18 0.09 -0.01 -0.17 0.01 -0.00 -0.01 -0.09 0.01 0.18 0.19 -0.03 -0.38 0.01 -0.00 -0.01 -0.21 0.03 0.42 0.19 -0.03 -0.38 -0.22 0.03 0.44 -0.05 0.09 -0.18 -0.24 0.26 -0.07 0.05 -0.06 0.06 0.03 0.12 -0.11 -0.05 -0.04 -0.16 0.00 -0.19 0.04 0.15 0.02 0.05 -0.19 -0.04 0.06 -0.04 -0.06 -0.04 0.10 -0.19 -0.02 -0.03 -0.17 0.19 -0.27 -0.02 0.26 0.00 0.07 -0.07 0.24 -0.19 -0.12 0.14 -0.03 -0.05 0.02 0.08 -0.00 -0.01 0.15 0.09 0.15 -0.01 0.15 -0.05 0.15 0.24 0.15 -0.11 -0.17 -0.10 0.04 -0.02 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.01 0.00 -0.00 -0.01 0.01 0.02 0.03 0.01 -0.00 -0.01 0.01 0.03 0.05 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.01 0.00 0.02 0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.01 0.00 0.02 0.02 -0.00 -0.03 0.01 -0.00 -0.02 -0.02 0.00 0.05 0.02 -0.00 -0.03 -0.02 0.00 0.05 -0.13 0.06 0.17 -0.11 0.07 -0.12 0.05 -0.04 -0.05 -0.04 0.06 0.18 -0.14 0.02 0.14 -0.01 -0.06 -0.02 0.11 -0.01 0.01 -0.00 -0.02 -0.15 -0.04 0.01 -0.01 -0.06 -0.01 0.12 0.07 -0.10 -0.14 0.10 -0.06 -0.38 -0.02 0.05 -0.04 -0.11 0.04 0.31 0.08 -0.04 0.16 0.04 0.02 0.03 0.07 0.07 -0.14 0.16 -0.03 -0.16 0.16 0.05 -0.40 0.03 -0.08 0.35 -0.03 -0.00 0.01 -0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.02 -0.01 -0.00 -0.02 -0.01 -0.01 -0.00 0.02 -0.01 -0.04 -0.06 -0.01 0.00 0.02 -0.01 -0.04 -0.05 -0.00 0.00 0.00 -0.01 0.00 0.03 0.01 -0.00 -0.01 0.01 -0.00 -0.02 -0.02 0.00 0.03 0.01 -0.00 -0.02 0.01 -0.00 -0.02 -0.04 0.00 0.07 0.01 -0.00 -0.02 0.02 -0.00 -0.04 -0.04 0.01 0.08 0.02 -0.00 -0.04 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.01 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 -0.01 -0.01 0.01 -0.01 -0.04 -0.01 0.01 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 -0.01 0.01 -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 0.06 -0.01 -0.12 -0.11 0.02 0.22 0.05 -0.01 -0.10 0.06 -0.01 -0.12 -0.15 0.02 0.29 0.05 -0.01 -0.09 0.17 -0.02 -0.33 -0.22 0.03 0.42 0.15 -0.02 -0.29 0.18 -0.03 -0.36 0.16 -0.02 -0.31 0.02 -0.01 -0.05 -0.01 0.01 0.04 -0.07 0.06 0.28 0.02 -0.01 -0.00 0.00 0.00 -0.05 -0.09 0.03 0.18 -0.05 0.00 0.21 0.02 0.01 -0.12 -0.12 0.06 0.12 0.01 -0.01 -0.10 -0.02 -0.03 -0.04 0.10 -0.02 -0.27 -0.19 0.08 0.25 0.16 -0.05 -0.31 0.03 -0.04 -0.08 -0.01 -0.05 0.18 0.07 -0.02 -0.12 0.01 -0.04 -0.07 0.12 -0.02 -0.34 0.09 -0.01 -0.32 -0.05 -0.05 0.31 0.01 0.00 -0.00 0.03 0.04 0.01 0.03 0.04 0.01 0.03 0.04 0.04 0.02 0.05 0.04 0.02 0.01 -0.05 0.04 0.02 -0.06 0.03 -0.00 -0.04 0.04 0.02 -0.05 0.00 -0.01 -0.02 -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 -0.01 -0.00 -0.00 0.01 -0.01 0.00 0.02 0.01 -0.00 -0.02 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 0.01 0.02 -0.01 0.01 0.02 -0.01 0.00 -0.00 0.00 -0.03 -0.06 -0.00 0.24 0.11 -0.05 -0.21 0.06 -0.03 -0.14 -0.03 0.01 0.12 -0.07 0.03 0.14 0.04 -0.01 -0.08 0.03 0.00 -0.05 -0.09 0.04 0.16 -0.27 0.11 0.52 0.03 -0.00 -0.04 0.02 0.01 -0.04 -0.04 0.00 0.07 -0.02 0.00 0.06 0.03 -0.00 -0.15 0.03 0.01 -0.18 0.13 -0.00 -0.54 -0.04 0.00 0.10 -0.00 0.00 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 0.00 -0.00 -0.01 -0.01 0.01 0.02 -0.02 -0.04 -0.07 -0.00 -0.00 -0.01 0.00 0.05 0.06 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.02 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.02 -0.00 0.00 0.01 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 0.03 -0.00 -0.12 -0.05 0.02 0.10 0.08 -0.02 -0.15 -0.05 -0.00 0.17 -0.04 0.01 0.08 0.08 -0.04 -0.14 -0.07 0.03 0.13 0.04 -0.01 -0.07 -0.07 0.02 0.16 0.14 -0.06 -0.27 -0.24 0.09 0.44 0.03 -0.00 -0.15 -0.03 -0.00 0.16 0.03 0.00 -0.08 -0.03 -0.01 0.07 0.05 -0.00 -0.16 0.11 0.00 -0.51 -0.07 -0.00 0.30 -0.01 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.01 0.00 0.00 -0.01 0.00 -0.00 -0.02 0.00 0.01 -0.00 0.01 -0.01 0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.22 0.25 0.05 0.26 0.28 0.02 -0.08 -0.15 -0.15 0.04 -0.14 0.07 -0.16 0.06 -0.01 -0.11 -0.09 0.02 -0.10 -0.09 0.02 -0.20 -0.08 -0.10 -0.03 -0.01 0.01 0.10 -0.11 0.08 0.09 -0.09 0.04 -0.16 -0.08 -0.24 0.07 0.22 -0.07 0.16 -0.11 0.04 -0.12 0.11 -0.03 -0.01 -0.03 0.02 -0.04 -0.23 -0.02 -0.09 0.09 -0.04 0.01 -0.25 -0.12 -0.10 0.15 -0.09 0.22 0.05 0.02 -0.01 -0.03 -0.03 0.03 0.02 -0.03 0.04 0.02 -0.03 0.04 -0.01 -0.06 0.02 0.01 -0.07 0.01 0.05 0.04 0.04 0.07 0.02 0.03 0.03 0.05 0.06 0.05 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 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 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.24 0.21 0.11 0.02 0.15 -0.00 -0.17 0.27 -0.10 -0.24 -0.20 -0.11 -0.01 -0.15 0.00 0.17 -0.26 0.10 0.12 0.31 0.04 -0.04 -0.23 -0.01 -0.01 0.33 -0.04 -0.11 -0.32 -0.04 -0.01 -0.34 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.03 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.00 0.01 0.00 0.01 -0.01 -0.02 0.01 -0.00 0.01 0.01 -0.01 -0.03 0.01 -0.00 -0.01 -0.00 0.01 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.02 0.01 -0.01 -0.03 -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 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.22 -0.02 -0.31 0.05 -0.17 -0.06 -0.22 -0.01 -0.02 -0.23 0.00 0.39 -0.06 0.20 0.04 0.23 0.00 0.22 0.02 0.11 -0.31 0.06 -0.18 0.22 -0.10 0.12 -0.28 0.01 -0.14 -0.26 0.10 -0.14 0.04 0.04 0.01 0.05 0.05 -0.00 -0.06 0.10 0.37 0.03 -0.01 -0.02 0.02 0.02 -0.02 0.09 -0.07 -0.02 -0.04 0.05 -0.09 -0.05 0.08 0.05 -0.04 0.03 -0.16 -0.06 -0.02 0.09 0.01 -0.13 -0.07 -0.12 0.10 0.26 -0.05 0.04 -0.12 -0.10 0.08 0.42 -0.06 -0.01 0.09 0.07 -0.08 -0.11 0.03 -0.03 0.09 -0.08 -0.02 -0.11 -0.05 -0.00 0.29 -0.12 0.09 0.42 0.09 -0.07 -0.06 -0.01 0.03 0.08 0.01 0.02 0.02 0.01 0.02 0.03 0.01 0.04 0.09 0.00 0.05 0.09 0.00 -0.02 -0.08 0.01 -0.01 -0.07 0.02 -0.03 -0.08 0.02 -0.02 -0.07 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.02 0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.02 -0.00 0.01 0.00 0.01 0.00 0.02 -0.00 -0.00 -0.01 0.00 -0.02 0.01 -0.01 0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.01 -0.00 0.01 -0.00 0.01 0.01 -0.01 0.01 0.01 -0.01 0.00 0.02 0.02 0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.02 -0.00 0.02 0.02 0.00 -0.02 -0.01 -0.01 0.01 0.01 0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.02 -0.02 -0.01 0.02 0.02 0.01 -0.02 -0.02 -0.00 -0.01 -0.01 -0.01 0.01 0.02 0.00 -0.00 0.00 -0.00 0.01 -0.10 -0.24 -0.01 0.10 0.24 0.03 -0.24 -0.58 -0.03 0.24 0.58 -0.01 0.07 0.18 -0.01 0.03 0.06 0.01 -0.07 -0.18 0.00 -0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.04 -0.05 0.02 -0.02 0.01 -0.01 0.12 -0.12 0.03 0.04 -0.14 0.01 0.12 -0.02 0.08 0.09 -0.10 0.07 0.12 -0.11 0.04 0.17 0.22 0.05 -0.14 0.12 -0.10 -0.12 0.05 -0.07 -0.16 -0.20 -0.04 0.22 0.18 0.06 -0.20 -0.12 -0.09 0.11 0.12 0.02 -0.05 0.13 -0.03 -0.15 0.16 -0.02 -0.20 -0.20 -0.06 0.19 0.19 0.06 -0.15 -0.24 -0.07 -0.10 -0.13 -0.07 0.08 0.25 0.04 -0.01 0.01 -0.01 -0.00 -0.01 0.05 0.03 -0.02 -0.05 -0.01 -0.02 0.14 0.08 -0.06 -0.12 -0.03 -0.00 -0.04 -0.05 0.00 0.01 -0.01 0.05 0.03 0.00 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.05 -0.05 0.00 -0.06 -0.06 -0.01 -0.17 -0.05 0.24 0.03 -0.11 -0.02 -0.08 0.00 -0.08 -0.08 0.12 -0.08 0.14 -0.09 0.03 -0.15 -0.18 -0.02 0.13 -0.10 0.03 0.03 0.05 0.04 0.13 0.25 -0.04 -0.27 -0.10 0.07 0.14 0.07 0.10 -0.28 0.00 0.09 0.02 0.05 0.04 -0.09 0.12 -0.07 -0.17 -0.16 -0.02 0.26 0.13 0.01 -0.14 -0.22 0.12 -0.06 -0.21 0.19 0.03 0.17 0.04 -0.05 -0.01 0.09 0.03 0.04 0.00 0.03 0.03 0.01 0.02 0.02 0.08 -0.01 0.06 0.06 -0.00 0.02 -0.08 0.08 0.07 -0.03 0.05 -0.03 -0.05 0.08 0.07 -0.02 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 -0.01 0.00 0.01 -0.00 -0.00 0.01 -0.01 0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -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 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.08 -0.01 -0.15 -0.06 0.01 0.12 0.07 -0.01 -0.15 -0.04 0.01 0.09 0.06 -0.01 -0.11 -0.04 0.00 0.08 0.00 0.00 0.00 -0.26 0.04 0.52 0.01 -0.00 -0.01 -0.23 0.04 0.46 -0.24 0.03 0.48 0.16 -0.16 0.07 -0.14 0.14 -0.07 -0.21 0.21 -0.10 0.25 0.02 0.05 -0.02 -0.25 0.06 -0.22 -0.11 -0.07 0.09 0.25 0.01 0.05 -0.03 0.05 0.18 0.04 0.07 0.00 0.19 -0.02 -0.09 -0.09 -0.04 -0.14 0.16 -0.14 0.16 -0.10 0.04 0.05 0.21 0.00 -0.19 -0.02 -0.05 -0.02 -0.20 -0.00 0.05 -0.06 0.00 0.07 0.11 0.02 -0.19 0.17 -0.03 -0.20 -0.07 -0.05 0.10 -0.15 0.05 0.02 -0.02 0.01 0.01 0.01 -0.01 -0.02 -0.01 0.01 0.01 0.06 -0.02 -0.07 -0.01 0.00 0.05 -0.02 0.00 0.11 0.01 0.02 0.02 -0.05 0.02 -0.00 -0.11 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 0.01 -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 0.01 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 -0.01 0.00 0.02 -0.01 0.00 0.02 -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 0.01 -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 0.05 -0.01 -0.09 -0.00 0.00 0.00 0.04 -0.01 -0.08 -0.05 0.01 0.10 0.04 -0.01 -0.09 -0.26 0.04 0.50 -0.19 0.03 0.38 -0.25 0.04 0.49 -0.12 0.02 0.23 -0.13 0.01 0.26 -0.01 0.01 0.04 0.00 0.00 -0.01 0.02 0.00 -0.04 -0.00 -0.00 0.01 -0.01 0.00 0.01 0.02 -0.01 -0.03 0.01 0.00 -0.03 -0.00 -0.00 -0.02 -0.02 0.01 0.02 0.01 -0.01 -0.02 -0.01 0.00 0.03 0.01 -0.01 -0.05 -0.00 0.02 0.00 0.05 -0.02 -0.07 -0.00 0.00 -0.02 -0.00 -0.01 0.02 0.01 -0.01 -0.02 -0.01 0.00 0.03 0.01 -0.01 -0.04 0.01 0.01 -0.08 0.01 -0.00 0.01 -0.00 0.07 0.16 0.00 -0.02 -0.06 0.00 -0.02 -0.06 -0.04 0.26 0.62 -0.03 0.25 0.62 0.00 -0.03 -0.04 -0.02 -0.05 -0.09 -0.00 -0.02 -0.05 -0.01 -0.06 -0.08 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.08 0.07 0.32 0.04 0.00 -0.08 -0.06 -0.03 0.05 0.00 0.00 -0.05 0.03 -0.02 -0.04 0.03 -0.04 -0.10 0.01 -0.02 -0.12 0.05 -0.01 -0.08 -0.00 0.01 0.02 0.04 -0.00 -0.09 -0.06 -0.00 0.09 -0.13 0.07 0.24 -0.22 0.08 0.45 -0.00 0.03 0.05 0.03 -0.00 -0.09 -0.00 0.01 0.03 0.03 0.00 -0.08 -0.04 -0.01 0.10 -0.04 -0.00 0.22 0.02 0.02 0.01 -0.11 0.01 0.44 -0.02 -0.02 0.01 0.01 0.03 0.03 0.01 0.02 0.03 0.02 -0.11 -0.24 0.00 -0.09 -0.25 -0.01 0.01 -0.03 0.04 0.08 0.10 0.02 -0.02 -0.02 0.04 0.08 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.02 0.01 -0.00 -0.03 0.02 -0.00 -0.03 0.01 -0.00 -0.03 0.00 -0.00 -0.01 -0.02 -0.03 -0.01 -0.03 -0.03 0.00 0.13 0.11 -0.05 0.04 -0.02 0.04 -0.04 0.05 0.01 0.09 0.03 -0.03 0.04 0.07 -0.03 -0.07 -0.00 -0.04 -0.09 0.01 0.01 0.02 -0.08 0.01 0.03 0.04 0.06 0.04 -0.07 -0.18 0.04 0.11 -0.19 0.09 -0.12 -0.15 -0.08 0.02 -0.03 0.00 -0.08 0.04 0.01 -0.08 -0.00 0.02 0.06 0.04 -0.00 -0.05 -0.14 -0.05 0.01 -0.16 0.17 -0.04 -0.08 0.04 0.11 0.15 -0.03 0.01 0.10 -0.04 0.01 0.10 -0.00 -0.17 -0.48 0.04 -0.22 -0.46 0.02 -0.08 -0.08 -0.07 -0.13 -0.11 -0.04 -0.02 -0.10 -0.08 -0.12 -0.10 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.06 0.03 -0.07 0.05 0.06 0.02 -0.12 -0.15 -0.06 -0.08 0.02 -0.00 0.01 -0.07 0.05 -0.09 -0.06 -0.04 -0.05 -0.10 -0.00 0.08 0.00 0.07 0.10 0.00 0.07 -0.03 0.11 -0.01 -0.07 -0.06 -0.03 0.11 0.03 -0.16 0.17 -0.21 -0.15 0.06 0.09 -0.13 0.10 -0.02 0.05 -0.02 0.12 0.01 -0.02 0.10 0.02 -0.04 -0.09 -0.02 0.10 0.02 -0.11 0.13 0.00 -0.06 -0.14 0.06 -0.23 -0.06 0.06 0.27 0.03 0.07 0.07 0.03 0.06 0.08 0.05 -0.16 -0.35 0.01 -0.11 -0.37 -0.01 -0.01 -0.14 0.07 0.01 -0.18 0.05 -0.06 -0.12 0.09 -0.01 -0.17 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.02 -0.02 -0.00 0.07 0.03 -0.01 -0.06 -0.08 0.04 0.16 0.04 0.00 -0.15 -0.01 -0.00 0.00 0.04 -0.02 -0.09 -0.01 -0.00 0.02 0.04 -0.02 -0.07 -0.18 0.06 0.36 -0.17 0.07 0.35 -0.16 0.07 0.34 0.01 -0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 -0.01 -0.01 -0.00 0.07 0.11 -0.01 -0.36 0.08 -0.01 -0.35 0.09 -0.01 -0.36 0.00 0.01 0.02 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.01 -0.02 0.01 -0.01 -0.01 0.01 0.01 0.04 -0.00 -0.00 -0.00 -0.01 -0.06 -0.07 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.02 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.02 0.00 -0.00 -0.02 -0.00 0.00 0.00 0.06 0.00 -0.12 0.01 -0.00 -0.04 -0.00 0.00 -0.00 -0.05 0.02 0.10 -0.04 -0.00 0.15 0.01 -0.01 -0.03 0.03 -0.01 -0.06 0.01 -0.01 -0.02 0.01 -0.01 -0.02 -0.14 0.05 0.28 -0.22 0.09 0.45 -0.12 0.06 0.26 -0.00 0.00 -0.00 0.02 -0.00 -0.08 -0.00 -0.00 -0.01 0.01 0.00 -0.04 -0.09 0.01 0.32 -0.07 0.01 0.30 -0.10 0.01 0.44 0.02 0.05 0.07 -0.01 -0.00 0.02 -0.01 -0.00 0.01 -0.01 0.00 -0.05 0.02 -0.02 -0.03 0.01 -0.03 -0.01 -0.04 -0.11 -0.15 -0.02 0.00 -0.03 -0.04 -0.08 -0.10 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.02 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 0.01 0.01 -0.00 -0.03 0.01 -0.01 0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.03 0.00 0.10 0.05 -0.02 -0.10 -0.04 0.02 0.09 0.01 -0.00 -0.07 -0.04 0.01 0.07 -0.01 0.00 0.01 -0.04 0.01 0.08 0.04 -0.01 -0.06 0.05 -0.02 -0.11 0.23 -0.08 -0.48 0.07 -0.04 -0.15 0.02 -0.00 -0.09 0.01 0.01 -0.03 0.02 0.00 -0.08 -0.02 -0.00 0.06 -0.05 0.01 0.19 -0.05 0.01 0.24 -0.16 0.01 0.62 0.00 0.01 0.01 0.00 -0.01 -0.01 -0.00 0.00 0.02 0.00 0.02 0.05 0.01 -0.03 -0.05 0.00 -0.01 -0.01 0.01 0.06 0.14 -0.01 0.01 0.01 -0.01 -0.10 -0.16 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.03 0.00 0.05 0.01 -0.00 -0.01 0.03 -0.00 -0.05 0.03 -0.01 -0.05 -0.04 0.00 0.07 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.02 -0.02 0.01 0.04 -0.01 0.01 0.02 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.02 0.02 -0.00 -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.03 -0.00 -0.05 -0.00 0.00 0.00 -0.03 0.00 0.06 -0.04 0.00 0.07 0.00 0.00 0.00 0.04 -0.00 -0.08 -0.19 0.02 0.37 0.02 -0.00 -0.04 0.21 -0.03 -0.41 0.24 -0.05 -0.46 -0.24 0.03 0.50 -0.00 -0.02 -0.02 -0.02 -0.01 0.00 -0.04 -0.07 -0.03 0.02 0.02 0.01 0.00 0.03 0.03 0.02 0.01 -0.01 0.01 0.01 0.03 0.02 0.02 -0.01 -0.03 -0.00 -0.02 0.01 -0.04 -0.00 0.01 0.02 0.02 0.05 -0.01 0.05 -0.08 0.03 0.07 -0.01 -0.03 0.03 -0.05 0.01 -0.01 0.01 -0.04 -0.00 0.03 0.03 0.02 0.01 0.03 -0.02 -0.02 0.08 -0.02 -0.05 0.01 0.01 0.02 -0.04 -0.02 -0.04 -0.03 0.03 0.02 -0.04 -0.11 0.01 0.04 0.11 -0.00 0.12 0.52 -0.01 -0.19 -0.48 -0.03 0.03 -0.05 0.09 0.28 0.45 0.02 -0.02 0.02 0.08 -0.06 -0.23 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -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 0.03 0.04 0.03 0.03 -0.01 0.12 0.13 0.07 -0.04 -0.04 -0.04 -0.03 -0.06 -0.01 -0.01 -0.03 -0.02 -0.02 -0.02 -0.00 -0.04 -0.07 -0.02 0.08 -0.00 0.05 -0.01 0.09 -0.03 -0.06 -0.02 0.00 -0.15 0.03 -0.07 0.08 -0.02 0.05 -0.00 0.08 -0.06 0.08 -0.01 0.03 -0.01 0.09 0.01 -0.06 -0.05 -0.00 -0.02 -0.05 -0.01 0.05 -0.15 -0.02 0.09 -0.01 -0.03 -0.00 0.08 -0.13 0.08 0.06 -0.06 -0.01 -0.07 -0.08 -0.03 0.01 0.09 -0.04 0.25 0.35 0.17 -0.20 -0.37 0.05 -0.05 0.03 -0.12 -0.10 0.12 -0.08 0.07 0.01 -0.16 -0.34 -0.40 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.08 0.03 0.23 0.00 -0.03 -0.05 -0.02 -0.04 -0.07 0.06 0.01 -0.19 0.10 -0.02 -0.17 -0.06 0.02 0.10 -0.03 -0.00 0.12 -0.01 0.03 0.04 -0.03 0.00 0.00 -0.03 -0.01 0.08 0.04 -0.00 -0.04 -0.00 0.00 0.11 0.18 -0.06 -0.42 0.12 -0.07 -0.20 -0.04 0.01 0.08 -0.00 -0.03 0.02 0.01 0.01 0.05 0.02 0.02 -0.06 -0.04 0.04 0.09 0.03 0.00 -0.25 0.13 -0.03 -0.47 -0.01 0.00 0.02 0.01 0.00 -0.01 0.01 0.01 0.01 0.00 0.02 0.04 0.00 -0.02 -0.07 0.00 0.01 0.01 -0.01 -0.12 -0.29 0.00 0.00 0.01 0.02 -0.12 -0.24 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.02 -0.00 -0.04 0.03 -0.00 -0.05 -0.01 0.00 0.01 -0.03 0.01 0.06 -0.02 -0.00 0.02 0.01 -0.01 0.02 -0.00 0.00 -0.01 0.07 -0.06 0.02 0.02 0.01 -0.02 -0.01 -0.01 -0.01 0.01 -0.01 0.01 0.00 -0.01 0.02 -0.02 -0.03 -0.01 0.02 -0.00 0.01 -0.01 0.04 -0.01 -0.01 0.02 0.00 -0.07 0.01 -0.01 0.00 -0.01 0.02 -0.02 0.03 -0.05 -0.04 0.01 -0.00 0.00 -0.01 0.01 0.02 0.03 0.01 -0.01 0.01 -0.03 -0.00 0.05 -0.01 -0.04 0.03 -0.00 0.03 -0.01 -0.07 -0.01 0.01 -0.00 0.04 0.00 0.05 0.01 -0.06 -0.02 0.07 -0.20 -0.29 0.05 0.08 0.35 -0.01 0.03 -0.06 0.04 0.27 0.48 -0.05 0.02 0.03 -0.05 -0.21 -0.37 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.02 -0.00 -0.04 0.00 -0.00 -0.01 -0.02 0.00 0.04 0.00 -0.00 -0.01 -0.02 0.00 0.04 -0.04 0.00 0.08 -0.12 0.02 0.23 -0.02 0.00 0.04 0.11 -0.02 -0.21 0.10 -0.01 -0.20 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 0.02 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.01 -0.01 0.01 0.01 0.01 -0.01 0.00 -0.00 0.00 -0.02 0.01 0.01 -0.01 -0.00 0.03 0.00 -0.00 0.01 -0.00 -0.03 0.01 -0.02 0.01 0.02 -0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 0.01 -0.00 -0.02 0.01 0.02 -0.01 -0.01 -0.01 0.00 0.02 0.00 -0.01 0.00 -0.02 0.00 -0.02 -0.01 0.03 0.01 -0.03 0.08 0.13 -0.02 -0.04 -0.16 0.00 -0.01 0.03 -0.02 -0.13 -0.24 0.02 -0.01 -0.01 0.03 0.09 0.15 0.00 -0.00 0.00 0.02 -0.00 -0.03 0.04 -0.01 -0.08 0.01 -0.00 -0.02 -0.04 0.01 0.08 0.01 -0.00 -0.02 -0.04 0.00 0.08 -0.08 0.01 0.16 -0.25 0.03 0.49 -0.04 0.00 0.08 0.23 -0.04 -0.44 0.20 -0.02 -0.42 -0.02 0.02 0.01 0.02 -0.01 0.00 -0.16 0.21 -0.10 -0.03 -0.03 -0.03 0.02 0.03 -0.00 -0.03 0.02 -0.02 -0.03 0.04 0.02 0.05 0.06 0.01 -0.03 0.01 -0.02 0.03 -0.10 0.04 0.02 -0.04 0.03 0.12 -0.01 0.09 -0.01 0.07 -0.04 0.09 -0.10 0.05 0.12 -0.04 0.03 -0.02 0.05 -0.00 -0.07 -0.07 -0.00 0.04 -0.04 -0.02 0.05 -0.18 -0.01 0.12 -0.09 0.04 -0.06 0.03 -0.07 0.02 0.00 0.01 -0.06 0.01 0.02 -0.02 0.03 -0.04 -0.05 -0.03 -0.22 -0.06 0.13 0.19 0.02 -0.07 -0.03 0.05 0.23 0.72 0.04 -0.01 0.03 0.05 -0.11 -0.13 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.01 0.03 0.00 0.01 -0.01 0.09 0.01 -0.01 0.00 -0.00 -0.03 0.01 -0.02 -0.03 -0.01 0.00 0.04 -0.00 -0.01 0.03 -0.03 -0.02 0.00 0.02 0.00 0.02 -0.01 0.04 -0.00 -0.00 -0.01 -0.04 -0.06 0.01 -0.04 0.05 -0.02 -0.06 -0.02 0.04 0.00 -0.01 0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.02 0.00 -0.01 0.01 -0.00 0.02 -0.00 0.03 0.01 -0.06 0.01 0.02 0.02 -0.02 -0.02 -0.00 -0.02 -0.01 0.01 -0.03 0.03 0.08 -0.00 -0.03 -0.04 -0.00 -0.02 -0.03 0.00 0.18 0.47 -0.00 -0.02 -0.06 -0.04 0.38 0.74 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -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 -0.01 0.01 -0.00 0.01 -0.01 0.00 -0.11 0.11 -0.05 -0.02 -0.01 -0.01 0.01 0.02 -0.00 -0.03 0.01 -0.02 -0.02 0.03 -0.00 0.03 0.04 0.01 -0.02 0.01 -0.01 0.02 -0.07 0.02 0.02 -0.02 0.01 0.09 -0.01 0.03 0.01 0.05 -0.04 0.03 -0.06 0.07 0.07 -0.02 0.02 -0.01 0.02 -0.01 -0.03 -0.04 -0.01 0.02 -0.02 0.01 0.01 -0.10 0.01 0.08 -0.05 -0.01 -0.06 0.01 0.01 -0.07 0.07 -0.03 0.34 0.00 0.01 -0.03 -0.32 0.14 0.35 0.11 0.08 -0.10 -0.37 0.04 0.02 0.21 -0.06 -0.07 0.12 -0.27 -0.21 -0.02 -0.03 -0.23 0.22 0.28 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 -0.01 0.31 -0.30 0.15 -0.08 0.08 -0.04 0.02 -0.02 0.01 0.17 -0.07 0.02 0.06 -0.16 0.09 0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.10 0.01 -0.04 -0.23 0.07 -0.14 0.02 -0.07 0.01 0.13 0.17 0.03 -0.11 0.03 -0.17 -0.22 0.33 -0.08 -0.01 -0.05 0.09 0.07 -0.02 0.03 -0.10 0.26 -0.02 -0.02 0.10 -0.01 -0.15 -0.15 -0.04 -0.07 0.16 0.03 0.07 -0.03 -0.03 -0.32 0.19 -0.16 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 0.01 0.01 0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.01 -0.04 0.00 0.00 -0.01 -0.01 0.00 0.04 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 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 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.18 -0.24 -0.08 0.29 -0.04 0.14 -0.10 0.28 -0.07 -0.16 -0.13 -0.07 0.32 -0.05 0.16 -0.11 0.17 -0.06 -0.30 -0.13 -0.14 0.27 -0.03 0.17 -0.23 0.22 -0.15 -0.23 -0.07 -0.11 -0.15 0.14 -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 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.02 0.00 -0.00 -0.01 -0.01 0.01 0.02 0.00 0.00 -0.00 -0.04 0.02 0.08 -0.01 -0.00 0.02 0.06 -0.02 -0.11 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 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 0.01 -0.00 0.00 -0.00 0.04 -0.00 -0.09 0.00 0.00 0.01 -0.04 0.00 0.09 0.04 -0.00 -0.08 -0.00 -0.00 0.00 -0.03 0.00 0.07 -0.26 0.05 0.47 0.01 0.01 -0.02 0.24 -0.04 -0.47 -0.22 0.06 0.38 0.17 -0.03 -0.36 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.02 -0.00 -0.04 -0.01 0.01 0.02 -0.00 -0.00 -0.00 -0.03 0.02 0.08 -0.01 0.01 0.04 0.06 -0.03 -0.13 -0.01 -0.00 0.02 0.22 -0.08 -0.44 0.07 -0.02 -0.13 -0.36 0.14 0.68 -0.01 0.00 0.03 0.00 -0.01 -0.01 0.01 0.00 -0.02 0.01 0.00 -0.00 -0.03 0.01 0.12 0.03 0.00 -0.16 -0.00 -0.01 0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.02 0.03 0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 0.02 -0.00 0.01 0.00 -0.01 -0.04 -0.06 -0.00 0.00 -0.00 0.01 0.00 -0.02 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.05 0.01 0.09 0.00 -0.00 -0.01 0.04 -0.01 -0.08 -0.03 0.01 0.06 0.03 -0.00 -0.06 -0.01 0.00 0.02 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 -0.04 0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.02 -0.00 0.01 0.01 -0.01 0.00 0.01 0.01 -0.01 -0.03 0.00 0.00 0.00 0.04 -0.01 -0.06 0.03 -0.01 -0.06 -0.08 0.03 0.14 0.02 -0.01 -0.15 -0.01 0.00 0.06 -0.02 0.01 0.07 -0.00 0.00 0.02 0.13 -0.00 -0.42 -0.18 0.00 0.79 0.06 -0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.05 -0.01 0.04 -0.01 -0.00 0.01 -0.01 0.01 -0.01 -0.03 -0.04 -0.01 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 -0.00 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 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.12 -0.11 0.02 0.00 0.01 0.01 -0.00 0.01 0.01 -0.03 -0.01 -0.03 0.00 -0.04 -0.01 0.04 0.03 0.01 -0.02 -0.00 -0.01 -0.00 -0.03 0.02 0.03 0.02 0.00 0.06 0.01 0.08 -0.04 -0.04 -0.00 0.02 -0.05 -0.05 -0.04 0.01 0.01 -0.00 -0.03 -0.00 0.03 0.05 -0.00 0.02 0.03 0.00 -0.03 0.09 0.06 -0.02 -0.01 -0.08 -0.04 -0.04 -0.00 0.04 0.04 -0.01 -0.02 0.01 -0.00 0.01 -0.01 0.01 -0.04 0.56 -0.23 0.61 -0.06 0.06 0.11 -0.11 0.04 -0.04 -0.12 0.19 -0.11 0.11 -0.06 -0.20 0.03 0.14 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.01 0.00 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 0.00 0.00 -0.00 -0.00 -0.00 -0.00 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 0.01 -0.00 -0.03 -0.01 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 0.01 0.08 0.05 -0.01 -0.10 -0.04 0.00 0.08 0.01 -0.00 -0.03 -0.00 -0.00 -0.00 0.01 -0.00 -0.03 0.24 -0.03 -0.45 -0.27 0.04 0.55 0.24 -0.03 -0.45 -0.10 0.02 0.18 -0.08 0.01 0.17 0.01 -0.01 -0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.02 0.01 0.03 -0.01 0.00 0.01 0.00 0.00 -0.00 0.05 -0.02 -0.11 -0.05 0.02 0.10 0.03 -0.01 -0.05 -0.00 -0.00 0.00 -0.29 0.10 0.62 0.26 -0.08 -0.53 -0.14 0.06 0.28 -0.00 0.00 0.01 0.00 0.01 -0.02 -0.00 0.00 0.02 -0.00 -0.00 -0.00 0.03 -0.00 -0.11 0.01 -0.00 -0.06 -0.03 0.01 0.11 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.01 0.01 -0.00 0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.01 -0.03 -0.00 0.01 0.03 -0.00 -0.01 -0.01 -0.02 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 0.01 0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.03 -0.02 -0.05 -0.03 0.01 0.06 0.02 -0.01 -0.03 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.10 0.21 0.04 0.25 -0.04 0.13 0.04 -0.23 0.03 -0.14 -0.11 -0.06 -0.11 0.02 -0.06 -0.09 0.14 -0.06 -0.04 0.37 -0.06 0.28 -0.03 0.14 -0.15 -0.34 -0.02 -0.35 0.08 -0.22 -0.34 0.05 -0.17 0.01 -0.00 -0.03 0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.04 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.02 -0.00 0.00 0.02 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.06 0.02 0.11 0.04 -0.01 -0.07 -0.02 0.01 0.03 0.01 -0.00 -0.04 -0.03 0.00 0.11 0.03 -0.00 -0.13 0.00 -0.00 -0.00 -0.22 0.03 0.72 -0.05 0.01 0.24 0.14 -0.01 -0.54 -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 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.04 0.01 -0.01 -0.00 -0.01 0.03 0.04 0.01 -0.03 -0.16 -0.01 -0.11 0.02 -0.06 0.00 0.17 -0.00 0.27 -0.27 0.18 -0.02 -0.03 -0.02 0.32 0.17 0.14 0.28 -0.47 0.20 0.36 0.34 0.13 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.02 -0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.01 -0.01 0.00 0.06 -0.06 0.04 -0.01 0.01 -0.00 0.03 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.01 -0.00 0.01 -0.01 0.00 0.06 -0.06 0.02 -0.01 -0.03 0.01 -0.01 0.01 -0.01 0.02 -0.02 0.01 -0.06 -0.05 0.02 0.06 0.05 -0.02 -0.05 -0.47 0.21 0.51 0.01 0.00 0.02 0.07 -0.02 0.39 0.18 -0.17 -0.07 -0.02 -0.00 -0.26 -0.30 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.07 -0.04 -0.03 0.00 0.06 -0.00 0.06 -0.05 0.03 -0.09 -0.03 -0.04 -0.00 0.03 -0.00 0.08 -0.05 0.04 -0.23 0.09 -0.13 0.07 0.46 -0.00 0.32 0.06 0.18 -0.38 0.23 -0.24 0.46 0.11 0.22 0.01 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.02 0.01 -0.01 0.01 -0.02 0.01 0.02 -0.04 0.02 -0.04 0.02 -0.01 -0.02 -0.09 0.01 -0.11 -0.00 -0.05 0.02 0.14 -0.02 0.06 0.01 0.03 0.24 -0.34 0.17 -0.18 -0.23 -0.06 0.25 0.23 0.09 0.15 0.03 0.03 0.01 -0.12 0.01 -0.09 -0.02 -0.02 0.00 0.07 0.00 -0.38 0.26 -0.13 0.20 0.30 0.05 -0.20 -0.21 -0.05 0.00 0.00 0.00 0.02 0.00 -0.00 0.01 0.01 -0.01 0.02 -0.02 0.01 -0.03 0.02 -0.01 -0.00 -0.00 -0.00 -0.10 -0.03 0.04 -0.00 -0.00 -0.00 -0.05 -0.07 0.05 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.01 -0.02 0.02 -0.01 0.00 -0.00 0.00 -0.03 0.03 -0.01 -0.02 0.00 -0.00 -0.00 0.02 -0.01 0.00 -0.03 0.01 0.03 0.00 0.01 -0.01 -0.08 0.02 -0.08 -0.00 -0.04 0.03 0.13 -0.01 0.04 -0.01 0.03 0.31 -0.40 0.21 -0.14 -0.17 -0.04 0.27 0.22 0.10 -0.12 -0.03 -0.02 -0.01 0.08 -0.01 0.08 0.01 0.01 0.02 -0.05 0.00 0.40 -0.31 0.15 -0.17 -0.29 -0.04 0.14 0.15 0.03 -0.01 0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.01 0.00 0.01 0.08 -0.03 -0.10 -0.00 -0.00 -0.00 -0.01 0.00 -0.02 -0.02 0.01 0.01 0.00 0.00 0.02 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.02 -0.02 -0.00 0.01 -0.00 -0.02 0.06 0.02 0.01 0.01 0.06 -0.01 0.03 0.03 0.01 0.04 0.05 0.01 -0.03 -0.05 -0.00 0.03 0.02 0.01 0.00 0.03 -0.00 -0.04 -0.05 -0.01 0.12 -0.20 0.08 0.08 0.24 0.00 0.07 0.05 0.02 0.02 0.00 0.01 0.03 0.04 0.01 -0.06 -0.04 -0.01 -0.05 -0.06 -0.01 -0.24 0.14 -0.07 0.04 0.08 0.00 0.33 0.14 0.08 -0.05 -0.04 0.01 -0.07 0.02 -0.01 0.01 -0.07 0.03 -0.10 0.41 -0.17 0.44 -0.12 0.07 -0.02 0.04 -0.01 0.23 0.12 -0.11 0.04 -0.02 0.01 0.17 0.17 -0.13 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.04 -0.04 0.02 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.03 -0.04 -0.01 0.04 0.04 0.01 0.04 0.06 0.01 -0.06 -0.04 -0.01 -0.05 -0.08 -0.01 0.03 0.05 0.00 -0.00 -0.00 0.00 -0.07 -0.06 -0.02 0.09 -0.22 0.08 0.18 0.61 -0.01 0.05 0.01 0.01 0.01 0.00 -0.00 -0.05 -0.04 -0.01 0.06 0.05 0.02 0.05 0.08 0.01 0.21 -0.10 0.06 0.00 -0.04 0.01 -0.57 -0.22 -0.14 -0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.02 0.06 -0.03 0.05 -0.02 0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 0.04 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 -0.01 -0.01 -0.00 -0.02 -0.02 -0.00 -0.05 -0.05 0.00 0.06 -0.00 0.02 0.00 0.06 -0.01 -0.01 0.04 -0.01 0.03 -0.01 0.01 -0.00 -0.03 0.01 0.03 0.03 0.01 -0.00 -0.01 0.00 -0.05 -0.05 -0.01 0.22 -0.24 0.14 0.13 0.41 0.00 0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.02 0.03 0.00 -0.03 0.01 -0.00 -0.03 -0.04 -0.01 -0.24 0.22 -0.08 -0.01 0.00 -0.01 0.31 0.14 0.08 0.03 0.02 -0.01 0.09 0.01 0.00 0.01 0.09 -0.03 0.12 -0.28 0.12 -0.30 0.12 -0.07 0.01 -0.06 0.02 -0.24 -0.14 0.12 -0.06 0.01 -0.01 -0.19 -0.18 0.14 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -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 0.01 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 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.01 -0.05 -0.00 0.05 0.04 0.02 -0.01 0.02 -0.01 -0.01 -0.01 -0.01 -0.03 0.00 -0.02 0.05 -0.04 0.03 -0.08 -0.53 -0.01 0.56 0.28 0.27 -0.28 0.28 -0.18 -0.19 -0.07 -0.09 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.01 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.01 0.00 -0.00 0.01 0.01 -0.01 0.02 0.00 -0.00 -0.01 -0.00 0.00 -0.02 -0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.02 0.01 -0.00 0.00 0.00 0.04 -0.05 0.02 0.01 0.05 0.00 0.01 0.01 0.00 -0.02 0.01 -0.01 -0.01 0.01 -0.01 -0.02 -0.02 -0.01 0.46 -0.44 0.28 0.08 0.51 -0.00 0.04 0.02 0.02 -0.15 0.12 -0.09 -0.36 -0.17 -0.17 0.01 0.01 -0.00 0.01 0.01 0.00 -0.00 0.01 0.02 -0.06 -0.01 -0.01 -0.00 -0.06 0.01 -0.06 -0.02 -0.03 -0.01 -0.07 -0.01 0.03 -0.00 0.02 -0.02 0.03 -0.02 0.00 -0.01 0.01 0.01 0.02 0.00 0.18 -0.14 0.12 0.03 0.22 -0.02 -0.03 -0.03 -0.02 -0.02 0.00 -0.00 0.03 -0.02 0.01 -0.01 0.04 -0.00 0.02 0.01 0.01 -0.16 0.19 -0.05 -0.02 -0.04 -0.01 0.22 0.05 0.06 0.04 0.04 -0.01 -0.08 -0.09 0.03 -0.10 -0.07 0.02 -0.08 -0.30 0.12 -0.34 -0.06 0.01 0.10 0.01 0.00 0.45 0.12 -0.09 0.02 0.10 -0.04 0.18 0.38 -0.21 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 0.04 -0.04 0.03 0.00 0.04 0.00 0.02 0.01 0.01 -0.02 0.02 -0.01 -0.04 -0.02 -0.02 -0.02 -0.01 0.00 -0.03 -0.04 -0.00 -0.06 -0.06 -0.01 0.15 -0.02 0.04 -0.02 0.15 -0.04 0.05 0.04 0.02 0.03 0.05 0.01 -0.04 0.01 -0.02 0.04 -0.05 0.03 0.02 0.03 0.01 -0.03 -0.06 -0.00 -0.12 0.09 -0.09 -0.08 -0.48 0.05 0.19 0.08 0.09 0.02 0.03 0.00 -0.05 0.04 -0.01 0.02 -0.04 0.01 -0.06 -0.04 -0.01 0.09 -0.11 0.02 0.05 0.20 0.01 -0.45 -0.09 -0.11 0.01 0.01 -0.00 -0.01 -0.04 0.02 -0.05 -0.01 0.00 -0.00 -0.22 0.09 -0.25 0.01 -0.02 0.08 -0.03 0.02 0.28 0.04 -0.03 -0.02 0.08 -0.03 0.06 0.24 -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 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 -0.02 0.01 0.00 -0.00 0.00 -0.07 0.07 -0.03 -0.05 -0.07 -0.01 0.06 0.05 0.02 0.09 0.06 0.03 -0.05 -0.10 -0.01 -0.07 -0.04 -0.03 -0.01 -0.03 0.00 0.03 0.03 0.01 -0.03 -0.05 -0.00 -0.38 0.25 -0.23 -0.07 -0.26 0.00 0.29 0.12 0.13 -0.02 -0.03 -0.00 0.03 0.01 0.01 0.02 0.08 0.01 0.05 0.04 0.01 -0.29 0.41 -0.09 -0.08 -0.34 -0.02 0.27 0.10 0.07 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 0.01 0.04 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.01 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 -0.01 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 0.01 0.00 -0.01 0.01 0.01 0.00 -0.08 -0.10 -0.03 -0.09 0.14 -0.03 0.12 -0.08 0.08 0.13 -0.01 0.07 -0.02 0.15 0.00 -0.05 -0.07 -0.02 -0.04 0.00 -0.02 -0.02 0.04 -0.02 -0.02 0.02 -0.02 -0.37 0.22 -0.22 0.05 0.34 -0.05 -0.01 0.05 -0.01 0.04 -0.02 0.01 0.01 -0.05 0.00 -0.07 -0.06 -0.02 0.03 -0.02 0.00 0.27 -0.42 0.09 0.05 0.01 0.02 0.33 0.06 0.07 -0.04 -0.04 0.01 0.04 0.00 0.00 0.01 0.03 -0.01 0.05 -0.09 0.04 -0.11 0.05 -0.03 0.05 -0.06 0.03 0.21 -0.01 0.01 -0.06 0.05 -0.02 0.00 0.18 -0.08 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -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 0.03 0.02 0.02 -0.04 0.04 -0.01 0.03 -0.03 0.02 -0.08 0.11 -0.07 0.11 -0.07 0.02 0.03 -0.03 0.02 -0.03 0.00 -0.01 0.04 -0.05 0.03 -0.04 -0.01 -0.02 -0.14 0.12 -0.09 -0.03 0.01 -0.02 0.60 0.12 0.28 -0.05 0.04 -0.01 0.00 -0.03 0.00 -0.04 0.02 -0.01 -0.00 -0.04 -0.00 0.14 -0.16 0.04 0.05 0.61 0.00 0.04 -0.02 0.01 0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.03 0.00 0.00 -0.01 -0.00 0.00 -0.05 -0.01 -0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.04 0.04 -0.02 0.00 -0.00 0.00 -0.08 0.09 -0.04 0.01 -0.03 0.00 0.03 -0.01 0.02 0.08 -0.06 0.05 0.09 -0.11 0.02 -0.02 -0.01 -0.01 -0.01 -0.00 -0.00 -0.03 0.04 -0.03 0.03 0.01 0.01 -0.07 0.04 -0.04 0.03 0.13 -0.01 -0.32 -0.05 -0.16 -0.05 0.04 -0.01 0.00 0.00 0.00 0.01 0.03 0.00 -0.00 -0.04 -0.00 -0.03 0.06 -0.01 0.01 0.47 -0.00 -0.12 -0.04 -0.03 -0.06 0.06 -0.03 0.00 -0.05 0.02 0.05 -0.00 0.00 -0.01 0.29 -0.12 -0.31 0.03 -0.03 -0.01 -0.02 0.01 0.38 0.12 -0.07 0.02 -0.00 0.00 -0.17 -0.33 0.17 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.02 0.03 0.01 0.01 0.05 -0.00 -0.01 0.03 -0.01 0.07 -0.02 0.04 -0.02 -0.10 -0.00 -0.07 0.00 -0.03 0.27 -0.19 0.15 -0.03 -0.20 -0.00 -0.34 -0.11 -0.16 -0.35 0.37 -0.22 0.47 0.25 0.22 -0.05 0.05 -0.02 0.01 -0.01 0.00 -0.07 0.05 -0.03 0.00 -0.09 0.00 0.08 0.00 0.04 0.03 -0.13 0.05 0.16 -0.03 0.03 -0.05 0.03 -0.03 -0.02 -0.06 0.00 0.05 0.05 0.02 -0.04 0.06 -0.03 0.03 -0.04 0.02 0.04 0.15 -0.01 -0.20 -0.02 -0.08 -0.04 -0.08 -0.01 0.07 0.02 0.02 -0.05 0.06 -0.02 -0.08 0.05 -0.02 0.06 -0.06 0.03 0.01 0.22 -0.02 -0.15 -0.05 -0.03 0.06 -0.05 0.02 -0.00 0.07 -0.03 -0.08 -0.01 -0.00 0.02 -0.39 0.16 0.42 -0.05 0.05 0.03 0.02 -0.01 -0.41 -0.13 0.08 -0.01 -0.02 0.01 0.17 0.30 -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 -0.01 -0.00 -0.00 0.00 0.00 0.02 -0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.01 -0.01 0.01 0.01 0.00 0.08 -0.08 0.04 0.00 0.00 -0.00 0.07 -0.05 0.02 -0.12 -0.07 -0.04 0.02 0.11 -0.00 -0.08 -0.07 -0.03 0.10 0.10 0.03 -0.05 0.08 -0.04 0.02 -0.07 0.02 0.10 -0.02 0.05 -0.09 0.05 -0.06 0.16 -0.10 0.08 0.02 -0.09 0.03 0.17 0.01 0.11 0.03 -0.14 0.01 0.11 -0.01 0.03 -0.11 0.07 -0.03 -0.09 0.13 -0.02 0.12 -0.17 0.06 0.01 -0.24 -0.02 0.03 -0.05 0.01 -0.07 0.04 -0.02 -0.00 -0.06 0.03 0.09 0.02 -0.00 -0.02 0.35 -0.14 -0.37 0.06 -0.05 -0.01 -0.03 0.01 0.41 0.12 -0.07 -0.00 0.00 -0.00 -0.15 -0.24 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 0.01 -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 -0.01 0.00 -0.01 -0.01 -0.00 -0.11 -0.13 0.01 0.01 0.03 0.00 0.02 0.03 0.01 0.03 0.03 0.01 0.02 0.04 0.00 0.00 -0.03 0.01 -0.00 0.00 -0.00 -0.03 0.01 -0.02 0.01 -0.03 0.01 -0.14 0.10 -0.09 0.02 0.08 -0.01 0.02 0.02 0.00 0.02 -0.04 0.01 0.01 -0.01 0.00 -0.04 0.00 -0.01 -0.03 0.02 -0.01 0.13 -0.16 0.04 0.02 -0.02 0.00 0.11 0.02 0.02 0.15 0.15 -0.05 -0.11 -0.10 0.03 -0.08 -0.10 0.03 -0.14 0.04 -0.02 -0.08 -0.12 0.04 0.02 0.14 -0.06 -0.52 -0.03 0.03 0.16 0.01 0.00 -0.13 -0.55 0.28 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 0.03 -0.00 0.03 0.03 -0.00 -0.02 -0.02 -0.02 -0.03 -0.16 -0.01 -0.16 -0.12 -0.07 0.07 0.27 -0.02 0.20 0.06 0.05 0.12 -0.16 0.09 0.02 0.21 -0.03 -0.23 -0.02 -0.11 0.20 -0.18 0.14 -0.22 0.16 -0.11 -0.10 -0.18 -0.01 -0.17 -0.03 -0.13 -0.00 -0.19 0.01 0.16 0.04 0.04 -0.11 0.08 -0.03 -0.17 0.17 -0.04 0.08 -0.13 0.06 -0.01 -0.23 -0.03 -0.24 -0.10 -0.05 -0.05 -0.05 0.01 0.03 0.02 -0.01 0.01 0.02 -0.01 0.04 -0.04 0.02 0.02 0.03 -0.01 0.02 -0.04 0.02 0.14 0.00 -0.00 -0.04 0.02 -0.01 0.04 0.17 -0.09 0.00 0.00 0.00 0.01 -0.01 0.01 0.00 0.01 0.00 -0.01 -0.01 -0.01 0.01 -0.01 0.00 0.00 0.01 0.00 -0.01 -0.00 -0.01 -0.03 0.02 -0.02 0.00 -0.01 -0.00 0.02 0.01 0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 0.15 -0.15 0.07 -0.02 0.02 -0.01 -0.03 0.03 -0.01 -0.11 0.06 -0.04 -0.07 0.11 -0.05 0.04 0.01 0.02 0.00 -0.04 0.00 -0.05 0.04 -0.03 0.05 0.04 0.02 -0.02 0.01 -0.01 0.03 -0.07 0.03 0.16 -0.16 0.11 -0.05 -0.36 0.04 -0.41 -0.12 -0.19 -0.01 0.01 -0.00 -0.02 -0.06 -0.00 -0.05 0.06 -0.01 0.06 -0.02 0.01 0.18 -0.18 0.05 0.06 0.45 0.01 0.33 0.06 0.08 0.01 -0.02 0.01 0.01 0.03 -0.01 -0.03 -0.00 -0.00 0.01 -0.12 0.05 0.12 -0.02 0.01 -0.00 -0.00 0.00 -0.10 -0.04 0.02 0.00 0.00 -0.00 0.05 0.10 -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 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -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 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 0.00 0.01 0.02 -0.00 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 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.21 -0.19 0.12 0.04 0.23 0.00 -0.25 -0.11 -0.12 0.18 -0.15 0.10 0.04 0.27 0.00 -0.22 -0.09 -0.10 -0.35 0.31 -0.19 -0.00 -0.03 -0.00 0.43 0.19 0.20 -0.07 0.08 -0.04 0.13 0.07 0.05 -0.02 0.02 -0.01 -0.00 0.00 -0.00 -0.02 0.02 -0.01 0.07 0.02 0.02 -0.01 -0.08 0.01 0.05 0.03 0.02 -0.02 -0.05 -0.01 -0.03 0.01 -0.02 0.02 0.05 -0.00 0.03 -0.02 0.02 -0.02 0.01 -0.02 0.10 -0.13 0.08 -0.04 -0.18 0.01 -0.04 -0.05 -0.01 0.02 -0.03 0.01 -0.05 -0.02 -0.01 -0.01 0.03 -0.00 -0.02 0.03 -0.00 0.14 -0.11 0.04 0.04 0.05 0.01 0.17 0.05 0.04 -0.02 0.02 -0.01 -0.10 -0.16 0.06 0.18 0.09 -0.03 -0.14 0.26 -0.11 -0.27 0.14 -0.07 0.15 0.12 -0.04 -0.47 -0.09 0.06 -0.14 -0.13 0.05 0.14 0.41 -0.21 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.11 0.02 0.06 -0.03 -0.19 -0.00 -0.10 0.06 -0.05 0.07 0.06 0.03 -0.03 -0.17 -0.00 -0.03 0.09 -0.02 -0.20 0.33 -0.13 0.10 0.72 0.00 0.24 0.24 0.10 -0.04 0.18 -0.04 0.05 0.14 0.01 0.02 -0.02 0.01 0.01 -0.00 0.00 0.04 -0.05 0.02 -0.14 -0.10 -0.04 0.07 0.14 0.01 -0.13 -0.02 -0.07 0.00 0.16 0.01 0.05 -0.05 0.04 -0.07 -0.05 -0.02 0.01 0.07 -0.01 0.07 -0.07 0.05 -0.24 0.23 -0.17 -0.00 0.23 -0.04 -0.28 -0.01 -0.15 -0.08 -0.02 -0.02 0.05 0.09 0.01 0.07 -0.06 0.02 0.09 -0.09 0.02 -0.29 0.30 -0.08 -0.03 0.35 -0.01 -0.26 -0.01 -0.06 -0.01 0.01 -0.01 -0.04 -0.05 0.02 0.06 0.03 -0.01 -0.05 0.06 -0.03 -0.07 0.05 -0.02 0.06 0.05 -0.02 -0.23 -0.06 0.04 -0.05 -0.05 0.02 0.08 0.20 -0.10 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 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 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.02 0.01 0.01 0.01 0.03 0.00 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 0.01 -0.01 0.01 -0.01 -0.02 -0.00 0.00 0.02 -0.00 0.01 -0.01 0.01 -0.04 0.05 -0.03 0.00 0.06 -0.01 -0.04 0.00 -0.02 0.01 -0.00 0.00 -0.02 -0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.00 0.05 -0.04 0.01 0.01 -0.03 0.00 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 0.00 -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 0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.02 0.11 -0.02 0.07 -0.02 0.04 -0.06 -0.09 -0.02 -0.09 0.16 -0.06 0.10 -0.03 0.05 -0.13 -0.11 -0.06 0.33 -0.18 0.18 0.10 0.03 0.05 0.40 0.10 0.19 0.34 -0.23 0.20 0.44 0.14 0.21 -0.00 -0.01 -0.00 -0.03 -0.03 -0.00 0.06 0.06 0.01 0.13 0.05 0.04 0.05 0.16 -0.00 -0.13 -0.05 -0.06 -0.03 -0.14 -0.01 0.08 -0.05 0.05 -0.08 -0.10 -0.02 0.00 0.09 -0.02 0.08 -0.07 0.06 -0.26 0.29 -0.19 0.04 0.37 -0.05 -0.22 0.04 -0.12 0.08 -0.00 0.02 -0.09 -0.08 -0.02 -0.05 0.08 -0.01 -0.07 0.08 -0.02 0.30 -0.26 0.08 0.06 -0.20 0.01 0.34 0.06 0.08 -0.01 -0.01 0.01 0.00 0.01 -0.00 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.01 0.00 0.07 0.01 -0.01 -0.02 -0.01 0.00 0.03 0.08 -0.04 -0.00 -0.00 0.00 0.01 -0.03 0.01 -0.02 0.00 -0.01 0.01 0.02 0.01 0.02 -0.04 0.01 -0.02 0.00 -0.01 0.03 0.03 0.01 -0.08 0.05 -0.05 -0.02 0.00 -0.01 -0.09 -0.02 -0.04 -0.08 0.06 -0.05 -0.10 -0.03 -0.05 -0.02 -0.01 0.01 0.02 0.02 0.00 0.00 -0.00 -0.01 0.03 -0.13 0.01 -0.12 0.02 -0.06 0.07 -0.08 0.05 -0.09 0.07 -0.02 0.07 0.03 0.03 0.02 -0.09 0.03 -0.13 -0.01 -0.06 0.02 0.07 -0.00 0.03 0.09 -0.01 0.14 0.30 0.02 0.47 0.18 0.20 0.00 -0.14 0.00 -0.09 0.02 -0.02 0.02 0.08 0.01 0.07 0.03 0.01 0.10 0.03 0.03 0.12 0.53 0.02 0.29 0.17 0.07 -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 0.01 0.00 -0.00 0.02 0.00 0.01 0.00 0.01 -0.00 0.00 0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.08 -0.08 0.04 -0.01 0.01 -0.00 -0.03 0.03 -0.02 -0.07 0.12 -0.02 -0.11 0.07 -0.07 0.06 -0.08 0.05 0.09 -0.07 0.02 0.06 0.03 0.03 0.02 -0.10 0.03 -0.13 -0.00 -0.07 0.04 0.05 0.01 -0.00 0.12 -0.03 0.14 0.31 0.01 0.43 0.18 0.18 -0.01 0.14 -0.01 0.10 -0.02 0.02 -0.02 -0.07 -0.01 -0.05 -0.04 -0.01 -0.11 -0.00 -0.03 -0.12 -0.47 -0.02 -0.28 -0.17 -0.07 -0.08 0.07 -0.03 -0.02 -0.00 -0.00 0.00 0.02 -0.01 -0.02 -0.07 0.03 0.08 0.01 -0.00 0.09 0.00 0.00 -0.15 -0.08 0.03 -0.01 -0.08 0.03 0.09 0.13 -0.06 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.03 -0.03 0.01 -0.00 0.00 -0.00 -0.06 0.06 -0.03 -0.03 0.05 -0.01 -0.05 0.02 -0.03 0.02 -0.04 0.03 0.05 -0.03 0.00 0.02 0.03 0.01 -0.00 -0.07 0.01 -0.05 0.02 -0.03 0.03 0.01 0.01 0.00 0.06 -0.01 0.07 0.17 0.00 0.11 0.07 0.04 -0.03 0.05 -0.01 0.07 0.00 0.02 -0.02 -0.03 -0.01 -0.01 -0.03 0.00 -0.05 -0.01 -0.02 -0.06 -0.13 -0.01 -0.15 -0.08 -0.04 0.34 -0.33 0.15 -0.02 -0.11 0.04 0.12 0.01 0.00 -0.06 0.40 -0.17 -0.43 0.08 -0.05 -0.20 0.10 -0.05 -0.13 0.14 -0.07 -0.10 0.19 -0.09 -0.15 0.14 -0.06 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.06 -0.06 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 0.01 -0.01 0.01 -0.00 0.01 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.23 0.20 -0.07 -0.19 0.30 -0.13 0.31 -0.19 0.09 -0.21 -0.36 0.13 -0.40 -0.18 0.05 -0.12 -0.10 0.04 0.28 0.04 -0.01 -0.12 -0.10 0.04 0.06 0.27 -0.11 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.27 -0.16 0.15 -0.17 0.02 -0.08 0.31 0.08 0.15 -0.21 0.08 -0.11 0.09 -0.01 0.05 -0.23 -0.02 -0.12 -0.28 0.34 -0.16 -0.19 0.04 -0.10 -0.37 -0.23 -0.17 0.06 -0.20 0.05 0.13 0.17 0.05 0.01 -0.01 0.01 -0.01 0.01 -0.00 0.00 -0.02 0.01 0.14 0.15 0.04 -0.12 -0.13 -0.04 0.07 0.19 -0.00 -0.22 -0.09 -0.05 0.03 0.14 -0.01 -0.09 -0.26 0.01 0.14 0.13 0.04 -0.02 -0.09 0.01 0.13 0.07 0.05 0.06 0.31 -0.03 -0.22 0.04 -0.12 -0.13 -0.17 -0.03 0.29 0.12 0.07 -0.17 -0.02 -0.04 0.11 0.02 0.03 -0.04 -0.19 -0.01 -0.08 0.27 -0.03 -0.34 -0.10 -0.08 0.01 0.07 -0.03 0.03 -0.02 0.01 -0.04 0.02 -0.01 0.04 0.03 -0.01 0.08 0.02 -0.00 -0.03 -0.02 0.01 0.13 0.04 -0.01 0.00 -0.04 0.02 0.05 0.03 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -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 -0.05 -0.05 0.01 -0.00 -0.04 0.00 -0.01 0.03 -0.01 0.01 -0.04 0.01 0.01 0.02 0.00 0.02 -0.05 0.02 0.00 0.05 -0.01 -0.00 -0.02 0.00 -0.01 0.02 -0.01 -0.05 0.02 -0.03 -0.03 -0.04 -0.01 0.01 -0.01 0.01 0.01 0.03 0.00 -0.01 -0.02 -0.00 -0.01 0.03 -0.00 -0.00 -0.01 -0.00 0.04 -0.01 0.01 0.00 -0.05 0.00 0.04 -0.01 0.01 0.21 0.18 -0.06 0.14 -0.14 0.07 -0.14 0.14 -0.06 0.17 0.27 -0.10 0.29 0.14 -0.04 -0.18 -0.03 0.01 0.44 0.21 -0.10 -0.05 -0.16 0.06 0.26 0.40 -0.18 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 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 -0.01 -0.04 -0.04 -0.00 0.04 0.04 0.00 0.14 0.13 0.04 0.14 0.18 0.04 -0.09 -0.25 0.00 -0.21 -0.09 -0.05 -0.00 -0.19 0.03 0.09 0.31 -0.01 -0.14 -0.15 -0.04 0.01 0.11 -0.02 -0.19 -0.04 -0.09 -0.09 -0.34 0.02 0.23 -0.06 0.12 -0.11 -0.13 -0.02 0.26 0.09 0.06 -0.17 0.00 -0.04 0.10 0.01 0.02 -0.00 -0.20 0.00 -0.08 0.20 -0.02 -0.28 -0.10 -0.07 -0.02 -0.02 0.01 -0.01 0.01 -0.00 0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.02 -0.01 0.00 0.01 0.00 -0.00 -0.02 -0.01 0.01 0.00 0.01 -0.01 -0.02 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 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 -0.00 -0.00 0.00 0.01 0.00 0.00 0.04 -0.04 0.02 -0.01 0.01 -0.00 -0.02 0.02 -0.01 -0.05 0.15 -0.02 -0.14 0.04 -0.08 0.07 -0.04 0.04 0.05 -0.07 0.01 0.14 -0.12 0.10 -0.07 0.07 -0.05 0.14 0.00 0.07 -0.10 0.05 -0.06 -0.15 0.16 -0.10 -0.11 -0.01 -0.05 -0.16 -0.09 -0.06 0.01 -0.16 0.00 -0.07 0.07 -0.02 0.13 -0.15 0.04 -0.06 0.11 -0.01 -0.17 0.16 -0.05 0.07 0.18 0.01 -0.01 0.11 -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 0.02 0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.02 0.01 -0.00 -0.00 0.00 -0.04 0.16 -0.03 -0.04 -0.27 -0.00 0.08 0.14 0.03 0.05 -0.18 0.04 0.04 0.28 0.00 -0.10 -0.16 -0.04 0.16 0.01 0.08 0.04 0.29 0.00 -0.15 0.06 -0.08 -0.17 0.01 -0.09 0.17 -0.05 0.09 -0.07 -0.02 -0.01 0.04 0.03 0.00 0.01 -0.02 0.00 0.08 -0.27 0.02 -0.03 -0.01 -0.01 0.02 0.01 0.01 -0.07 0.13 -0.01 0.02 -0.01 0.01 -0.02 -0.01 -0.01 0.04 0.01 0.02 -0.02 0.00 -0.01 -0.01 0.02 -0.01 -0.02 0.01 -0.01 -0.04 -0.01 -0.02 -0.02 0.28 -0.01 0.11 -0.13 0.03 -0.22 0.26 -0.06 0.10 -0.19 0.02 0.29 -0.25 0.09 -0.11 -0.33 -0.01 0.02 -0.19 0.01 -0.03 -0.02 0.01 -0.02 0.01 -0.01 0.01 -0.01 0.01 -0.02 -0.03 0.01 -0.03 -0.02 0.00 0.03 0.01 -0.00 -0.10 -0.04 0.02 0.01 0.02 -0.01 -0.03 -0.06 0.03 0.00 0.00 -0.00 -0.03 0.12 -0.02 -0.03 -0.20 -0.00 0.06 0.10 0.02 0.03 -0.13 0.03 0.03 0.20 0.00 -0.07 -0.11 -0.03 0.12 0.01 0.06 0.03 0.21 0.00 -0.11 0.04 -0.06 -0.13 0.01 -0.06 0.13 -0.03 0.06 -0.03 -0.07 0.01 0.03 0.05 0.00 -0.01 0.01 -0.01 0.01 -0.06 0.00 -0.24 0.05 -0.13 0.11 -0.06 0.07 -0.00 0.03 0.00 0.24 -0.21 0.16 -0.11 0.11 -0.08 0.25 0.01 0.13 -0.17 0.08 -0.11 -0.24 0.26 -0.17 -0.18 -0.01 -0.09 -0.29 -0.15 -0.11 -0.00 0.07 -0.00 0.02 -0.03 0.00 -0.04 0.06 -0.01 0.02 -0.04 0.00 0.06 -0.05 0.02 -0.03 -0.08 -0.00 0.01 -0.04 0.00 -0.03 -0.03 0.01 -0.02 0.02 -0.01 0.02 -0.02 0.01 -0.02 -0.03 0.01 -0.04 -0.02 0.01 0.03 0.01 -0.00 -0.08 -0.03 0.01 0.02 0.03 -0.01 -0.06 -0.10 0.05 0.00 -0.00 -0.00 0.03 -0.11 0.02 0.03 0.18 -0.00 -0.05 -0.09 -0.02 -0.03 0.12 -0.03 -0.03 -0.18 0.00 0.06 0.10 0.02 -0.11 -0.00 -0.06 -0.03 -0.19 -0.00 0.09 -0.04 0.05 0.12 -0.01 0.06 -0.11 0.03 -0.06 0.55 0.59 0.06 -0.36 -0.38 -0.04 -0.00 -0.01 -0.00 -0.05 -0.11 -0.01 -0.10 -0.06 -0.03 0.04 -0.01 0.02 -0.01 0.04 -0.00 0.06 -0.01 0.03 -0.02 -0.01 -0.01 0.03 0.01 0.02 -0.03 0.02 -0.02 -0.02 0.10 -0.01 -0.01 0.05 -0.02 -0.03 -0.01 -0.01 0.00 0.04 0.00 -0.00 -0.03 -0.00 -0.01 0.06 -0.01 0.02 -0.03 0.00 0.09 -0.01 0.04 -0.01 -0.03 0.00 0.05 -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 -0.02 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.02 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.01 0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.01 -0.08 0.02 -0.00 0.00 -0.00 -0.01 -0.02 -0.00 0.13 -0.04 0.07 -0.17 0.92 -0.29 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.06 0.01 -0.01 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 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.06 -0.02 -0.08 0.01 -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.02 -0.00 0.94 -0.17 0.21 -0.06 0.15 -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 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 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 -0.00 0.00 0.00 -0.00 -0.00 0.02 0.03 0.01 -0.03 0.01 -0.02 0.02 -0.06 0.01 0.01 0.02 0.01 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.22 -0.31 -0.09 0.42 -0.07 0.22 -0.22 0.65 -0.16 -0.18 -0.25 -0.07 -0.05 0.13 -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 0.01 -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 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.05 -0.01 0.02 0.00 0.01 0.01 -0.04 0.01 0.02 0.02 0.01 -0.00 -0.00 -0.00 -0.01 0.03 -0.01 0.41 0.56 0.17 -0.17 0.02 -0.09 -0.14 0.42 -0.10 -0.20 -0.26 -0.07 0.11 -0.33 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -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 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.00 -0.04 0.01 -0.02 0.01 -0.02 0.01 -0.04 -0.05 -0.02 -0.00 0.00 -0.00 -0.01 0.02 -0.00 0.12 0.17 0.05 0.40 -0.07 0.21 -0.07 0.20 -0.05 0.46 0.61 0.17 0.09 -0.27 0.06 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 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 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.03 -0.00 0.02 0.01 -0.03 0.01 -0.02 -0.02 -0.01 0.00 0.00 0.00 0.02 -0.06 0.01 0.10 0.13 0.04 -0.36 0.05 -0.18 -0.12 0.35 -0.09 0.21 0.27 0.08 -0.23 0.67 -0.15 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 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 -0.01 -0.00 -0.00 -0.01 0.05 -0.00 -0.05 -0.05 -0.01 0.00 -0.00 0.00 0.54 0.57 0.13 0.11 -0.02 0.02 0.18 -0.56 0.05 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 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 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.03 0.03 0.01 -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 0.00 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 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.04 -0.01 -0.05 0.01 -0.02 -0.01 0.03 -0.01 0.01 0.01 0.01 0.00 0.00 0.00 0.02 -0.04 0.01 0.29 0.39 0.12 0.52 -0.08 0.27 0.10 -0.30 0.07 -0.13 -0.17 -0.05 -0.16 0.45 -0.10 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.04 -0.05 -0.01 0.05 -0.01 0.02 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.49 0.60 0.13 -0.52 0.13 -0.28 -0.02 0.10 -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 0.01 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 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -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 -0.02 -0.02 -0.01 -0.03 0.00 -0.01 -0.01 0.02 -0.00 0.01 0.01 0.00 0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.02 0.01 -0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 0.02 -0.07 0.01 -0.04 -0.04 -0.01 -0.00 0.00 -0.00 0.40 0.43 0.10 -0.11 0.02 -0.02 -0.25 0.74 -0.07 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.04 -0.01 -0.06 0.02 -0.03 0.00 0.01 -0.00 0.00 -0.00 0.00 0.38 0.47 0.10 0.67 -0.17 0.37 0.01 -0.10 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 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 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 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.06 -0.01 -0.00 0.01 0.06 -0.02 0.70 0.04 0.02 -0.08 -0.65 0.26 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 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.07 0.00 -0.00 -0.00 -0.06 0.03 0.70 0.03 0.02 0.08 0.65 -0.26 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.00 0.00 -0.00 0.02 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 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 -0.00 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 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.03 -0.01 0.17 -0.37 0.15 -0.06 0.02 -0.02 0.80 -0.35 0.22 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -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 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.02 0.01 0.03 -0.06 0.02 -0.34 0.78 -0.31 -0.03 0.01 -0.01 0.38 -0.16 0.10 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 6 8 5 6 6 6 6 6 6 6 7 1 1 1 6 6 6 7 1 1 1 6 6 6 1 1 7 1 7 1 53 6 6 6 6 6 6 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 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 6 8 5 6 6 6 6 6 6 6 7 1 1 1 6 6 6 7 1 1 1 6 6 6 1 1 7 1 7 1 53 6 6 6 6 6 6 1 1 1 1 1 12.00000 15.99491 11.00931 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 1.00783 1.00783 14.00307 1.00783 14.00307 1.00783 126.90040 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 465.03429 0.99982 -0.01565 -0.01087 0.01461 0.99584 -0.0899 0.01223 0.08973 0.99589 asymmetric 1 0.01055 0.00664 0.00584 0.21984 0.13834 0.12165 838156.5 19.40 26.12 63.40 69.87 77.16 89.07 89.90 92.65 113.30 138.42 157.53 172.19 213.84 229.25 299.08 327.30 353.78 377.46 411.16 419.96 498.85 522.83 582.83 605.94 611.20 623.15 672.50 679.98 756.37 832.98 868.33 882.80 905.13 920.19 925.12 974.30 994.28 1005.99 1055.54 1068.63 1083.17 1102.55 1119.22 1139.63 1178.46 1203.45 1210.45 1255.32 1256.76 1285.97 1313.14 1313.97 1336.45 1344.85 1368.45 1395.75 1409.12 1430.11 1436.45 1444.73 1461.44 1471.57 1485.47 1490.69 1498.72 1519.57 1549.63 1555.03 1569.85 1577.72 1609.58 1615.86 1628.79 1681.46 1685.69 1691.18 1714.58 1724.26 1778.07 1851.03 1860.01 1870.55 1887.86 1898.74 1907.86 1912.77 1935.10 1956.95 2101.95 2120.69 2125.88 2138.27 2141.00 2156.65 2171.59 2214.29 2258.03 2341.27 2375.54 2377.30 2392.32 2416.59 2416.86 2417.77 2613.68 4574.99 4576.21 4592.85 4605.13 4620.44 4626.78 4636.27 4636.84 4642.69 4655.70 4661.75 4757.54 4785.13 4841.20 4875.14 0.319237 0.341745 0.342689 0.262251 -1386.574799 -1386.552291 -1386.551347 -1386.631784 214.448 84.538 169.295 0.000 0.000 1.377 0.889 2.981 44.299 0.889 2.981 35.717 212.670 78.576 87.901 1 0.593 1.987 7.418 2 0.593 1.986 6.826 3 0.595 1.980 5.067 4 0.595 1.978 4.875 5 0.596 1.976 4.679 6 0.597 1.972 4.396 7 0.597 1.972 4.377 8 0.597 1.971 4.318 9 0.600 1.963 3.922 10 0.603 1.952 3.530 11 0.606 1.942 3.278 12 0.609 1.933 3.106 13 0.618 1.904 2.690 14 0.621 1.892 2.558 15 0.641 1.829 2.062 16 0.651 1.799 1.899 17 0.660 1.770 1.760 18 0.670 1.742 1.646 19 0.684 1.700 1.499 20 0.687 1.689 1.463 21 0.725 1.582 1.181 22 0.737 1.548 1.108 23 0.770 1.459 0.944 24 0.784 1.424 0.888 25 0.787 1.416 0.876 26 0.794 1.398 0.849 27 0.825 1.322 0.745 28 0.829 1.311 0.730 29 0.881 1.193 0.597 30 0.936 1.077 0.487 31 0.962 1.024 0.444 32 0.973 1.003 0.427 0.162803e+27 26.211662 60.354583 0.144731e+11 10.160561 23.395556 0.200000e+01 0.301030 0.693147 0.394168e+09 8.595681 19.792288 0.142689e+08 7.154390 16.473592 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 4.3632 2.6264 -4.7326 6.9522 -144.2201 -155.0944 -180.0657 -0.3674 0.3441 -11.3878 15.5733 4.6990 -20.2723 -0.3674 0.3441 -11.3878 141.4605 51.4483 79.8220 72.0318 45.6401 -23.3507 9.2070 27.3698 10.9841 -8.6593 -6547.7540 -3334.6230 -1970.8703 179.6923 185.0760 -22.2947 -76.7382 127.8286 45.9621 -1604.1748 -1600.9428 -929.4183 -96.0928 -42.0359 29.2243 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 2-A -1386.8940355 0.762293 0. 