Gaussian 16 GINC-BERON211 GRUFOR coments ES64L-G16RevC.02 24-Sep-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 40 40 68 69 362 (5D, 7F) def2SVP 114 114 C1[X(C11H22BN4O2)] C1[X(C11H22BN4O2)] UwB97XD def2SVP FOpt #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 230.9543 0 2 AuxInfo=1/0/N:34,23,24,18,3,4,33,10,15,13,1,31,2,32,5,22,17,16,35,12,14/E:(2,3)/CRV:5.3,6.3,9.3,10.5,11.5,12.6,15.4,16.4,17.1,18.3,19.2,20.3,21.3/rA:40nC5NC3C3N4HHHHCHH3C5H3C3O3O1CHHHN4CCHHHHHHB6NCCH2HHHHH/rB:s1;s2;s3;s1s4;s2;s3;s4;s5;;s10;s10;s1s10;s1s5s13;s13;s15;s15;s16;s18;s18;s18;s12;s22;s22;s23;s23;s23;s24;s24;s24;s1s10s12s13s22;s31;s32;s32;s16s33;s33;s33;s34;s34;s34;/rC:1.7559,.4286,-.1222;3.0907,.7353,.137;3.2989,2.0994,.067;2.1098,2.6721,-.2455;1.1699,1.6678,-.3583;3.7657,.03,.3886;4.2698,2.5535,.2391;1.8602,3.7176,-.3991;.187,1.791,-.6012;.4835,-.9496,.9417;-.3284,-1.6745,1.0355;1.5051,-1.3035,1.0965;.24,.3267,.6453;1.0427,1.0607,.5452;-1.1173,.8838,.4318;-2.0766,-.0388,.3878;-1.3504,2.0678,.3217;-3.3847,.431,.1017;-3.4029,.9309,-.8774;-4.0315,-.4532,.0916;-3.7226,1.1417,.8689;1.8071,-2.1755,.5674;1.7822,-3.5335,.0888;2.5914,-2.0007,1.7608;2.8079,-3.9213,-.0722;1.2859,-4.2292,.7962;1.2516,-3.5914,-.8707;2.2372,-2.6599,2.5782;3.6643,-2.2447,1.6073;2.5249,-.9649,2.1198;1.1162,-1.0924,-.1162;-.1307,-1.5065,-.7418;-1.3521,-1.6736,.0025;-.2749,-1.767,-2.1494;-2.1663,-1.0491,-.4164;-1.7187,-2.7206,-.003;-1.2073,-1.3716,1.0482;-.668,-2.7865,-2.3343;-.9815,-1.0668,-2.6438;.6949,-1.6896,-2.659; /NFS_R1/Userdata/grufor/SOFTWARE/g16/g16 Output=85_COOME_p.log chk=85_COOME_p.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 12 14 12 12 14 1 1 1 1 12 1 1 12 1 12 16 16 12 1 1 1 14 12 12 1 1 1 1 1 1 11 14 12 12 1 1 1 1 1 1 12.0000000 14.0030740 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 14.0030740 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 11.0093053 14.0030740 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 2 0 0 2 1 1 1 1 0 1 1 0 1 0 0 0 0 1 1 1 2 0 0 1 1 1 1 1 1 3 2 0 0 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -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 1 1 1 1 1 2 2 3 3 4 4 5 5 10 10 10 10 12 12 13 13 13 15 15 16 18 18 18 22 22 22 23 23 23 24 24 24 31 32 32 33 33 33 34 34 34 2 5 13 14 31 3 6 4 7 5 8 9 14 11 12 13 31 22 31 14 15 31 16 17 18 19 20 21 23 24 31 25 26 27 28 29 30 32 33 34 35 36 37 38 39 40 1.3939 1.391 1.7022 1.1635 1.65 1.3816 1.0082 1.3563 1.0856 1.3801 1.0858 1.0199 1.0959 1.0925 1.0922 1.3328 1.2409 1.0637 1.2908 1.0923 1.4826 1.8335 1.3317 1.2118 1.419 1.0994 1.0955 1.0991 1.44 1.4387 1.4552 1.1084 1.1093 1.098 1.1082 1.1109 1.0982 1.4552 1.44 1.4387 1.1084 1.1093 1.098 1.1082 1.1109 1.0982 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 2 2 2 2 5 5 14 1 1 3 2 2 4 3 3 5 1 1 4 4 9 11 11 11 12 10 1 1 10 10 14 14 15 5 13 13 16 15 16 16 16 19 19 20 12 12 23 23 24 22 22 22 25 25 26 22 22 22 28 28 29 1 1 1 1 10 10 12 12 13 13 22 31 31 33 32 32 32 35 35 36 32 32 32 38 38 39 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 5 5 10 10 10 10 12 13 13 13 13 13 13 13 14 15 15 15 16 18 18 18 18 18 18 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 31 31 31 31 31 31 31 31 31 31 31 32 32 32 33 33 33 33 33 33 34 34 34 34 34 34 5 13 14 31 13 31 31 3 6 6 4 7 7 5 8 8 4 9 9 14 14 12 13 31 13 22 10 15 14 15 15 31 31 13 16 17 17 18 19 20 21 20 21 21 23 24 24 31 31 25 26 27 26 27 27 28 29 30 29 30 30 10 12 22 32 22 32 13 32 22 32 32 33 34 34 35 36 37 36 37 37 38 39 40 39 40 40 103.8215 141.4508 111.1418 124.9874 75.7967 131.19 105.1358 110.6185 122.2498 127.0451 107.2464 122.6646 130.0883 107.9745 129.845 122.1803 110.3371 123.6409 126.0063 114.5062 98.709 117.9035 121.252 112.0776 120.8443 117.4323 89.7051 136.7092 121.9812 123.9917 114.0259 97.516 131.9524 122.2149 113.8268 123.7987 122.3689 116.1902 110.2042 106.1942 110.8981 110.4258 108.8133 110.2946 158.9712 69.0583 113.5565 122.5186 123.918 111.2408 112.787 110.3951 106.6886 107.5643 107.933 111.4301 112.6513 110.6559 106.2556 107.4906 108.1048 95.4391 92.1468 120.2491 126.3628 85.8309 87.8398 83.1322 127.9849 127.4386 89.3877 113.3873 122.5186 123.918 113.5565 111.2408 112.787 110.3951 106.6886 107.5643 107.933 111.4301 112.6513 110.6559 106.2556 107.4906 108.1048 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 5 5 13 13 14 14 31 31 2 2 13 13 31 31 2 2 5 5 2 2 2 2 5 5 5 5 14 14 14 14 1 1 6 6 2 2 7 7 3 3 3 8 8 8 4 9 11 13 11 11 11 12 12 12 11 11 11 10 10 10 15 31 1 1 10 10 14 14 31 31 14 14 14 15 15 15 13 17 15 15 15 12 12 12 24 24 24 31 31 31 12 12 12 23 23 23 31 31 31 23 23 23 23 24 24 24 24 1 1 10 10 12 12 13 13 22 22 31 31 31 34 34 34 31 31 31 33 33 33 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 4 4 5 5 10 10 10 10 10 10 10 10 10 10 10 12 12 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 15 15 16 16 16 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 31 31 31 31 31 31 31 31 31 31 32 32 32 32 32 32 32 32 32 32 32 32 2 2 2 2 2 2 2 2 5 5 5 5 5 5 13 13 13 13 31 31 31 31 31 31 31 31 31 31 31 31 3 3 3 3 4 4 4 4 5 5 5 5 5 5 14 14 12 12 13 13 13 13 13 13 31 31 31 22 22 14 14 14 15 15 15 15 15 15 15 15 31 31 31 31 31 31 16 16 18 18 18 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 31 31 31 31 31 31 31 31 32 32 32 32 32 32 32 32 32 32 33 33 33 33 33 33 34 34 34 34 34 34 3 6 3 6 3 6 3 6 4 9 4 9 4 9 10 15 10 15 10 12 22 32 10 12 22 32 10 12 22 32 4 7 4 7 5 8 5 8 1 9 14 1 9 14 13 13 22 22 1 14 15 1 14 15 1 22 32 23 24 5 5 5 16 17 16 17 16 17 16 17 12 22 32 12 22 32 18 18 19 20 21 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 1 10 13 32 1 10 13 32 33 34 33 34 33 34 33 34 33 34 35 36 37 35 36 37 38 39 40 38 39 40 0.2839 177.1215 -84.1659 92.6717 -51.6204 125.2172 -179.3801 -2.5425 -0.013 178.6237 140.2083 -41.155 179.6213 -1.7421 -89.8605 126.0556 175.677 31.5931 107.8555 56.7669 19.5181 -160.8218 -71.7111 -122.7996 -160.0484 19.6117 -22.3379 -73.4265 -110.6753 68.9848 -0.4529 179.8232 -177.1019 3.1743 0.4294 -179.3853 -179.8744 0.3109 -0.2631 -178.86 58.6616 179.5688 0.9719 -121.5065 171.2324 34.8932 49.8459 -130.03 -150.3488 -179.7827 0.6301 29.523 0.089 -179.4981 159.5658 -80.4051 33.2375 -53.8794 -155.2441 124.8717 -55.5031 87.3493 126.6017 -54.2367 -8.3674 170.7942 172.016 -8.8224 45.6268 -135.2116 89.4339 98.3823 -142.1605 -138.4368 -129.4884 -10.0312 -176.1778 4.647 59.6068 179.2185 -60.9468 -148.038 -28.2052 92.6252 -55.3165 64.5163 -174.6533 123.7641 -116.4031 4.4273 100.6446 -140.0383 -18.8947 -56.7871 62.5299 -176.3265 124.1471 -116.5359 4.6077 -146.008 120.121 142.7386 34.2902 32.9764 -60.8945 -38.277 -146.7254 -100.0908 78.8936 -4.9261 174.0583 29.2505 -151.7651 -51.5386 127.4458 79.5893 -101.4263 123.7641 -116.4031 4.4273 -55.3165 64.5163 -174.6533 124.1471 -116.5359 4.6077 -56.7871 62.5299 -176.3265 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 380 A 362 A 604 380 1580.1024108262 40 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 86 out of a maximum of 240 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00201 0.00247 0.00305 0.00452 0.00463 0.00599 0.00632 0.00756 0.00961 0.01056 0.01192 0.01437 0.01570 0.01609 0.01764 0.01946 0.02089 0.02311 