0.750083 2.653E-9 2.103E-6 0.319237 0.3417445 -1386.552291 -1386.5513468 -1386.6317845 8.5494829,0.1562918,-8.7057747,-5.8113762,4.7583487,11.2990011 C01 [X(C20H15B1I1N4O1)] -0.8986811 1.1864242 2.2948007 1.5378545 -0.1114622 0.4453514 -0.1344155 1.14542 0.1829176 0.4695784 0.2651965 0.4702398 -0.7484966 0.0844622 -0.1072925 0.1194358 -1.1143567 -0.1451069 -0.0759292 -0.1826283 -0.4079867 0.5112492 -0.0099238 -0.1138664 0.0142464 0.5969048 -0.0414509 -0.1334232 -0.0365772 0.6768888 -0.6711724 0.1399381 -0.1761377 -0.1995632 -0.3749942 -0.0377281 -0.2533244 0.0063319 -0.0907932 -0.5677063 -0.1171124 -0.3013098 0.1210497 -0.3715697 0.0702214 -0.2442155 -0.0916967 -0.1684173 -0.0126757 -0.0811113 0.1717667 -0.144462 0.1651569 -0.1413809 0.1366898 -0.0926024 0.0706285 0.2118008 0.1331357 -0.0639141 0.2382569 0.1909096 -0.0239174 -0.0359153 -0.0270145 -0.1173338 0.2448326 0.0668302 0.1653989 -0.1078384 0.1117227 -0.018573 0.0966798 0.0861172 0.09797 -0.0920642 -0.0990421 -0.0240677 -0.2521779 -0.2827103 -0.1931792 -0.0892885 -0.0759171 -0.1944767 0.2328743 -0.1041075 0.1188569 0.1722174 0.3334722 0.1866572 0.1280153 -0.0161681 0.1575342 -0.5447241 0.2063017 -0.1650412 0.1562262 -0.5374216 -0.0435157 -0.1146857 -0.0139511 -0.4308032 0.1113602 -0.0019054 -0.0020413 0.0288482 0.0227729 -0.0007079 0.0186803 -0.0400562 0.1088923 -0.0194675 0.0495644 -0.0732748 0.0477115 0.0446067 0.017164 -0.0496729 0.0122602 0.0988116 -0.0295702 -0.0314014 -0.0833633 -0.0682596 0.0362555 -0.0582061 -0.0763289 -0.021546 0.0300909 0.3515026 0.1009884 0.0757095 -0.2546815 0.3547457 -0.0050586 0.0219096 0.070435 0.0609453 -0.2542861 0.1416358 0.0215982 0.3526574 -0.2673623 0.0746784 0.0470755 0.0076478 -0.099623 0.3711987 -0.0992778 0.0673383 0.1078959 0.1378577 0.0483293 0.1323835 0.0022428 0.0164719 -0.6811209 -0.1632674 -0.0335254 -0.0842141 -0.5660017 -0.1264808 -0.0668011 -0.136946 -0.3130387 0.1412506 0.0400283 0.0194677 -0.0126821 0.0167769 -0.0127107 -0.0049223 -0.0042565 0.0948763 -0.0932441 0.033097 -0.0335264 0.0864966 0.0446574 0.0105588 -0.0294189 0.0006599 0.0814107 -0.0331267 -0.0549446 -0.0496098 -0.0607921 0.0439762 -0.0296861 -0.0517666 -0.0263491 0.1013607 0.2829912 -0.0656788 0.0097661 -0.075785 0.0389669 0.1581683 -0.0073417 0.1724596 0.2446861 0.0513811 -0.0344301 0.0008125 0.1336443 0.0423644 0.0692382 0.1594125 0.0721284 -0.0378638 0.0841657 -0.0206731 0.1241865 -0.1313858 0.0400666 -0.030606 -0.036863 0.0766346 -0.0678243 0.0829647 0.0354777 -0.0113079 0.0257024 0.1000276 -0.0430683 -0.0161189 -0.0312802 0.1417181 0.0975314 -0.0042093 -0.0291925 0.0129451 0.097926 -0.0490052 -0.0256488 -0.0476903 0.1275637 -0.4766612 -0.0232079 -0.0566227 -0.1253886 -0.4101606 -0.1578731 -0.1867624 -0.1807274 -0.2809469 0.3432631 0.1684109 0.1075148 0.1018632 0.5949286 0.1764771 0.0993259 0.224643 0.3317423 -0.527957 0.1532021 -0.1551501 0.2014123 -0.4029452 -0.0328692 -0.0208004 -0.1010463 -0.2410617 0.4777975 -0.3131401 -0.0093631 -0.2303495 0.5880897 0.0566144 0.0021057 0.0291681 0.2240356 -0.450295 0.0121819 0.1593574 0.0178181 -0.4856865 0.1323453 0.1922566 0.1062069 -0.6516501 0.006596 -0.0129278 0.0534971 -0.0231339 0.1269243 0.026677 0.0942095 -0.0130342 -0.1115833 -0.0181267 -0.0821834 0.0621961 -0.0881717 -0.0763264 -0.0466745 0.0781894 -0.0560367 -0.1117529 0.0689073 0.0259397 0.0637497 0.0120699 0.0538614 0.0289506 0.1370377 0.0200222 -0.0821073 -0.2179726 0.0494451 0.0164968 0.0756587 -0.0286591 -0.0179524 -0.0287465 0.0406766 -0.0641285 0.0919524 -0.1077576 -0.0439762 -0.1355278 0.0695934 0.0628368 0.0363181 -0.0184322 -0.0990425 -0.0943057 0.122386 0.0831212 0.0900923 -0.0906996 0.0165639 0.0110215 0.016883 -0.0583136 0.0719496 0.0028816 -0.0158546 0.0133294 -0.0832764 -0.0246301 -0.0325465 0.006497 0.1071006 -0.0169908 0.0650309 -0.0553312 0.0730842 0.023631 0.0187544 -0.0839385 0.0378045 0.0936728 -0.0177002 -0.0476494 -0.0554906 -0.0449937 0.0259288 -0.0304387 -0.1022102 -0.0313891 0.0734096 0.1499834 0.0051357 -0.0368605 0.0120905 -0.0253978 -0.0111356 -0.0242959 -0.0243037 0.0983969 0.044257 -0.0506601 -0.0700659 -0.0409299 0.0700241 -0.0151975 -0.0699243 0.015634 0.1203008 308.966499|-22.5193761|292.0730681|34.9855048|26.0491135|199.0941614 -0.000002183 -0.000004143 -0.000000117 0.000001421 0.000001713 -0.000000554 -0.000000023 -0.000002514 0.000000554 0.000001806 -0.000001445 -0.000001125 -0.000001423 0.000003438 -0.000002779 0.000002504 0.000002747 0.000004168 -0.000000899 -0.000001315 -0.000000734 0.000002521 -0.000001472 0.000001385 -0.000001095 0.000001828 -0.000001261 0.000002444 -0.000001682 0.000001304 -0.000001069 -0.000001687 -0.000002106 0.000000335 0.000000384 -0.000001542 -0.000000134 0.000000531 0.000000287 -0.000000524 0.000000080 0.000000143 0.000000450 -0.000000975 -0.000000175 -0.000000262 -0.000001011 -0.000000768 0.000000241 0.000000345 -0.000000879 0.000000494 -0.000001844 -0.000000112 0.000000461 -0.000000556 -0.000000809 -0.000000071 -0.000001221 -0.000000303 0.000000846 -0.000001086 -0.000000781 0.000002072 -0.000001156 -0.000000224 0.000000527 -0.000003989 -0.000001477 -0.000001773 0.000001776 0.000005395 -0.000000354 0.000000211 0.000000875 -0.000001343 -0.000001505 0.000001159 -0.000000962 0.000000931 0.000001134 0.000000853 -0.000001366 0.000001465 -0.000013205 0.000002601 -0.000004024 0.000004660 -0.000002675 0.000002298 -0.000001894 0.000001588 -0.000000475 -0.000000895 0.000002584 0.000000003 0.000001819 0.000002988 0.000000724 0.000000822 -0.000001344 -0.000000202 -0.000002250 0.000004282 -0.000001428 0.000003386 0.000002265 0.000002762 -0.000000606 -0.000002295 -0.000000748 0.000002521 0.000000931 -0.000000328 0.000000394 0.000001033 -0.000000149 -0.000000150 0.000001648 0.000000554 -0.000000224 -0.000000861 0.000000147 0.000000762 0.000002240 -0.000001258 449.9556699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,31,11,18,27,29,2;33,32,34,37,35,36/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(17,18)(19,20);(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.4,17.2,18.2,21.1;1.3,2.3,3.3,4.3,5.3,6.2/rA:42nC3O1B4C3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHIC3C3C3C3C2C3HHHHH/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s23;s27;s22s24;s29;s3;;s32;s33;s34;s35;s32s36;s32;s33;s34;s35;s37;/rC:-.5067,-1.9362,.3186;-.3414,-3.1062,.0336;-.7129,1.0427,.5367;-1.8063,-1.2558,.0135;.5501,-1.1718,1.0509;.4772,.2206,1.2186;-1.9753,.13,.1762;1.6343,-1.8741,1.5829;2.603,-1.1752,2.2864;2.4361,.2008,2.4435;1.4135,.8807,1.933;1.6955,-2.9524,1.4244;3.4739,-1.6774,2.7092;3.1696,.7806,3.0145;-4.2069,-.0463,-.3969;-4.1086,-1.4172,-.6379;-2.8844,-2.0329,-.4161;-3.1822,.7061,-.0062;-2.7381,-3.1059,-.5589;-5.1664,.4662,-.5265;-4.9795,-1.9818,-.9742;-1.1048,2.3527,1.3514;-2.2367,4.099,2.1361;-.978,4.1448,2.662;-3.0834,4.7643,2.27;-.5215,4.8578,3.3409;-2.2835,2.9814,1.336;-3.0437,2.5461,.79;-.3071,3.0537,2.1618;.6399,2.676,2.33;.081,1.8479,-1.4918;3.5386,-2.8757,-1.219;4.6173,-2.2155,-.6259;4.6226,-.8234,-.5145;3.5421,-.0736,-.9976;2.5097,-.7755,-1.5809;2.4504,-2.1458,-1.7154;3.5379,-3.9662,-1.2955;5.4625,-2.7932,-.2448;5.4692,-.3153,-.0448;3.5149,1.015,-.9059;1.5929,-2.6521,-2.1644; Gaussian 16 25-Sep-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 120 C1[X(C20H15BIN4O)] UwB97XD def2TZVPP SP #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 449.9556699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,31,11,18,27,29,2;33,32,34,37,35,36/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(17,18)(19,20);(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.4,17.2,18.2,21.1;1.3,2.3,3.3,4.3,5.3,6.2/rA:42nC3O1B4C3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHIC3C3C3C3C2C3HHHHH/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s23;s27;s22s24;s29;s3;;s32;s33;s34;s35;s32s36;s32;s33;s34;s35;s37;/rC:-.5068,-1.9362,.3186;-.3414,-3.1062,.0336;-.7129,1.0427,.5367;-1.8063,-1.2558,.0135;.5501,-1.1718,1.0509;.4772,.2206,1.2186;-1.9753,.13,.1762;1.6343,-1.8741,1.5829;2.603,-1.1752,2.2864;2.4361,.2008,2.4435;1.4135,.8807,1.933;1.6955,-2.9524,1.4244;3.4739,-1.6774,2.7092;3.1696,.7806,3.0145;-4.2069,-.0463,-.3969;-4.1086,-1.4172,-.6379;-2.8844,-2.0329,-.4161;-3.1822,.7061,-.0062;-2.7381,-3.1059,-.5589;-5.1664,.4662,-.5265;-4.9795,-1.9818,-.9742;-1.1048,2.3527,1.3514;-2.2367,4.099,2.1361;-.978,4.1448,2.662;-3.0834,4.7643,2.27;-.5215,4.8578,3.3409;-2.2835,2.9814,1.336;-3.0437,2.5461,.79;-.3071,3.0537,2.1618;.6399,2.676,2.33;.081,1.8478,-1.4918;3.5386,-2.8757,-1.219;4.6173,-2.2155,-.6259;4.6226,-.8234,-.5145;3.5421,-.0736,-.9976;2.5097,-.7755,-1.5809;2.4504,-2.1458,-1.7154;3.5379,-3.9662,-1.2955;5.4625,-2.7932,-.2448;5.4692,-.3153,-.0448;3.5149,1.015,-.9059;1.5929,-2.6521,-2.1644; chk=18_p_PhI.chk Mem=12000MB NProc=12 #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput 1/29=7,38=1,172=1/1 2/12=2,40=1/2 3/5=44,7=202,11=2,14=-4,24=110,25=1,30=1,74=-58,116=-2/1,2,3 4/5=1/1 5/5=2,8=3,13=1,38=6/2,8 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 coments Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 12 16 11 12 12 12 12 12 12 12 14 1 1 1 12 12 12 14 1 1 1 12 12 12 1 1 14 1 14 1 127 12 12 12 12 12 12 1 1 1 1 1 12.0000000 15.9949146 11.0093053 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 14.0030740 1.0078250 14.0030740 1.0078250 126.9004000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 3 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 1 1 1 0 0 0 1 1 2 1 2 1 5 0 0 0 0 0 0 1 1 1 1 1 3.6000000 5.6000000 2.7500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 4.5500000 1.0000000 4.5500000 1.0000000 5830.0000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l101.exe) Structure from the checkpoint file: "18_p_PhI.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 1220 A 1066 A 1066 1690 1220 101 100 2671.4646565507 42 42 42 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 -0.0401114350 0.000000 1.215526 0.000000 2.994037 4.195844 0.000000 1.498286 2.360203 2.598543 0.000000 1.495895 2.360501 2.600668 2.576023 0.000000 2.535775 3.625241 1.599035 2.974236 1.404354 0.000000 2.538912 3.628095 1.599008 1.405462 2.972773 2.666331 0.000000 2.487238 2.796764 3.887311 3.831797 1.397004 2.420620 4.361646 0.000000 3.757964 4.180183 4.356073 4.961302 2.396008 2.758209 5.207429 1.386324 0.000000 4.212201 4.945589 3.776286 5.101397 2.716651 2.310447 4.960441 2.385116 1.394949 0.000000 3.772147 4.752216 2.548959 4.314641 2.395061 1.350137 3.890234 2.785739 2.401368 1.329873 0.000000 2.665578 2.471227 4.748574 4.139031 2.149872 3.405095 4.953146 1.091611 2.173752 3.395555 3.876989 0.000000 4.650558 4.874119 5.444959 5.943472 3.399127 3.847707 6.275064 2.165982 1.090611 2.162267 3.375176 2.537524 0.000000 5.307039 6.026638 4.613193 6.157284 3.811696 3.284523 5.911792 3.384360 2.162406 1.095536 2.064844 4.316986 2.495477 0.000000 4.216010 4.948796 3.777049 2.719224 5.098242 4.962010 2.310768 6.432693 7.406043 7.228996 6.154414 6.826470 8.444113 8.169115 0.000000 3.762659 4.182805 4.354511 2.398135 4.961447 5.211334 2.758138 6.174238 7.325020 7.412542 6.510243 6.348043 8.292472 8.434586 1.395292 0.000000 2.490399 2.796603 3.883648 1.396684 3.832661 4.364670 2.419753 4.943599 6.176613 6.440029 5.699040 5.020758 7.093752 7.505670 2.386610 1.388208 0.000000 3.774267 4.754512 2.550594 2.396310 4.309725 3.889264 1.349704 5.690379 6.501031 6.149881 4.991095 6.262792 7.573475 7.033858 1.329998 2.401127 2.785441 0.000000 2.667733 2.468849 4.744742 2.149108 4.140582 4.956072 3.404808 5.022150 6.352219 6.835242 6.272002 4.859395 7.163077 7.923017 3.397678 2.176293 1.092246 3.877295 0.000000 5.310174 6.029652 4.614809 3.814063 6.152187 5.912266 3.284782 7.495001 8.424353 8.166300 7.036710 7.910632 9.472005 9.062322 1.095484 2.162959 3.386060 2.065259 4.319411 0.000000 4.656017 4.877692 5.443741 3.401723 5.944194 6.279610 3.848099 7.091666 8.293138 8.451907 7.583900 7.158952 9.226017 9.484064 2.162392 1.091004 2.168773 3.375171 2.541618 2.495603 0.000000 4.451859 5.667380 1.591599 3.911901 3.905207 2.658142 2.660702 5.041953 5.202641 4.284946 2.974296 5.999205 6.248943 4.848472 4.293613 5.214578 5.052148 2.978241 6.009354 4.856092 6.261703 0.000000 6.536028 7.741308 3.771023 5.776151 6.060078 4.821641 4.434250 7.139145 7.159716 6.093007 4.870508 8.104946 8.142817 6.404002 5.242280 6.451865 6.673300 4.122517 7.708670 5.372993 7.360155 2.224091 0.000000 6.534018 7.739020 3.769664 6.071859 5.761708 4.427245 4.826314 6.649498 6.423951 5.221022 4.111570 7.684405 7.329401 5.352124 6.111382 7.185113 7.160557 