0.02388 0.02429 0.02589 0.03116 0.03193 0.03350 0.03519 0.03960 0.04846 0.05344 0.05759 0.05846 0.06009 0.06114 0.06257 0.06424 0.07057 0.07166 0.07398 0.07467 0.07968 0.08194 0.09899 0.09952 0.10220 0.10627 0.11140 0.11963 0.13182 0.13215 0.14155 0.15487 0.15645 0.15775 0.15915 0.15946 0.15996 0.16011 0.16029 0.16032 0.16072 0.16106 0.16157 0.16197 0.16303 0.16416 0.16508 0.16654 0.17382 0.18190 0.19644 0.19718 0.20406 0.24085 0.24727 0.26205 0.27831 0.28705 0.29570 0.30716 0.32184 0.32467 0.32530 0.32612 0.32732 0.32776 0.32783 0.32856 0.33088 0.33213 0.33748 0.33826 0.34042 0.34197 0.34320 0.34558 0.35055 0.35327 0.35349 0.35764 0.38261 0.38494 0.39875 0.40451 0.41151 0.41529 0.42070 0.42816 0.44756 0.45574 0.46271 0.48835 0.50426 0.55127 0.59666 1.00411 -8.14255176e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 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 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 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 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 2.52537 2.53666 5.55214 5.71560 3.14679 2.59900 1.93399 2.57463 2.05063 2.60275 2.05146 1.95814 5.35406 2.07986 2.07462 2.76101 3.23112 5.30691 4.41272 2.06810 2.73939 4.89069 2.51583 2.32395 2.67381 2.07933 2.07099 2.07799 2.72755 2.73043 2.94842 2.08932 2.10302 2.07488 2.10206 2.09106 2.08395 2.88699 2.72426 2.72213 2.09233 2.10128 2.07203 2.10615 2.09177 2.07885 1.83992 2.71311 2.41632 2.10075 1.39149 2.33675 1.39012 1.94722 2.02648 2.30572 1.84439 2.15200 2.28678 1.86324 2.28215 2.13779 1.92999 2.14795 2.20328 2.36283 1.02085 1.88504 1.96562 1.85441 1.92154 1.29222 1.19511 1.68952 2.07431 2.14929 1.97486 1.97258 1.75489 1.53893 2.01357 2.13890 2.13027 2.03030 1.92444 1.85486 1.94078 1.92186 1.89809 1.92379 2.15966 1.13185 1.93421 2.04837 2.05219 1.93061 1.98287 1.93743 1.86049 1.87177 1.87547 1.98433 1.93998 1.93851 1.85821 1.86447 1.87241 1.91477 1.81083 1.78905 1.83805 1.96279 1.91706 0.87921 2.34907 2.44207 1.72832 2.03101 2.12964 2.09620 1.92431 1.93172 1.98465 1.95120 1.85249 1.86330 1.87363 1.98857 1.93437 1.95545 1.85260 1.86265 1.86255 -0.00603 -3.06585 -1.73605 1.48732 -1.32238 1.90099 3.03571 -0.02411 0.00583 3.08388 2.71736 -0.48776 -3.01613 0.06193 -1.33491 2.80123 3.12111 0.97408 2.29447 1.83073 0.20571 -1.92653 -0.98087 -1.44460 -3.06962 1.08132 -0.16243 -0.62617 -2.25119 1.89976 0.00394 3.14102 3.04650 -0.09960 -0.00021 3.13719 -3.13680 0.00059 -0.00354 -3.07912 1.81407 -3.14136 0.06624 -1.32376 -3.01734 1.32040 1.73250 -2.39802 -2.43574 2.63146 -0.97064 1.74259 0.52661 -3.07550 2.82831 -1.47588 0.81583 -1.43006 3.12301 1.47136 -1.25359 0.72653 2.05288 -1.05747 0.85403 -2.25632 -2.72470 0.44814 1.44991 -1.66044 1.37416 1.19594 -2.42516 -2.79881 -2.97704 -0.31494 -2.95833 0.15218 1.01663 3.09913 -1.09022 -2.17865 -0.08712 2.02881 -0.90497 1.18657 -2.98069 2.95239 -1.23926 0.87667 0.99457 3.09097 -1.10888 -1.07450 1.02190 3.10524 1.34959 -2.83719 -0.75385 -2.47716 1.75107 2.12624 -0.48187 1.42867 -0.62629 -0.25112 -2.85923 -2.96672 0.75842 -0.90606 2.81907 -0.73220 2.99294 -1.45461 2.27052 1.34906 -1.20899 2.65300 -1.54694 0.57827 -1.02155 1.06170 -3.09628 1.46354 -2.73165 -0.65330 -1.15681 0.93117 3.00953 -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 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00002 -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 0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 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 -0.00001 0.00000 -0.00001 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 -0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00001 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 -0.00000 0.00000 0.00000 -0.00000 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 -0.00001 -0.00000 -0.00000 -0.00001 -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 0.00001 -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 -0.00004 -0.00020 -0.00034 0.00006 -0.00000 0.00003 0.00000 0.00000 0.00000 -0.00000 -0.00002 -0.00040 0.00000 -0.00002 -0.00008 0.00004 -0.00011 0.00007 -0.00001 -0.00002 -0.00024 0.00005 -0.00002 -0.00005 0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00003 -0.00001 0.00000 -0.00000 -0.00001 -0.00001 0.00000 -0.00008 0.00002 0.00004 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00027 0.00025 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00010 0.00010 0.00000 0.00001 -0.00001 -0.00002 -0.00002 0.00003 0.00002 0.00003 -0.00008 0.00030 0.00006 0.00001 0.00001 -0.00008 0.00015 0.00003 0.00012 0.00009 0.00002 0.00004 0.00000 -0.00004 0.00007 0.00008 -0.00002 0.00001 0.00001 0.00001 0.00002 0.00002 0.00003 -0.00002 -0.00004 -0.00001 -0.00039 0.00000 -0.00001 0.00003 -0.00007 0.00001 0.00002 -0.00004 0.00001 0.00001 -0.00002 -0.00001 -0.00002 -0.00004 0.00002 0.00002 0.00002 0.00004 0.00011 -0.00005 0.00002 -0.00003 -0.00003 0.00005 -0.00008 -0.00003 -0.00001 0.00006 0.00005 -0.00002 -0.00006 0.00001 -0.00001 -0.00000 0.00002 0.00001 -0.00003 -0.00001 -0.00004 0.00005 0.00001 0.00001 -0.00002 -0.00007 -0.00003 -0.00020 -0.00016 -0.00001 0.00003 -0.00025 -0.00021 0.00007 -0.00034 0.00035 -0.00006 0.00028 -0.00013 0.00010 0.00011 0.00004 0.00004 0.00031 0.00030 0.00035 0.00030 0.00007 0.00006 0.00011 0.00006 0.00000 -0.00000 0.00004 -0.00000 0.00004 -0.00012 -0.00002 -0.00018 -0.00000 -0.00007 0.00018 0.00011 -0.00004 0.00038 0.00019 0.00002 0.00044 0.00025 -0.00014 0.00000 0.00004 0.00014 0.00020 0.00022 0.00038 0.00008 0.00010 0.00026 -0.00016 -0.00021 -0.00018 -0.00041 -0.00054 0.00010 -0.00005 0.00002 -0.00002 -0.00002 -0.00022 -0.00022 -0.00007 -0.00006 -0.00006 -0.00006 0.00017 -0.00008 0.00001 0.00020 -0.00004 0.00004 -0.00008 -0.00008 0.00045 0.00045 0.00047 0.00022 0.00026 0.00022 0.00014 0.00018 0.00014 0.00025 0.00028 0.00025 -0.00037 -0.00036 -0.00037 0.00006 0.00007 0.00006 -0.00000 0.00001 -0.00000 -0.00038 -0.00038 -0.00029 -0.00037 -0.00029 -0.00030 -0.00020 -0.00028 -0.00013 -0.00006 -0.00009 -0.00002 0.00001 0.00008 -0.00014 -0.00007 -0.00011 -0.00003 -0.00021 -0.00018 -0.00023 -0.00027 -0.00024 -0.00029 -0.00050 -0.00052 -0.00054 -0.00047 -0.00049 -0.00051 0.00000 -0.00001 0.00012 0.00049 0.00002 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00059 0.00001 0.00000 -0.00000 -0.00002 -0.00031 -0.00009 0.00001 0.00001 0.00006 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00003 0.00001 0.00002 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00003 0.00005 -0.00003 0.00004 0.00002 -0.00004 -0.00001 0.00004 -0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00002 -0.00001 0.00001 0.00000 0.00001 -0.00005 -0.00002 0.00005 0.00009 -0.00002 -0.00010 0.00007 -0.00007 0.00002 0.00015 -0.00008 -0.00018 -0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00022 0.00001 -0.00002 -0.00002 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00002 0.00001 -0.00000 0.00001 0.00001 0.00002 0.00006 -0.00005 -0.00000 -0.00004 0.00003 0.00002 0.00003 -0.00009 0.00007 0.00003 -0.00000 -0.00003 -0.00001 -0.00002 0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00002 0.00003 -0.00014 -0.00010 -0.00027 -0.00008 -0.00025 -0.00001 -0.00018 -0.00005 -0.00003 -0.00001 0.00001 0.00000 0.00002 0.00007 0.00010 -0.00004 -0.00001 0.00006 0.00002 0.00013 0.00011 0.00001 -0.00003 0.00007 0.00006 0.00004 0.00000 0.00010 0.00009 0.00000 0.00004 0.00021 0.00025 -0.00003 0.00006 -0.00007 0.00002 0.00005 0.00003 0.00003 -0.00003 -0.00005 -0.00005 0.00005 0.00007 0.00002 0.00000 0.00005 -0.00012 -0.00006 0.00003 -0.00014 -0.00008 -0.00009 -0.00015 -0.00012 -0.00022 -0.00028 0.00004 0.00000 0.00001 -0.00000 0.00002 0.00008 0.00011 0.00016 0.00018 0.00002 0.00004 -0.00005 -0.00017 -0.00011 -0.00001 -0.00013 -0.00006 0.00016 0.00014 0.00015 0.00014 0.00014 -0.00002 -0.00002 -0.00002 -0.00006 -0.00006 -0.00006 -0.00002 -0.00002 -0.00002 -0.00015 -0.00017 -0.00017 0.00009 0.00007 0.00007 0.00003 0.00001 0.00002 -0.00021 -0.00019 -0.00016 -0.00023 -0.00015 -0.00013 -0.00010 -0.00017 0.00005 0.00014 0.00010 0.00018 0.00019 0.00028 0.00010 0.00018 0.00009 0.00018 0.00022 0.00022 0.00024 0.00013 0.00013 0.00015 0.00005 0.00006 0.00007 0.00013 0.00013 0.00014 -0.00000 -0.00005 -0.00007 0.00014 0.00008 -0.00001 0.00002 0.00001 0.00000 0.00000 -0.00000 -0.00002 0.00019 0.00001 -0.00002 -0.00008 0.00002 -0.00042 -0.00002 -0.00000 -0.00001 -0.00017 0.00006 -0.00001 -0.00005 0.00002 0.00000 0.00000 -0.00001 0.00001 -0.00003 -0.00001 0.00000 -0.00000 -0.00001 -0.00002 0.00000 -0.00011 0.00003 0.00006 -0.00001 -0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00030 0.00031 -0.00004 0.00003 0.00001 -0.00005 -0.00001 -0.00006 0.00008 0.00001 0.00002 -0.00002 -0.00002 -0.00002 0.00004 0.00002 0.00005 -0.00009 0.00031 0.00006 0.00003 -0.00004 -0.00010 0.00020 0.00013 0.00010 -0.00001 0.00009 -0.00003 0.00002 0.00011 -0.00000 -0.00010 -0.00002 0.00002 0.00000 0.00001 0.00001 0.00002 0.00004 -0.00003 -0.00003 -0.00001 -0.00061 0.00002 -0.00004 0.00000 -0.00006 0.00001 0.00001 -0.00003 0.00002 0.00001 -0.00002 -0.00000 -0.00004 -0.00003 0.00002 0.00003 0.00003 0.00006 0.00017 -0.00010 0.00002 -0.00007 0.00000 0.00007 -0.00005 -0.00012 0.00007 0.00009 0.00005 -0.00006 -0.00006 -0.00001 0.00000 -0.00001 0.00002 0.00001 -0.00002 -0.00002 -0.00004 0.00003 0.00002 0.00001 0.00000 -0.00004 -0.00018 -0.00030 -0.00043 -0.00009 -0.00022 -0.00026 -0.00039 0.00002 -0.00037 0.00034 -0.00005 0.00028 -0.00011 0.00017 0.00021 -0.00001 0.00003 0.00037 0.00032 0.00047 0.00041 0.00008 0.00003 0.00018 0.00012 0.00004 -0.00000 0.00015 0.00009 0.00005 -0.00008 0.00020 0.00007 -0.00003 -0.00001 0.00011 0.00014 0.00001 0.00041 0.00022 -0.00002 0.00039 0.00020 -0.00009 0.00007 0.00006 0.00015 0.00025 0.00010 0.00032 0.00011 -0.00005 0.00018 -0.00024 -0.00037 -0.00030 -0.00063 -0.00081 0.00014 -0.00005 0.00003 -0.00002 0.00001 -0.00013 -0.00011 0.00009 0.00012 -0.00004 -0.00002 0.00011 -0.00025 -0.00010 0.00019 -0.00017 -0.00002 0.00009 0.00006 0.00061 0.00058 0.00061 0.00020 0.00024 0.00020 0.00008 0.00012 0.00008 0.00023 0.00027 0.00023 -0.00052 -0.00053 -0.00054 0.00015 0.00014 0.00013 0.00003 0.00002 0.00001 -0.00059 -0.00057 -0.00044 -0.00059 -0.00044 -0.00043 -0.00030 -0.00045 -0.00008 0.00008 0.00000 0.00016 0.00020 0.00036 -0.00005 0.00011 -0.00001 0.00014 0.00001 0.00004 0.00001 -0.00013 -0.00011 -0.00014 -0.00045 -0.00047 -0.00047 -0.00034 -0.00036 -0.00036 2.52536 2.53661 5.55207 5.71575 3.14688 2.59900 1.93401 2.57464 2.05063 2.60275 2.05146 1.95812 5.35425 2.07987 2.07460 2.76093 3.23113 5.30648 4.41270 2.06810 2.73938 4.89051 2.51588 2.32394 2.67375 2.07935 2.07099 2.07799 2.72754 2.73044 2.94839 2.08931 2.10302 2.07488 2.10205 2.09104 2.08395 2.88688 2.72429 2.72219 