4.878830 8.126788 6.421922 8.171230 2.223912 1.364908 0.000000 7.439400 8.629380 4.740670 6.554738 7.065815 5.867540 5.204748 8.172913 8.222686 7.163796 5.951250 9.115942 9.202517 7.451452 5.614049 6.907807 7.311446 4.654087 8.370283 5.534707 7.722037 3.251906 1.085133 2.229335 0.000000 7.435929 8.625329 4.738614 7.077970 6.538167 5.196580 5.872059 7.283910 6.875348 5.589236 4.641424 8.341848 7.685721 5.509454 7.183584 8.250619 8.196307 5.959775 9.140061 7.471082 9.234319 3.251752 2.229180 1.085138 2.778261 0.000000 5.326824 6.521312 2.619952 4.464347 5.035813 3.905991 3.093678 6.243822 6.485219 5.588601 4.293801 7.144924 7.532428 6.115322 3.983687 5.155047 5.345473 2.790387 6.391541 4.255099 6.102312 1.336011 1.375246 2.194593 2.165886 3.262670 0.000000 5.172067 6.310663 2.785213 4.072949 5.177523 4.241268 2.712254 6.484646 6.926252 6.185699 4.893540 7.286742 8.000063 6.831621 3.079417 4.345181 4.737911 2.009735 5.818763 3.250353 5.230817 2.027845 2.207819 3.213634 2.666890 4.267581 1.032232 0.000000 5.323192 6.517285 2.617108 5.043204 4.452326 3.087196 3.908123 5.327916 5.134911 3.967771 2.781071 6.373923 6.081011 4.240480 5.600478 6.502127 6.257859 4.298518 7.159000 6.126487 7.551205 1.335806 2.194667 1.375153 3.262770 2.165885 2.143168 3.102957 0.000000 5.160709 6.298441 2.777257 5.177689 4.055751 2.700060 4.237946 4.716957 4.322819 3.060296 1.994690 5.797639 5.208360 3.234258 6.191807 6.936147 6.491128 4.893509 7.292852 6.837764 8.011818 2.026338 3.215169 2.210327 4.269382 2.670399 3.102822 3.994683 1.033344 0.000000 4.235847 5.200806 2.322415 3.931968 3.975401 3.186115 3.156210 5.071445 5.456591 4.872965 3.800081 5.844062 6.448867 5.566473 4.813832 5.379804 5.001078 3.762826 5.775547 5.511421 6.367289 3.121654 4.858109 4.863380 5.715837 5.725199 3.856484 3.931744 3.866966 3.950244 0.000000 4.428534 4.083697 6.042517 5.719383 4.121541 4.990176 6.433036 3.532790 4.006887 4.908594 5.344392 3.223377 4.107403 5.605974 8.287015 7.806757 6.527620 7.711621 6.315546 9.350155 8.568393 7.450098 9.656975 9.206018 10.695536 9.853108 8.644705 8.761304 7.834338 7.198533 5.860193 0.000000 5.217800 5.080985 6.354353 6.526228 4.521340 5.145598 7.043157 3.727403 3.690637 4.474014 5.137977 3.644565 3.566421 4.931957 9.089748 8.762319 7.506768 8.351668 7.409352 10.144996 9.605898 7.584133 9.719945 9.086868 10.789054 9.600657 8.858717 9.130653 7.732028 6.962941 6.151292 1.396826 0.000000 5.314389 5.491176 5.749310 6.465001 4.376860 4.612833 6.702086 3.799105 3.470938 3.818260 4.380956 4.106022 3.527155 4.139725 8.864415 8.752248 7.604412 7.969427 7.706595 9.873565 9.682621 6.809648 8.849000 8.132667 9.917550 8.579082 8.099051 8.475152 6.818775 6.016479 5.358818 2.425583 1.396579 0.000000 4.647003 5.034017 4.658853 5.569978 3.788679 3.793659 5.644502 3.679732 3.588858 3.624822 3.745708 4.190792 4.039427 4.118877 7.772277 7.776079 6.743583 6.841491 6.987665 8.737876 8.732606 5.744355 7.786183 7.184677 8.830608 7.723567 6.979687 7.309704 5.880278 5.201487 3.989414 2.810829 2.425244 1.401100 0.000000 3.748891 4.020875 4.263226 4.626034 3.305055 3.600095 4.901222 3.461660 3.889051 4.141772 4.036414 3.799114 4.488680 4.896391 6.858999 6.715845 5.659800 6.088639 5.832167 7.846995 7.609894 5.607837 7.752709 7.374033 8.763647 8.071287 6.752557 6.891665 6.050154 5.541085 3.576076 2.366584 2.725380 2.367305 1.377958 0.000000 3.595234 3.431541 5.024416 4.679797 3.494583 4.254615 5.323878 3.408616 4.120641 4.775210 4.852404 3.328418 4.565490 5.608231 7.103930 6.686751 5.491871 6.540642 5.401849 8.139500 7.468574 6.502314 8.706283 8.395686 9.708528 9.134949 7.616330 7.647011 7.047706 6.549178 4.648982 1.401241 2.426340 2.812346 2.449626 1.378116 0.000000 4.804716 4.189857 6.820211 6.133526 4.716074 5.763536 7.024214 4.035619 4.636178 5.705963 6.199144 3.438014 4.613072 6.422109 8.726669 8.086980 6.764352 8.285619 6.377392 9.798070 8.751403 8.275764 10.496115 10.091800 11.522853 10.762751 9.438344 9.490939 8.718669 8.103122 6.766951 1.093131 2.162941 3.415226 3.903930 3.364390 2.161667 0.000000 6.056694 5.818962 7.311635 7.434060 5.332841 6.006514 8.002656 4.340579 4.147490 5.034878 5.885174 4.123268 3.731694 5.352765 10.053130 9.677487 8.383144 9.329073 8.212544 11.120960 10.498804 8.494496 10.604142 9.902835 11.682129 10.353849 9.790045 10.096300 8.559533 7.732943 7.214909 2.158013 1.092408 2.158319 3.413322 3.817786 3.413843 2.486735 0.000000 6.202562 6.446609 6.356127 7.336260 5.111915 5.177262 7.461069 4.448178 3.793298 3.956966 4.668113 4.832547 3.663494 3.980992 9.686255 9.659218 8.536406 8.711528 8.683984 10.675127 10.621488 7.230785 9.144539 8.293746 10.213091 8.608800 8.536915 9.019695 7.041623 6.157039 5.983795 3.414932 2.162020 1.093389 2.163338 3.366061 3.905719 4.315479 2.486013 0.000000 5.136437 5.721742 4.467233 5.858064 4.171456 3.791110 5.665381 4.251791 3.977311 3.611746 3.534619 4.947742 4.507691 3.942506 7.811037 8.006593 7.104959 6.764301 7.496812 8.706905 9.007788 5.312821 7.200392 6.535482 8.226873 7.006744 6.520310 6.945267 5.307967 4.636295 3.581753 3.903363 3.424846 2.181679 1.092812 2.161508 3.432033 4.996431 4.328085 2.515985 0.000000 3.329592 2.962890 5.124890 4.271691 3.690130 4.576270 5.094127 3.827468 4.797041 5.484781 5.413159 3.602760 5.314161 6.410178 6.599370 6.030129 4.846206 6.223843 4.641235 7.621977 6.712824 6.684753 8.873393 8.723690 9.825237 9.548673 7.682164 7.566305 7.408219 7.035341 4.794567 2.174805 3.421201 3.904588 3.436483 2.168558 1.092423 2.502958 4.321872 4.997950 4.327342 0.000000 C20H15BIN4O(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 449.9556699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,31,11,18,27,29,2;33,32,34,37,35,36/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(17,18)(19,20);(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.4,17.2,18.2,21.1;1.3,2.3,3.3,4.3,5.3,6.2/rA:42nC3O1B4C3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHIC3C3C3C3C2C3HHHHH/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s23;s27;s22s24;s29;s3;;s32;s33;s34;s35;s32s36;s32;s33;s34;s35;s37;/rC:-.7183,-2.0447,-.9774;-1.5507,-2.9268,-1.0578;1.1558,.1835,-.2795;.6817,-2.3576,-.5451;-1.0487,-.6435,-1.3839;-.1826,.4298,-1.119;1.6216,-1.3462,-.2824;-2.2541,-.4082,-2.0496;-2.5535,.8838,-2.4534;-1.6216,1.8874,-2.1882;-.4759,1.6764,-1.5468;-2.9326,-1.2446,-2.2273;-3.4876,1.1191,-2.9648;-1.8145,2.9151,-2.5149;3.2623,-2.9294,.0933;2.3777,-3.992,-.0941;1.0639,-3.6961,-.4312;2.9043,-1.6514,.006;.3213,-4.475,-.6179;4.3149,-3.1258,.3246;2.7235,-5.0218,.0071;2.3247,1.1903,-.671;4.3381,2.0966,-.938;3.4105,3.0051,-1.3589;5.4211,2.1561,-.9042;3.5332,4.0054,-1.7613;3.6371,.9884,-.5237;3.9366,.0631,-.1778;2.1807,2.415,-1.1845;1.2195,2.7186,-1.4118;.6819,.6925,1.9363;-4.7565,-.8611,.4027;-5.1824,.4337,.0975;-4.3881,1.5363,.4199;-3.1522,1.3531,1.0539;-2.786,.0558,1.3393;-3.5272,-1.0676,1.0428;-5.38,-1.7197,.1401;-6.1438,.5846,-.3988;-4.7275,2.546,.1733;-2.5049,2.1985,1.3;-3.1751,-2.0765,1.2697; 0.2198355 0.1383386 0.1216507 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. Defaulting to unpruned grid for atomic number 53. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1202 1202 1202 1202 1202 MxSgAt= 42 MxSgA2= 42. 1 open 1 1 1 -1387.51120100868 -1387.78195645411 -0.270755445425 -1388.06124457577 -0.279288121656 -1388.06156856220 -0.000323986437 -1388.06161797783 -0.000049415624 -1388.06162877134 -0.000010793510 -1388.06163000310 -0.000001231762 -1388.06163027402 -0.000000270920 -1388.06163035119 -0.000000077167 -1388.06163039038 -0.000000039193 -1388.06163041534 -0.000000024958 -1388.06163043239 -0.000000017056 -1388.06163043922 -0.000000006828 -1388.06163044007 -0.000000000845 -1388.06163044029 -0.000000000224 -1388.06163044 15 0.7617 1.198096561663e+03 -8.511893372071e+03 3.254310634852e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1569861348 LenY= 1568371728 Requested convergence on RMS density matrix=1.00D-08 within 32 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. 0.7617 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 C O B C C C C C C C N H H H C C C N H H H C C C H H N H N H I C C C C C C H H H H H 13 17 11 13 13 13 13 13 13 13 14 1 1 1 13 13 13 14 1 1 1 13 13 13 1 1 14 1 14 1 127 13 13 13 13 13 13 1 1 1 1 1 0.00017 -0.00016 -0.00036 -0.00004 0.00048 0.00005 0.00002 0.00001 -0.00016 0.00011 -0.00021 -0.00003 0.00002 -0.00003 0.00001 -0.00001 0.00001 0.00009 -0.00000 -0.00000 0.00000 0.00082 -0.00001 0.00003 0.00000 -0.00000 0.00002 -0.00000 -0.00000 -0.00000 0.00004 0.04507 -0.00598 0.04201 0.00843 0.36756 0.01308 0.00279 0.00111 0.00278 0.00988 0.01030 0.18696 0.09955 -0.51050 -0.04119 0.53914 0.06033 0.02637 0.00665 -0.17869 0.12578 -0.06758 -0.12867 0.08243 -0.11207 0.01531 -0.00787 0.00792 0.02966 -0.00371 -0.00259 0.01031 0.92242 -0.00803 0.03685 0.00549 -0.00974 0.00538 -0.01732 -0.00100 -0.00341 0.03597 50.66640 -6.71752 47.22878 9.47454 413.20536 14.70647 12.48825 4.95297 12.41296 44.18114 46.03157 0.06671 0.03552 -0.18216 -0.01470 0.19238 0.02153 0.00941 0.00237 -0.06376 0.04488 -0.02411 -0.04591 0.02941 -0.03999 0.00546 -0.00281 0.00283 0.01058 -0.00132 -0.00092 0.00368 0.32914 -0.00287 0.01315 0.00196 -0.00347 0.00192 -0.00618 -0.00036 -0.00122 0.01284 18.07903 -2.39698 16.85240 3.38075 147.44195 5.24763 4.45612 1.76734 4.42925 15.76493 16.42521 0.06236 0.03321 -0.17028 -0.01374 0.17984 0.02012 0.00880 0.00222 -0.05960 0.04195 -0.02254 -0.04292 0.02750 -0.03738 0.00511 -0.00262 0.00264 0.00989 -0.00124 -0.00086 0.00344 0.30769 -0.00268 0.01229 0.00183 -0.00325 0.00179 -0.00578 -0.00033 -0.00114 0.01200 16.90049 -2.24072 15.75382 3.16037 137.83047 4.90555 4.16563 1.65213 4.14052 14.73724 15.35448 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 -0.000989 -0.001164 0.002863 0.000770 -0.001724 0.001974 0.001583 -0.002939 -0.001614 -0.002057 -0.000182 -0.001984 -0.001317 -0.001060 0.000562 0.000391 0.000168 0.001199 -0.000204 0.000453 0.000165 0.001243 0.000572 0.000274 0.000382 0.000180 0.000439 0.000907 0.000445 0.000266 0.017860 0.038455 0.016338 0.033412 -0.003573 0.675780 0.029777 0.001964 0.000569 -0.001847 -0.011150 -0.008179 -0.000162 0.001855 -0.002009 -0.000092 -0.003138 -0.004466 -0.001046 -0.003758 -0.001075 -0.001584 -0.000042 -0.001605 -0.001029 0.000025 -0.000175 0.000193 0.000329 -0.000269 0.000653 -0.000132 0.000153 -0.000845 -0.000261 -0.000220 -0.000208 -0.000058 -0.000895 -0.000543 -0.000375 -0.000246 -0.007907 -0.045757 0.021477 -0.040872 0.079925 -0.539258 0.044383 0.001950 0.001503 0.005731 0.022907 0.020102 0.001150 -0.000691 -0.000854 -0.000678 0.004862 0.002492 -0.000537 0.006697 0.002689 0.003641 0.000224 0.003589 0.002347 0.001035 -0.000387 -0.000584 -0.000497 -0.000930 -0.000448 -0.000321 -0.000318 -0.000398 -0.000310 -0.000053 -0.000175 -0.000121 0.000455 -0.000364 -0.000070 -0.000020 -0.009954 0.007302 -0.037816 0.007460 -0.076352 -0.136522 -0.074161 -0.003914 -0.002072 -0.003884 -0.011757 -0.011923 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 -0.002160 -0.000478 0.000430 -0.001731 -0.000812 0.000724 -0.001083 -0.000225 0.000076 0.000200 0.001542 0.000350 -0.000159 0.000231 -0.000606 -0.000710 -0.001086 -0.000542 -0.000855 -0.000401 -0.000500 0.000824 0.000288 0.000437 0.000180 0.000347 0.000186 -0.000078 0.000699 0.000835 0.007909 -0.008270 0.000411 -0.016841 -0.043769 -0.191031 0.059664 0.006728 0.000095 -0.005435 -0.000481 0.010043 -0.002565 0.000290 -0.002164 -0.001436 -0.003535 -0.006117 -0.001482 -0.001878 0.000548 -0.001996 -0.000748 0.000352 0.000699 -0.000463 -0.000305 -0.000230 -0.000592 -0.000500 -0.000413 -0.000151 -0.000149 -0.001174 -0.000368 -0.000389 -0.000226 -0.000289 -0.000710 -0.000515 -0.000711 -0.000928 0.000021 0.021714 0.037080 0.018137 0.057299 0.550971 0.071284 0.003309 0.001869 0.002090 0.000365 0.001451 0.003098 0.001932 -0.000115 0.001265 0.002095 -0.000667 0.000752 0.001516 -0.001588 -0.001489 -0.002597 0.002018 -0.000814 -0.001577 0.000163 0.000262 0.000645 0.000261 0.000684 0.000086 0.000160 -0.000407 -0.000212 -0.000143 -0.000067 -0.000218 0.000269 0.000044 -0.000396 -0.000785 -0.000054 -0.001384 -0.005298 -0.005497 -0.039170 -0.084725 0.022465 0.002927 -0.000278 -0.003578 -0.003335 0.003618 0.7779 0.6282 0.0126 0.4239 -0.5395 0.7275 -0.4638 0.5606 0.686 -0.0028 -0.0026 0.0054 -0.372 -0.355 0.727 -0.133 -0.127 0.259 -0.124 -0.118 0.242 1 C 13 -0.5017 -0.4355 0.7474 0.8622 -0.1817 0.4729 -0.0702 0.8817 0.4666 -0.002 -9.0E-4 0.0029 0.146 0.065 -0.211 0.052 0.023 -0.075 0.049 0.022 -0.07 2 O 17 -0.1981 0.944 -0.2639 0.3725 0.3215 0.8706 0.9066 0.0742 -0.4153 -0.0021 -0.0018 0.0039 -0.354 -0.312 0.666 -0.126 -0.111 0.238 -0.118 -0.104 0.222 3 B 11 0.0904 -0.5567 0.8258 0.7126 0.6154 0.3368 0.6957 -0.558 -0.4523 -0.0017 -0.0014 0.0031 -0.226 -0.188 0.415 -0.081 -0.067 0.148 -0.076 -0.063 0.138 4 C 13 -0.1151 