2.09233 2.10127 2.07204 2.10614 2.09176 2.07884 1.83992 2.71340 2.41662 2.10071 1.39152 2.33676 1.39007 1.94721 2.02642 2.30580 1.84440 2.15201 2.28676 1.86322 2.28213 2.13784 1.93001 2.14800 2.20319 2.36314 1.02091 1.88506 1.96558 1.85431 1.92174 1.29235 1.19521 1.68950 2.07440 2.14926 1.97488 1.97269 1.75488 1.53883 2.01355 2.13892 2.13027 2.03031 1.92446 1.85488 1.94082 1.92183 1.89806 1.92378 2.15905 1.13187 1.93417 2.04837 2.05213 1.93062 1.98288 1.93740 1.86051 1.87179 1.87545 1.98433 1.93994 1.93848 1.85823 1.86450 1.87243 1.91484 1.81100 1.78895 1.83807 1.96272 1.91707 0.87928 2.34902 2.44195 1.72838 2.03110 2.12969 2.09615 1.92425 1.93171 1.98466 1.95119 1.85252 1.86331 1.87361 1.98856 1.93433 1.95548 1.85262 1.86266 1.86256 -0.00607 -3.06602 -1.73635 1.48689 -1.32246 1.90077 3.03545 -0.02450 0.00585 3.08351 2.71770 -0.48782 -3.01585 0.06182 -1.33474 2.80144 3.12110 0.97410 2.29483 1.83105 0.20619 -1.92611 -0.98079 -1.44457 -3.06944 1.08145 -0.16239 -0.62617 -2.25104 1.89985 0.00399 3.14094 3.04670 -0.09953 -0.00024 3.13718 -3.13669 0.00073 -0.00353 -3.07871 1.81429 -3.14138 0.06663 -1.32356 -3.01743 1.32047 1.73256 -2.39787 -2.43549 2.63156 -0.97032 1.74270 0.52656 -3.07532 2.82807 -1.47625 0.81553 -1.43068 3.12220 1.47150 -1.25364 0.72656 2.05286 -1.05746 0.85390 -2.25642 -2.72460 0.44826 1.44986 -1.66046 1.37427 1.19569 -2.42526 -2.79863 -2.97721 -0.31497 -2.95825 0.15225 1.01723 3.09972 -1.08961 -2.17845 -0.08688 2.02901 -0.90489 1.18669 -2.98061 2.95262 -1.23899 0.87690 0.99404 3.09044 -1.10942 -1.07435 1.02204 3.10537 1.34962 -2.83717 -0.75384 -2.47775 1.75050 2.12580 -0.48246 1.42822 -0.62671 -0.25142 -2.85968 -2.96680 0.75849 -0.90606 2.81923 -0.73200 2.99329 -1.45466 2.27063 1.34905 -1.20885 2.65301 -1.54690 0.57827 -1.02169 1.06159 -3.09642 1.46310 -2.73212 -0.65377 -1.15715 0.93082 3.00916 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000019 0.000004 0.001408 0.000345 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.044087e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 1 1 1 1 2 2 3 3 4 4 5 5 10 10 10 10 12 12 13 13 13 15 15 16 18 18 18 22 22 22 23 23 23 24 24 24 31 32 32 33 33 33 34 34 34 2 5 13 14 31 3 6 4 7 5 8 9 14 11 12 13 31 22 31 14 15 31 16 17 18 19 20 21 23 24 31 25 26 27 28 29 30 32 33 34 35 36 37 38 39 40 1.3364 1.3423 2.9381 3.0246 1.6652 1.3753 1.0234 1.3624 1.0851 1.3773 1.0856 1.0362 2.8332 1.1006 1.0978 1.4611 1.7098 2.8083 2.3351 1.0944 1.4496 2.588 1.3313 1.2298 1.4149 1.1003 1.0959 1.0996 1.4434 1.4449 1.5602 1.1056 1.1129 1.098 1.1124 1.1065 1.1028 1.5277 1.4416 1.4405 1.1072 1.1119 1.0965 1.1145 1.1069 1.1001 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 2 2 2 2 5 5 14 1 1 3 2 2 4 3 3 5 1 1 4 4 9 11 11 11 12 10 1 1 10 10 14 14 15 5 13 13 16 15 16 16 16 19 19 20 12 12 23 23 24 22 22 22 25 25 26 22 22 22 28 28 29 1 1 1 1 10 10 12 12 13 13 22 31 31 33 32 32 32 35 35 36 32 32 32 38 38 39 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 5 5 10 10 10 10 12 13 13 13 13 13 13 13 14 15 15 15 16 18 18 18 18 18 18 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 31 31 31 31 31 31 31 31 31 31 31 32 32 32 33 33 33 33 33 33 34 34 34 34 34 34 5 13 14 31 13 31 31 3 6 6 4 7 7 5 8 8 4 9 9 14 14 12 13 31 13 22 10 15 14 15 15 31 31 13 16 17 17 18 19 20 21 20 21 21 23 24 24 31 31 25 26 27 26 27 27 28 29 30 29 30 30 10 12 22 32 22 32 13 32 22 32 32 33 34 34 35 36 37 36 37 37 38 39 40 39 40 40 105.4195 155.4496 138.4447 120.3641 79.7268 133.886 79.6479 111.5675 116.1089 132.1078 105.6759 123.3004 131.0231 106.7556 130.7574 122.4866 110.5803 123.0687 