0.9525 -0.2819 0.9146 0.2124 0.3441 -0.3876 0.2182 0.8956 -0.0037 -0.0032 0.0069 -0.491 -0.435 0.926 -0.175 -0.155 0.33 -0.164 -0.145 0.309 5 C 13 -0.1193 0.9928 -0.0095 0.7137 0.0924 0.6944 -0.6903 -0.076 0.7196 -0.0045 -0.0039 0.0084 -0.61 -0.521 1.131 -0.218 -0.186 0.404 -0.203 -0.174 0.377 6 C 13 0.016 0.8232 -0.5675 0.5496 0.4669 0.6928 0.8353 -0.323 -0.4449 -0.0016 -0.0012 0.0028 -0.213 -0.162 0.375 -0.076 -0.058 0.134 -0.071 -0.054 0.125 7 C 13 -0.0579 0.9869 -0.1504 0.9815 0.0838 0.1719 -0.1823 0.1377 0.9736 -0.004 -0.0033 0.0073 -0.534 -0.441 0.975 -0.19 -0.157 0.348 -0.178 -0.147 0.325 8 C 13 0.7083 -0.6371 -0.3039 0.6989 0.6933 0.1755 0.0989 -0.3367 0.9364 -0.0019 -0.0014 0.0033 -0.257 -0.188 0.445 -0.092 -0.067 0.159 -0.086 -0.063 0.149 9 C 13 0.8948 0.2836 0.3448 -0.3439 0.9304 0.127 -0.2848 -0.2322 0.93 -0.0028 -0.0019 0.0046 -0.371 -0.25 0.621 -0.132 -0.089 0.221 -0.124 -0.083 0.207 10 C 13 -0.2837 0.7507 0.5966 0.8656 -0.0672 0.4961 0.4126 0.6572 -0.6308 -0.0027 -7.0E-4 0.0034 -0.104 -0.028 0.132 -0.037 -0.01 0.047 -0.035 -0.009 0.044 11 N 14 -0.4757 0.8418 -0.2551 0.8768 0.4304 -0.2145 0.0708 0.3257 0.9428 -0.0024 -0.0019 0.0043 -1.288 -1.013 2.301 -0.46 -0.361 0.821 -0.43 -0.338 0.768 12 H 1 0.9842 0.0359 -0.1735 0.0036 0.975 0.2221 0.1772 -0.2192 0.9595 -0.0014 -0.0012 0.0027 -0.772 -0.649 1.42 -0.275 -0.231 0.507 -0.257 -0.216 0.474 13 H 1 0.7224 0.4879 0.49 0.6746 -0.6527 -0.3447 -0.1517 -0.5795 0.8007 -0.0012 -0.001 0.0023 -0.65 -0.558 1.208 -0.232 -0.199 0.431 -0.217 -0.186 0.403 14 H 1 0.516 0.8432 0.151 0.1336 -0.2533 0.9581 0.8461 -0.4743 -0.2434 -5.0E-4 -5.0E-4 0.001 -0.069 -0.063 0.133 -0.025 -0.023 0.047 -0.023 -0.021 0.044 15 C 13 0.0266 -0.2718 0.962 0.6781 0.712 0.1824 0.7345 -0.6475 -0.2032 -7.0E-4 -4.0E-4 0.0011 -0.089 -0.056 0.145 -0.032 -0.02 0.052 -0.03 -0.019 0.048 16 C 13 -0.0722 -0.529 0.8455 0.7722 0.5069 0.383 -0.6313 0.6806 0.3719 -8.0E-4 -8.0E-4 0.0017 -0.114 -0.112 0.226 -0.041 -0.04 0.081 -0.038 -0.038 0.076 17 C 13 0.1642 -0.2032 0.9653 0.349 0.9272 0.1359 0.9226 -0.3145 -0.2232 -0.0011 -4.0E-4 0.0015 -0.041 -0.017 0.058 -0.015 -0.006 0.021 -0.014 -0.006 0.019 18 N 14 0.0559 -0.4037 0.9132 0.8726 0.4643 0.1518 -0.4853 0.7883 0.3782 -8.0E-4 -7.0E-4 0.0015 -0.414 -0.39 0.804 -0.148 -0.139 0.287 -0.138 -0.13 0.268 19 H 1 -0.0426 -0.4259 0.9037 0.4768 0.7863 0.393 0.878 -0.4476 -0.1696 -4.0E-4 -3.0E-4 7.0E-4 -0.189 -0.177 0.366 -0.067 -0.063 0.131 -0.063 -0.059 0.122 20 H 1 -0.086 -0.3674 0.9261 0.7144 0.6251 0.3143 0.6944 -0.6886 -0.2088 -4.0E-4 -3.0E-4 7.0E-4 -0.197 -0.18 0.377 -0.07 -0.064 0.134 -0.066 -0.06 0.126 21 H 1 -0.3271 0.945 0.0017 0.4163 0.1425 0.898 0.8484 0.2944 -0.44 -0.0011 -0.001 0.0021 -0.152 -0.135 0.287 -0.054 -0.048 0.102 -0.051 -0.045 0.096 22 C 13 0.136 0.5459 0.8268 -0.4421 0.7802 -0.4424 0.8866 0.3054 -0.3474 -5.0E-4 -3.0E-4 8.0E-4 -0.069 -0.041 0.109 -0.024 -0.015 0.039 -0.023 -0.014 0.036 23 C 13 -0.5716 0.7812 -0.251 0.2525 0.4585 0.8521 0.7807 0.4236 -0.4593 -5.0E-4 -2.0E-4 7.0E-4 -0.066 -0.033 0.099 -0.024 -0.012 0.035 -0.022 -0.011 0.033 24 C 13 -0.0584 0.8547 0.5159 0.41 -0.4506 0.793 0.9102 0.2578 -0.3241 -3.0E-4 -3.0E-4 5.0E-4 -0.139 -0.135 0.274 -0.05 -0.048 0.098 -0.046 -0.045 0.091 25 H 1 -0.244 0.8014 0.5461 0.6429 -0.2879 0.7097 0.726 0.5243 -0.445 -3.0E-4 -3.0E-4 6.0E-4 -0.167 -0.157 0.324 -0.06 -0.056 0.116 -0.056 -0.052 0.108 26 H 1 -0.2564 0.9222 -0.2895 0.6689 0.3854 0.6356 -0.6977 0.0307 0.7157 -0.001 -1.0E-4 0.0012 -0.04 -0.005 0.045 -0.014 -0.002 0.016 -0.013 -0.002 0.015 27 N 14 -0.1986 0.7114 -0.6742 0.274 0.7007 0.6587 0.941 -0.0539 -0.334 -6.0E-4 -5.0E-4 0.0011 -0.3 -0.284 0.584 -0.107 -0.101 0.208 -0.1 -0.095 0.195 28 H 1 -0.5105 0.8593 -0.032 0.4202 0.2818 0.8626 0.7502 0.4269 -0.5049 -8.0E-4 -5.0E-4 0.0013 -0.03 -0.021 0.051 -0.011 -0.008 0.018 -0.01 -0.007 0.017 29 N 14 -0.1076 0.804 0.5848 0.7526 -0.3186 0.5763 0.6497 0.5021 -0.5708 -9.0E-4 -8.0E-4 0.0017 -0.495 -0.426 0.922 -0.177 -0.152 0.329 -0.165 -0.142 0.307 30 H 1 -0.2616 0.9259 0.2727 0.0739 -0.2625 0.9621 0.9623 0.2718 2.0E-4 -0.0102 -0.0099 0.0201 -1.092 -1.068 2.16 -0.39 -0.381 0.771 -0.364 -0.356 0.72 31 I 127 0.1006 0.9948 -0.015 -0.448 0.0587 0.8921 0.8883 -0.083 0.4516 -0.0466 -0.0037 0.0503 -6.25 -0.496 6.745 -2.23 -0.177 2.407 -2.085 -0.165 2.25 32 C 13 -0.4508 0.0625 0.8904 0.1588 0.9872 0.0111 0.8784 -0.1464 0.455 -0.057 0.0215 0.0355 -7.643 2.883 4.761 -2.727 1.029 1.699 -2.55 0.962 1.588 33 C 13 0.2038 0.9785 0.0323 -0.4349 0.0609 0.8984 0.8771 -0.1972 0.438 -0.0446 -0.0017 0.0463 -5.98 -0.227 6.207 -2.134 -0.081 2.215 -1.995 -0.076 2.07 34 C 13 -0.4505 0.08 0.8892 0.7723 0.5347 0.3431 -0.448 0.8412 -0.3027 -0.1089 -0.0084 0.1173 -14.614 -1.13 15.744 -5.215 -0.403 5.618 -4.875 -0.377 5.252 35 C 13 0.1514 0.9885 7.0E-4 -0.4408 0.0668 0.8951 0.8848 -0.1359 0.4458 -0.5686 -0.4142 0.9827 -76.299 -55.576 131.875 -27.225 -19.831 47.056 -25.45 -18.538 43.989 36 C 13 -0.4694 0.0529 0.8814 -0.5514 0.762 -0.3394 0.6896 0.6454 0.3286 -0.1108 -0.0088 0.1196 -14.866 -1.18 16.046 -5.304 -0.421 5.726 -4.959 -0.394 5.352 37 C 13 -0.4599 0.0684 0.8853 -0.5727 0.739 -0.3547 0.6786 0.6702 0.3007 -0.0054 -0.0047 0.0101 -2.885 -2.491 5.376 -1.029 -0.889 1.918 -0.962 -0.831 1.793 38 H 1 -0.4584 0.0635 0.8865 0.5907 0.767 0.2505 0.664 -0.6385 0.3891 -0.0031 0.0015 0.0016 -1.632 0.793 0.839 -0.582 0.283 0.299 -0.544 0.264 0.28 39 H 1 -0.4276 0.0821 0.9002 0.7861 0.5255 0.3255 -0.4464 0.8468 -0.2892 -0.0052 -0.0046 0.0098 -2.776 -2.462 5.238 -0.991 -0.879 1.869 -0.926 -0.821 1.747 40 H 1 -0.2981 0.0863 0.9506 0.9544 0.0425 0.2954 -0.0149 0.9954 -0.095 -0.0122 -0.0111 0.0232 -6.495 -5.9 12.396 -2.318 -2.105 4.423 -2.167 -1.968 4.135 41 H 1 PT40549.200S 2024-09-25T20:00:41.000 -19.23399 -14.51271 -14.51227 -14.44225 -14.43991 -10.37658 -10.36853 -10.35398 -10.35326 -10.33420 -10.33119 -10.31754 -10.31488 -10.31149 -10.30710 -10.30141 -10.30026 -10.29745 -10.29742 -10.29731 -10.28789 -10.28713 -10.28315 -10.28295 -10.28154 -6.90825 -6.83856 -4.92522 -4.91794 -4.91752 -1.95984 -1.95774 -1.95739 -1.95110 -1.95109 -1.17203 -1.14416 -1.05183 -1.04932 -1.03044 -0.95258 -0.91701 -0.90790 -0.89916 -0.88156 -0.85823 -0.84047 -0.83244 -0.77271 -0.76547 -0.75203 -0.74986 -0.73006 -0.72480 -0.70999 -0.69115 -0.68986 -0.67646 -0.65126 -0.62337 -0.61674 -0.59709 -0.59652 -0.58559 -0.57532 -0.57230 -0.56389 -0.56159 -0.55319 -0.55023 -0.52986 -0.52956 -0.52577 -0.51476 -0.50357 -0.50210 -0.49993 -0.49340 -0.48451 -0.48185 -0.47328 -0.46384 -0.45229 -0.44538 -0.42740 -0.42519 -0.42195 -0.40052 -0.37297 -0.36467 -0.35878 -0.35788 -0.34597 -0.33967 -0.33465 -0.32477 -0.32221 -0.32109 -0.31096 -0.29673 -0.28239 -0.01634 0.01024 0.03990 0.04788 0.05870 0.06209 0.06820 0.07281 0.10463 0.12033 0.12068 0.12510 0.12947 0.13895 0.14410 0.14824 0.15150 0.15799 0.16060 0.16789 0.16943 0.17593 0.18017 0.18272 0.18889 0.19846 0.20026 0.20782 0.20878 0.21471 0.21652 0.22727 0.23010 0.23068 0.23350 0.24233 0.24466 0.25210 0.25774 0.26147 0.26485 0.27084 0.27400 0.28092 0.28103 0.28633 0.28977 0.29494 0.29617 0.29951 0.30165 0.30409 0.30643 0.31001 0.31455 0.31503 0.31723 0.32020 0.32450 0.33028 0.33340 0.34089 0.34444 0.35038 0.35328 0.35527 0.35797 0.36480 0.36594 0.36734 0.37454 0.37957 0.38856 0.39076 0.39627 0.40074 0.40613 0.40723 0.41132 0.41753 0.42040 0.42405 0.43124 0.43296 0.43658 0.43840 0.43921 0.44291 0.44888 0.45243 0.45510 0.46051 0.46277 0.46687 0.47317 0.47647 0.47993 0.48272 0.48595 0.48884 0.49147 0.49283 0.49640 0.50238 0.50386 0.50779 0.51207 0.51407 0.51694 0.52092 0.52452 0.52988 0.53204 0.54049 0.54241 0.54598 0.55342 0.55359 0.55668 0.55799 0.55980 0.56697 0.57194 0.57255 0.57773 0.57956 0.58387 0.58615 0.59241 0.59747 0.60186 0.60532 0.60789 0.61757 0.62107 0.62928 0.63287 0.64186 0.64577 0.64759 0.65430 0.65516 0.65971 0.66711 0.67431 0.67727 0.68737 0.68953 0.69453 0.69973 0.70693 0.71177 0.71746 0.72174 0.72680 0.73043 0.73173 0.74068 0.74175 0.74337 0.75025 0.75340 0.75800 0.76055 0.76477 0.76697 0.76910 0.77498 0.77997 0.78577 0.78739 0.78962 0.79259 0.79554 0.80654 0.80919 0.81132 0.82190 0.82397 0.82897 0.83408 0.83544 0.83799 0.84313 0.85105 0.85520 0.85630 0.86533 0.87158 0.87266 0.88135 0.89247 0.89742 0.90384 0.90572 0.90904 0.91572 0.91684 0.92632 0.93209 0.93373 0.93856 0.95219 0.95330 0.95588 0.95990 0.96291 0.96639 0.97398 0.98073 0.98998 0.99163 0.99731 1.00520 1.00984 1.01785 1.02355 1.03050 1.03445 1.03817 1.04486 1.04927 1.05607 1.06342 1.06567 1.06826 1.08029 1.08524 1.09056 1.09526 1.09829 1.10061 1.11230 1.11386 1.11673 1.12722 1.12849 1.13068 1.13770 1.14497 1.14910 1.15313 1.16382 1.16633 1.17058 1.17739 1.18400 1.18504 1.18652 1.19244 1.19622 1.20166 1.20839 1.21026 1.21657 1.21739 1.22611 1.23485 1.23810 1.24289 1.24433 1.25171 1.25485 1.26314 1.27430 1.27858 1.28305 1.28836 1.30132 1.30407 1.30795 1.31335 1.31960 1.32777 1.33183 1.34277 1.34348 1.35042 1.35946 1.35949 1.36616 1.36849 1.37029 1.37659 1.38017 1.38432 1.39043 1.39569 1.39739 1.40352 1.40767 1.41029 1.41576 1.41959 1.42325 1.42586 1.43265 1.43758 1.44073 1.44550 1.44735 1.45075 1.45466 1.46387 1.47171 1.47642 1.48236 1.48396 1.48962 1.50058 1.50710 1.51582 1.51848 1.52848 1.53535 1.53711 1.54398 1.54493 1.55279 1.56220 1.56779 1.57042 1.57354 1.57905 1.58225 1.58628 1.59026 1.59306 1.60368 1.60693 1.61385 1.62575 1.63560 1.63711 1.65204 1.65654 1.66086 1.66254 1.67686 1.67769 1.68307 1.68584 1.69682 1.70123 1.70431 1.70672 1.71724 1.71890 1.72544 1.73192 1.73992 1.74430 1.74941 1.75076 1.75673 1.76284 1.76516 1.76886 1.77249 1.77869 1.78777 1.78907 1.79218 1.79893 1.80248 1.80917 1.81435 1.82063 1.82711 1.83520 1.83878 1.84966 1.85421 1.86609 1.87263 1.88466 1.88776 1.89619 1.89900 1.90057 1.90498 1.91107 1.91932 1.92524 1.92915 1.93567 1.94184 1.95710 1.96155 1.97238 1.97552 1.98197 1.98880 1.99855 2.00347 2.01267 2.01805 2.03914 2.04393 2.04852 2.05516 2.05864 2.06760 2.07829 2.09084 2.09679 2.10442 2.11133 2.11902 2.12841 2.14086 2.14248 2.14642 2.16570 2.17370 2.18330 2.19101 2.19631 2.21246 2.21598 2.22852 2.23649 2.23999 2.24407 2.27144 2.27960 2.28823 2.29782 2.31610 2.32689 2.33053 2.33498 2.34560 2.35157 2.37105 2.37698 2.38319 2.38918 2.40804 2.41309 2.41997 2.42578 2.42873 2.43372 2.44601 2.45464 2.46124 2.46363 2.47007 2.47342 2.47966 2.49282 2.49858 2.50119 2.50738 2.51896 2.53164 2.54028 2.55088 2.55593 2.57810 2.58633 2.59220 2.59892 2.60800 2.61169 2.62947 2.63925 2.65606 2.67451 2.68586 2.69373 2.69666 2.69695 2.71438 2.72741 2.74324 2.74946 2.75307 2.75820 2.76249 2.76507 2.77071 2.78630 2.78955 2.79202 2.79512 2.80044 2.80492 2.81469 2.82612 2.82742 2.83361 2.83789 2.84713 2.84921 2.85603 2.85713 2.86783 2.88562 2.88882 2.89853 2.90429 2.91413 2.91592 2.91942 2.92439 2.93601 2.94281 2.95141 2.95722 2.95867 2.96442 2.97962 2.99121 2.99254 3.00195 3.01212 3.01425 3.02156 3.02334 3.03616 3.03792 3.04021 3.04836 3.05482 3.05975 3.06246 3.06560 3.07154 3.07277 3.07870 3.08908 3.09421 3.09836 3.10204 3.11027 3.11869 3.12315 3.12728 3.12733 3.13660 3.13755 3.14105 3.14974 3.15587 3.15945 3.16010 3.16643 3.16774 3.17235 3.17927 3.18405 3.18526 3.19281 3.19726 3.20195 3.20362 3.20860 3.20983 3.21563 3.22020 3.22363 3.22812 3.22997 3.23349 3.24126 3.24558 3.24890 3.25649 3.26105 3.26337 3.26641 3.27061 3.27189 3.27920 3.28227 3.28800 3.29287 3.30102 3.30381 3.30793 3.31338 3.31453 3.32504 3.32747 3.33418 3.33546 3.34125 3.34984 3.35490 3.35799 3.36496 3.37074 3.37452 3.37757 3.38759 3.39193 3.40098 3.40528 3.40763 3.41288 3.41363 3.41958 3.42251 3.43344 3.43500 3.44430 3.45105 3.45772 3.46035 3.46379 3.46605 3.47469 3.47857 3.48105 3.48130 3.49140 3.49655 3.50415 3.50788 3.50903 3.51436 3.51890 3.52116 3.52817 3.53113 3.53399 3.53718 3.54507 3.54751 3.55957 3.56292 3.57686 3.57799 3.58174 3.58690 3.59427 3.59915 3.59982 3.60622 3.60875 3.61698 3.61951 3.62579 3.62968 3.63870 3.64363 3.64770 3.65669 3.66158 3.66686 3.67207 3.68459 3.68978 3.69694 3.70102 3.70601 3.71272 3.71408 3.71888 3.72626 3.72764 3.73597 3.73967 3.74870 3.75815 3.76723 3.77799 3.78282 3.80736 3.81549 3.81725 3.82032 3.82721 3.83350 3.84808 3.85123 3.85508 3.85750 3.85996 3.86300 3.86796 3.87004 3.87264 3.87425 3.88315 3.89745 3.90325 3.90584 3.91248 3.91714 3.92281 3.92895 3.93189 3.93386 3.93874 3.94164 3.94864 3.95697 3.96222 3.97059 3.97532 3.98407 3.99688 4.00630 4.00752 4.01031 4.01135 4.01645 4.02722 4.03474 4.04217 4.05287 4.05554 4.06635 4.07155 4.07976 4.09237 4.10165 4.11272 4.11908 4.12761 4.13226 4.13795 4.16237 4.16812 4.17545 4.18434 4.19135 4.19435 4.19961 4.21774 4.21889 4.22656 4.24096 4.24256 4.24944 4.25727 4.26547 4.26967 4.27988 4.29042 4.29438 4.29781 4.30780 4.31584 4.31886 4.32145 4.32865 4.33943 4.34342 4.35259 4.35518 4.36107 4.37271 4.37472 4.37897 4.38615 4.39669 4.39951 4.40846 4.40886 4.41790 4.41923 