126.2385 135.3801 58.4906 108.0048 112.6218 106.2501 110.0964 74.0389 68.4746 96.8021 118.849 123.1451 113.1514 113.0203 100.5475 88.1741 115.3692 122.5502 122.0554 116.3276 110.2625 106.2754 111.1988 110.1146 108.7527 110.2251 123.7394 64.8505 110.8219 117.3627 117.5819 110.6161 113.6098 111.0064 106.5985 107.2447 107.4563 113.6938 111.1527 111.0686 106.4678 106.826 107.281 109.7085 103.7527 102.5049 105.3127 112.4594 109.8395 50.3748 134.5918 139.9202 99.0252 116.3685 122.0193 120.1036 110.2547 110.6795 113.7123 111.7953 106.1399 106.7593 107.3513 113.9368 110.8315 112.0388 106.1462 106.7217 106.7165 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 5 5 13 13 14 14 31 31 2 2 13 13 31 31 2 2 5 5 2 2 2 2 5 5 5 5 14 14 14 14 1 1 6 6 2 2 7 7 3 3 3 8 8 8 4 9 11 13 11 11 11 12 12 12 11 11 11 10 10 10 15 31 1 1 10 10 14 14 31 31 14 14 14 15 15 15 13 17 15 15 15 12 12 12 24 24 24 31 31 31 12 12 12 23 23 23 31 31 31 23 23 23 23 24 24 24 24 1 1 10 10 12 12 13 13 22 22 31 31 31 34 34 34 31 31 31 33 33 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 4 4 5 5 10 10 10 10 10 10 10 10 10 10 10 12 12 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 15 15 16 16 16 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 31 31 31 31 31 31 31 31 31 31 32 32 32 32 32 32 32 32 32 32 32 2 2 2 2 2 2 2 2 5 5 5 5 5 5 13 13 13 13 31 31 31 31 31 31 31 31 31 31 31 31 3 3 3 3 4 4 4 4 5 5 5 5 5 5 14 14 12 12 13 13 13 13 13 13 31 31 31 22 22 14 14 14 15 15 15 15 15 15 15 15 31 31 31 31 31 31 16 16 18 18 18 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 31 31 31 31 31 31 31 31 32 32 32 32 32 32 32 32 32 32 33 33 33 33 33 33 34 34 34 34 34 3 6 3 6 3 6 3 6 4 9 4 9 4 9 10 15 10 15 10 12 22 32 10 12 22 32 10 12 22 32 4 7 4 7 5 8 5 8 1 9 14 1 9 14 13 13 22 22 1 14 15 1 14 15 1 22 32 23 24 5 5 5 16 17 16 17 16 17 16 17 12 22 32 12 22 32 18 18 19 20 21 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 1 10 13 32 1 10 13 32 33 34 33 34 33 34 33 34 33 34 35 36 37 35 36 37 38 39 40 38 39 -0.3453 -175.66 -99.4681 85.2172 -75.7666 108.9187 173.9332 -1.3815 0.3338 176.6936 155.6934 -27.9469 -172.8116 3.5481 -76.485 160.4989 178.8265 55.8104 131.4632 104.8932 11.7864 -110.3818 -56.1997 -82.7697 -175.8765 61.9553 -9.3067 -35.8767 -128.9835 108.8483 0.2257 179.9671 174.5518 -5.7068 -0.0121 179.7476 -179.7256 0.0341 -0.2027 -176.4203 103.9385 -179.9869 3.7955 -75.8457 -172.8808 75.6531 99.2651 -137.3962 -139.5576 150.7718 -55.6137 99.8431 30.1724 -176.213 162.0503 -84.5618 46.7434 -81.9362 178.9353 84.3028 -71.8257 41.627 117.6213 -60.5885 48.9325 -129.2774 -156.1136 25.6766 83.0736 -95.1362 78.7334 68.5221 -138.9513 -160.3603 -170.5716 -18.045 -169.5001 8.7195 58.2485 177.5672 -62.4649 -124.8275 -4.9914 116.2424 -51.8508 67.9853 -170.781 169.1594 -71.0044 50.2293 56.9845 177.0993 -63.5341 -61.5644 58.5505 177.917 77.326 -162.5591 -43.1926 -141.9307 100.3292 121.8246 -27.609 81.8565 -35.8836 -14.3881 -163.8217 -169.9803 43.454 -51.9136 161.5207 -41.9517 171.4826 -83.3429 130.0914 77.2956 -69.2701 152.0056 -88.6331 33.1322 -58.5306 60.8307 -177.404 83.8549 -156.5122 -37.4313 -66.2806 53.3524 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0392314473 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 230.9543 