4.42619 4.43747 4.43984 4.44515 4.44945 4.45812 4.46582 4.47355 4.48100 4.49254 4.49881 4.50502 4.51178 4.52184 4.53750 4.54688 4.55540 4.56708 4.57396 4.57929 4.58167 4.60289 4.60904 4.63257 4.64046 4.64833 4.65524 4.66655 4.67103 4.68524 4.70114 4.70684 4.70951 4.71646 4.73987 4.74502 4.74859 4.76173 4.77250 4.78234 4.78776 4.79317 4.79928 4.80886 4.81620 4.82858 4.83061 4.83748 4.85775 4.87011 4.87231 4.87680 4.88556 4.89452 4.90169 4.90800 4.91217 4.93105 4.93625 4.94856 4.95305 4.98183 4.98391 5.00062 5.00153 5.02250 5.03285 5.04197 5.06187 5.06806 5.07139 5.08120 5.08867 5.09683 5.10226 5.10845 5.11851 5.14742 5.15802 5.16820 5.18811 5.19407 5.21427 5.22131 5.24048 5.24416 5.25372 5.25533 5.26340 5.27153 5.29185 5.30051 5.30981 5.32595 5.33349 5.34696 5.35373 5.35826 5.37646 5.38627 5.39311 5.40034 5.40968 5.41313 5.42051 5.42372 5.42430 5.42861 5.43341 5.44330 5.44583 5.46586 5.47994 5.49872 5.51659 5.52474 5.54252 5.54646 5.57610 5.57890 5.59218 5.61024 5.63082 5.63862 5.66961 5.68712 5.69282 5.71312 5.71798 5.73369 5.74122 5.76237 5.77980 5.79412 5.80593 5.81498 5.89054 5.89506 5.91384 5.92575 5.98506 5.98723 6.00838 6.02853 6.03438 6.04279 6.05926 6.08050 6.09342 6.17246 6.17878 6.19424 6.24726 6.25960 6.32408 6.52092 6.52537 6.53979 6.57458 6.67323 6.69954 6.75604 6.79141 6.93314 6.96606 6.96937 7.09455 7.23335 7.31342 15.57660 22.72577 22.96650 22.99093 23.03212 23.07455 23.18278 23.22929 23.26641 23.27864 23.29007 23.30497 23.32138 23.35939 23.45888 23.57605 23.60668 23.65043 23.76182 23.86049 23.99785 32.83931 32.85957 33.00951 33.05643 34.93338 34.97183 35.12920 43.14391 44.23265 119.82442 -19.23400 -14.51270 -14.51227 -14.44225 -14.43993 -10.37657 -10.36852 -10.35398 -10.35326 -10.33420 -10.33117 -10.31754 -10.31485 -10.31149 -10.30708 -10.30141 -10.30026 -10.29745 -10.29733 -10.28673 -10.28591 -10.28411 -10.28335 -10.28300 -10.28213 -6.90807 -6.83857 -4.92512 -4.91765 -4.91741 -1.95972 -1.95753 -1.95730 -1.95090 -1.95089 -1.17202 -1.14419 -1.05183 -1.04932 -1.03043 -0.94444 -0.91701 -0.90788 -0.89915 -0.88155 -0.85819 -0.83704 -0.82003 -0.77257 -0.76538 -0.75159 -0.74985 -0.73004 -0.72414 -0.70996 -0.69000 -0.68672 -0.66340 -0.65126 -0.62335 -0.61669 -0.59665 -0.58937 -0.58557 -0.57529 -0.57229 -0.56389 -0.56156 -0.55318 -0.55023 -0.52602 -0.52203 -0.52131 -0.51451 -0.50209 -0.50045 -0.49835 -0.49327 -0.48449 -0.48178 -0.47314 -0.45049 -0.44900 -0.44497 -0.42736 -0.42209 -0.41984 -0.40022 -0.37292 -0.36454 -0.35855 -0.35733 -0.34536 -0.33835 -0.33463 -0.32347 -0.31729 -0.31104 -0.29707 -0.29562 -0.01683 0.00683 0.01063 0.04035 0.04804 0.05914 0.06126 0.07279 0.07903 0.10468 0.12040 0.12096 0.12548 0.13013 0.13896 0.14414 0.14827 0.15175 0.15817 0.16083 0.16834 0.17036 0.17592 0.18035 0.18305 0.18906 0.19867 0.20101 0.20892 0.20927 0.21484 0.21692 0.22812 0.23054 0.23357 0.23575 0.24288 0.24631 0.25343 0.25845 0.26175 0.26490 0.27128 0.27392 0.28134 0.28267 0.28670 0.28982 0.29506 0.29688 0.29956 0.30185 0.30426 0.30692 0.31018 0.31512 0.31560 0.31802 0.32053 0.32494 0.33157 0.33476 0.34102 0.34455 0.35207 0.35439 0.35530 0.35829 0.36587 0.36741 0.36832 0.37474 0.38127 0.38922 0.39236 0.39787 0.40185 0.40692 0.40848 0.41156 0.41773 0.42427 0.42525 0.43330 0.43433 0.43690 0.43883 0.44047 0.44368 0.44907 0.45346 0.45564 0.46125 0.46327 0.46725 0.47375 0.47769 0.48046 0.48366 0.48636 0.48902 0.49228 0.49365 0.49706 0.50313 0.50470 0.50825 0.51250 0.51478 0.51763 0.52137 0.52482 0.53002 0.53273 0.54142 0.54262 0.54640 0.55355 0.55495 0.55705 0.55879 0.56065 0.56936 0.57258 0.57343 0.57853 0.57987 0.58555 0.58786 0.59336 0.59953 0.60237 0.60604 0.60888 0.61840 0.62242 0.63037 0.63317 0.64343 0.64702 0.64765 0.65438 0.65632 0.66153 0.66748 0.67482 0.67779 0.68776 0.68989 0.69487 0.69999 0.70711 0.71228 0.71803 0.72226 0.72739 0.73057 0.73222 0.74092 0.74257 0.74432 0.75092 0.75388 0.75822 0.76080 0.76497 0.76848 0.77004 0.77701 0.78486 0.78646 0.78811 0.79132 0.79465 0.79651 0.80763 0.81001 0.81221 0.82272 0.82426 0.83013 0.83526 0.83563 0.83870 0.84340 0.85139 0.85684 0.85708 0.86596 0.87205 0.87403 0.88294 0.89307 0.89854 0.90426 0.90671 0.90982 0.91704 0.91915 0.92781 0.93333 0.93540 0.93940 0.95245 0.95516 0.95727 0.96056 0.96423 0.96658 0.97520 0.98148 0.99093 0.99233 0.99758 1.00571 1.01038 1.01834 1.02403 1.03158 1.03487 1.03917 1.04549 1.04969 1.05659 1.06372 1.06626 1.06901 1.08080 1.08657 1.09187 1.09556 1.09858 1.10118 1.11332 1.11459 1.11766 1.12812 1.12966 1.13135 1.13938 1.14513 1.15077 1.15423 1.16522 1.16688 1.17132 1.17880 1.18512 1.18610 1.18741 1.19360 1.19659 1.20252 1.21054 1.21242 1.21757 1.21990 1.22704 1.23620 1.23853 1.24354 1.24499 1.25239 1.25572 1.26336 1.27516 1.27897 1.28362 1.28870 1.30250 1.30501 1.30882 1.31506 1.32000 1.32863 1.33377 1.34378 1.34475 1.35367 1.36037 1.36108 1.36789 1.37028 1.37129 1.37950 1.38185 1.38549 1.39204 1.39671 1.39914 1.40613 1.40883 1.41169 1.41722 1.42079 1.42371 1.42642 1.43403 1.43883 1.44147 1.44715 1.44916 1.45471 1.45657 1.46495 1.47254 1.47805 1.48359 1.48441 1.49022 1.50137 1.50824 1.51616 1.51980 1.52938 1.53648 1.53841 1.54491 1.54572 1.55375 1.56295 1.56811 1.57341 1.57423 1.57931 1.58252 1.58666 1.59096 1.59369 1.60417 1.60721 1.61468 1.62643 1.63583 1.63846 1.65285 1.65747 1.66134 1.66363 1.67759 1.67971 1.68368 1.68671 1.69721 1.70180 1.70451 1.70851 1.71784 1.71943 1.72617 1.73210 1.74043 1.74489 1.74969 1.75174 1.75861 1.76337 1.76589 1.77167 1.77389 1.78027 1.78809 1.79018 1.79270 1.79925 1.80322 1.80940 1.81539 1.82131 1.82808 1.83537 1.83964 1.85079 1.85465 1.86770 1.87343 1.88617 1.88828 1.89807 1.90003 1.90075 1.90513 1.91307 1.91948 1.92563 1.93126 1.93638 1.94471 1.95794 1.96225 1.97516 1.97616 1.98233 1.98965 2.00002 2.00917 2.01326 2.02031 2.04157 2.04554 2.04891 2.05646 2.06248 2.06809 2.07977 2.09171 2.09699 2.10486 2.11174 2.12028 2.12921 2.14166 2.14330 2.14663 2.16667 2.17532 2.18375 2.19225 2.19682 2.21409 2.21689 2.22958 2.23659 2.24030 2.24451 2.27227 2.27977 2.28997 2.30000 2.31845 2.32702 2.33224 2.33541 2.34594 2.35198 2.37145 2.38233 2.38422 2.39152 2.40875 2.41373 2.42350 2.42673 2.42904 2.43413 2.44690 2.45478 2.46536 2.47027 2.47038 2.47651 2.48036 2.49301 2.50009 2.50280 2.51194 2.51961 2.53199 2.54045 2.55122 2.55643 2.57845 2.58655 2.59301 2.59944 2.60990 2.61594 2.63220 2.63983 2.65665 2.67469 2.68623 2.69697 2.69744 2.70237 2.71964 2.72836 2.74391 2.74967 2.75372 2.76004 2.76365 2.76530 2.77177 2.78911 2.79115 2.79258 2.79610 2.80094 2.80781 2.81508 2.82716 2.82970 2.83510 2.84121 2.84960 2.85219 2.85774 2.86056 2.86901 2.88764 2.89056 2.90253 2.90485 2.91571 2.91808 2.92428 2.92463 2.93653 2.94526 2.95221 2.95762 2.95927 2.96453 2.98033 2.99131 2.99290 3.00316 3.01232 3.01478 3.02178 3.02357 3.03633 3.03894 3.04069 3.04937 3.05588 3.06285 3.06460 3.06762 3.07368 3.07540 3.07897 3.09005 3.09482 3.09855 3.10249 3.11151 3.11943 3.12358 3.12856 3.12886 3.13749 3.13903 3.14445 3.15235 3.15855 3.16136 3.16212 3.16725 3.16877 3.17350 3.18103 3.18516 3.18698 3.19430 3.19917 3.20271 3.20414 3.20941 3.21029 3.21762 3.22189 3.22415 3.23055 3.23164 3.23520 3.24385 3.24890 3.25049 3.25999 3.26209 3.26390 3.26804 3.27411 3.27506 3.28000 3.28554 3.28896 3.29692 3.30388 3.30512 3.30944 3.31438 3.31643 3.32585 3.32830 3.33619 3.33690 3.34241 3.35234 3.35798 3.35933 3.36560 3.37626 3.37679 3.37932 3.39098 3.39389 3.40278 3.40606 3.40814 3.41575 3.41847 3.42212 3.42532 3.43528 3.43682 3.44604 3.45149 3.45901 3.46218 3.46640 3.46757 3.47796 3.47904 3.48188 3.48444 3.49533 3.49754 3.50525 3.50879 3.50997 3.51714 3.52183 3.52264 3.53095 3.53352 3.53684 3.54391 3.54767 3.55184 3.56082 3.56376 3.57748 3.57840 3.58510 3.58776 3.59597 3.60006 3.60372 3.60930 3.61445 3.61900 3.62317 3.62942 3.63146 3.64077 3.64452 3.65105 3.65732 3.66181 3.66801 3.67245 3.68708 3.69078 3.70081 3.70279 3.70920 3.71762 3.72178 3.72608 3.72809 3.73448 3.73675 3.74124 3.75271 3.75866 3.76741 3.77821 3.78291 3.80764 3.81560 3.81843 3.82048 3.83076 3.83398 3.84887 3.85192 3.85634 3.85909 3.86352 3.86504 3.87002 3.87134 3.87373 3.87487 3.88362 3.90068 3.90510 3.90648 3.91270 3.91876 3.92441 3.92927 3.93504 3.93804 3.94329 3.94489 3.95081 3.95813 3.96356 3.97209 3.97571 3.98611 3.99727 4.00658 4.00840 4.01069 4.01198 4.01662 4.02735 4.03483 4.04297 4.05301 4.05575 4.06645 4.07170 4.08013 4.09247 4.10217 4.11598 4.11966 4.12827 4.13375 4.13816 4.16285 4.16825 4.17581 4.18657 4.19285 4.19595 4.20047 4.21811 4.21967 4.22774 4.24122 4.24265 4.24957 4.25769 4.26671 4.27289 4.28051 4.29199 4.29580 4.30149 4.30835 4.31761 4.31964 4.32237 4.32951 4.34384 4.34513 4.35301 4.35771 4.36181 4.37314 4.37587 4.38292 4.39108 4.39718 4.39991 4.40863 4.41079 4.41834 4.42325 4.42662 4.44111 4.44330 4.44803 4.45949 4.46409 4.46703 4.47369 4.48120 4.49271 4.49887 4.50516 4.51235 4.52192 4.53777 4.54702 4.55579 4.57122 4.57483 4.57939 4.58199 4.60310 4.60920 4.63273 4.64089 4.64848 4.65806 4.66737 4.67315 4.68614 4.70521 4.70706 4.71106 4.71668 4.74214 4.74767 4.75530 4.76279 4.77357 4.78375 4.78823 4.79404 4.80037 4.80911 4.81750 4.82880 4.83234 4.83777 4.85779 4.87153 4.87497 4.87684 4.89046 4.89950 4.90182 4.90834 4.91236 4.93110 4.93630 4.94917 4.95369 4.98365 4.98395 5.00064 5.00158 5.02251 5.03290 5.04210 5.06377 5.06865 5.07420 5.08132 5.09000 5.09800 5.10317 5.10906 5.11858 5.14891 5.15851 5.16833 5.18812 5.19410 5.21429 5.22139 5.24050 5.24448 5.25458 5.25671 5.26509 5.27216 5.29190 5.30054 5.30990 5.32598 5.33368 5.34781 5.35396 5.35828 5.37649 5.38634 5.39315 5.40047 5.40979 5.41562 5.42121 5.42403 5.42530 5.43058 5.43552 5.44466 5.44596 5.46622 5.48332 5.49887 5.51711 5.53017 5.54258 5.54677 5.57614 5.57893 5.59769 5.61034 5.63084 5.63884 5.66967 5.69080 5.69426 5.71314 5.72190 5.73372 5.74128 5.76239 5.78154 5.79414 5.80596 5.81499 5.89054 5.89507 5.91384 5.92576 5.98507 5.98724 6.00842 6.03287 6.03559 6.04281 6.05938 6.08054 6.09586 6.17248 6.17880 6.19819 6.24725 6.25961 6.32409 6.52090 6.52535 6.53979 6.57457 6.67701 6.69956 6.75605 6.79138 6.93314 6.96604 6.96936 7.09455 7.23333 7.31342 15.57658 22.73790 22.96806 22.99920 23.03224 23.07468 23.18336 23.22930 23.26646 23.27821 23.29009 23.30519 23.32238 23.35941 23.45891 23.57606 23.60670 23.65043 23.76183 23.86050 23.99889 32.83931 32.85955 33.00951 33.05643 34.93343 34.97223 35.12925 43.14408 44.23264 119.82386 2-A. 4.2965 2.6101 -4.7721 6.9315 -144.6992 -155.5827 -181.8646 -0.9029 0.5370 -11.9014 16.0163 5.1328 -21.1491 -0.9029 0.5370 -11.9014 143.1704 51.4975 77.4049 72.4214 44.6374 -25.0296 8.5286 27.1437 9.9226 -8.7217 -6566.6039 -3347.5660 -2009.4133 174.8389 197.5225 -31.3305 -86.8552 126.5126 43.5870 -1609.9595 -1619.9582 -941.3717 -100.8453 -42.8061 27.5664 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-BERON203 GRUFOR 2024-09-25T00:00:00.000 0 coments 0 2 Version=ES64L-G16RevC.02 State=2-A HF=-1388.0616304 S2=0.761683 S2-1=0. S2A=0.75008 RMSD=7.758e-09 Dipole=-0.8818025,1.1619632,2.3041649 Quadrupole=9.2138683,-0.0855616,-9.1283067,-5.8247194,5.1801362,11.6544696 PG=C01 [X(C20H15B1I1N4O1)] 0 -0.5067496438 -1.9362383054 0.3185753017 0 -0.3413787985 -3.1062490579 0.0335644762 0 -0.7128614731 1.042717908 0.5367389876 0 -1.8062738435 -1.2557792245 0.0134949566 0 0.5501234589 -1.1717737385 1.0509101538 0 0.4771539694 0.2206217023 1.2185993759 0 -1.975280109 0.1299691145 0.1761637851 0 1.6342616859 -1.8740796564 1.5829172479 0 2.6030177475 -1.1751538084 2.2864140591 0 2.4361064332 0.2008405516 2.443458134 0 1.4134763549 0.880736309 1.933034677 0 1.6955299781 -2.9523732938 1.4243504986 0 3.4739076261 -1.6773908875 2.709192742 0 3.1696139976 0.7805776026 3.0144833212 0 -4.2069033821 -0.0463485426 -0.3969124676 0 -4.1086032919 -1.41715493 -0.6378799573 0 -2.8843523926 -2.0329028299 -0.416100718 0 -3.1821503289 0.7060758612 -0.0062275977 0 -2.7380932748 -3.1058558846 -0.5588652729 0 -5.1663696851 0.466221429 -0.5264546345 0 -4.9794727753 -1.9817702982 -0.9741614924 0 -1.1047556875 2.3526751145 1.3513661652 0 -2.2366861904 4.0989538617 2.1361123131 0 -0.9780113601 4.1448349377 2.662046528 0 -3.083361811 4.7643231366 2.2700406987 0 -0.5214722148 4.8577601381 3.3408939215 0 -2.2834855194 2.9813922316 1.336007832 0 -3.0437366701 2.5461372853 0.7900457131 0 -0.3071028392 3.0536725226 2.1617543258 0 0.6399125142 2.6759610257 2.3299692867 0 0.080999493 1.8478501869 -1.4918463463 0 3.5386420494 -2.8757203679 -1.2189847328 0 4.6172628969 -2.2154941409 -0.6258551858 0 4.6226076801 -0.8233752048 -0.5144643677 0 3.5420786325 -0.0736259059 -0.9975926559 0 2.5096684947 -0.7754977186 -1.580921239 0 2.4504196967 -2.1457591014 -1.715375674 0 3.5379171998 -3.9661678731 -1.2955340406 0 5.4624849148 -2.7932048791 -0.2447978401 0 5.4692141404 -0.3152575369 -0.0448109543 0 3.514937426 1.0149919127 -0.9058682194 0 1.5928899708 -2.6521181655 -2.1644087643