AuxInfo=1/0/N:34,23,24,18,3,4,33,10,15,13,1,31,2,32,5,22,17,16,35,12,14/E:(2,3)/CRV:5.3,6.3,9.3,10.5,11.5,12.6,15.4,16.4,17.1,18.3,19.2,20.3,21.3/rA:40nC5NC3C3N4HHHHCHH3C5H3C3O3O1CHHHN4CCHHHHHHB6NCCH2HHHHH/rB:s1;s2;s3;s1s4;s2;s3;s4;s5;;s10;s10;s1s10;s1s5s13;s13;s15;s15;s16;s18;s18;s18;s12;s22;s22;s23;s23;s23;s24;s24;s24;s1s10s12s13s22;s31;s32;s32;s16s33;s33;s33;s34;s34;s34;/rC:1.7559,.4286,-.1223;3.0907,.7353,.137;3.2989,2.0994,.067;2.1098,2.6721,-.2455;1.1699,1.6678,-.3583;3.7657,.03,.3886;4.2698,2.5535,.2391;1.8602,3.7176,-.3991;.187,1.791,-.6012;.4835,-.9496,.9417;-.3284,-1.6745,1.0355;1.5051,-1.3035,1.0965;.24,.3267,.6453;1.0427,1.0607,.5452;-1.1173,.8837,.4318;-2.0766,-.0388,.3878;-1.3505,2.0679,.3217;-3.3847,.431,.1016;-3.4029,.9309,-.8774;-4.0315,-.4532,.0916;-3.7226,1.1417,.8689;1.8071,-2.1755,.5674;1.7822,-3.5335,.0889;2.5914,-2.0007,1.7608;2.8079,-3.9213,-.0722;1.2859,-4.2292,.7962;1.2516,-3.5914,-.8706;2.2373,-2.6599,2.5782;3.6643,-2.2446,1.6073;2.5249,-.9649,2.1198;1.1162,-1.0924,-.1162;-.1307,-1.5065,-.7418;-1.3521,-1.6736,.0025;-.2749,-1.767,-2.1494;-2.1663,-1.049,-.4164;-1.7187,-2.7206,-.003;-1.2073,-1.3716,1.0482;-.668,-2.7865,-2.3343;-.9815,-1.0668,-2.6438;.6949,-1.6896,-2.659; 0.000000 1.393916 0.000000 2.282161 1.381626 0.000000 2.274647 2.204452 1.356304 0.000000 1.390991 2.191864 2.213510 1.380133 0.000000 2.111674 1.008166 2.145598 3.181940 3.158861 0.000000 3.311465 2.169459 1.085624 2.216876 3.278837 2.577677 0.000000 3.302350 3.270407 2.214872 1.085803 2.163319 4.224892 2.751103 0.000000 2.132377 3.176596 3.197704 2.144779 1.019936 4.109482 4.237555 2.559776 0.000000 2.156483 3.206885 4.241242 4.143861 3.002030 3.469671 5.205968 5.047444 3.159028 0.000000 3.179276 4.278434 5.323330 5.145825 3.919058 4.481722 6.297182 5.993662 3.867098 1.092455 0.000000 2.132680 2.755275 3.982122 4.239389 3.325297 2.718404 4.822396 5.251192 3.767702 1.092210 1.871676 0.000000 1.702201 2.924342 3.582394 3.129000 1.915837 3.547478 4.622021 3.900540 1.923700 1.332774 2.116717 2.112315 0.000000 1.163484 2.113430 2.529366 2.088174 1.095892 2.915718 3.568783 2.935847 1.606155 2.124043 3.098737 2.471320 1.092317 0.000000 2.961340 4.220932 4.594970 3.751200 2.543702 4.957283 5.643282 4.193721 1.895114 2.486735 2.744391 3.478952 1.482609 2.170260 0.000000 3.894426 5.230969 5.794019 5.027562 3.742861 5.842711 6.857072 5.498085 3.074115 2.773164 2.480187 3.863989 2.359358 3.311202 1.331651 0.000000 3.540281 4.640392 4.656393 3.558116 2.640920 5.507453 5.641808 3.681007 1.814396 3.585093 3.944565 4.485602 2.380257 2.606050 1.211846 2.229300 0.000000 5.145425 6.482591 6.888729 5.944125 4.741878 7.167344 7.944512 6.209834 3.885930 4.192166 3.826999 5.282803 3.666679 4.493905 2.335563 1.419008 2.620293 0.000000 5.237881 6.575223 6.868099 5.815584 4.660782 7.335038 7.921476 5.974551 3.701805 4.684979 4.460899 5.742553 3.994248 4.669476 2.634378 2.073612 2.634963 1.099405 0.000000 5.858009 7.220744 7.762065 6.898989 5.635146 7.817739 8.830220 7.235212 4.828189 4.620999 4.011876 5.690892 4.377211 5.314590 3.224155 2.020097 3.687320 1.095497 1.802626 0.000000 5.612858 6.864462 7.131658 6.131917 5.071363 7.585534 8.140499 6.277793 4.226960 4.697844 4.413530 5.775760 4.051643 4.776944 2.654194 2.081901 2.604618 1.099113 1.787766 1.800951 0.000000 2.694310 3.210227 4.555240 4.924607 4.004244 2.955037 5.341908 5.972087 4.441110 1.842516 2.242916 1.063704 2.953509 3.325342 4.234357 4.436331 5.294956 5.827973 6.235464 6.105871 6.455399 0.000000 3.967731 4.465077 5.833488 6.223212 5.256257 4.089312 6.577370 7.267911 5.600969 3.014989 2.967583 2.462653 4.193966 4.675644 5.294974 5.214634 6.422031 6.512569 6.910076 6.579271 7.264183 1.440030 0.000000 3.185153 3.220511 4.492224 5.108065 4.468678 2.717653 5.086584 6.156215 5.073165 2.493793 3.026179 1.451688 3.491474 3.639825 4.882706 5.246374 5.844835 6.661765 7.175331 7.003083 7.108879 1.438712 2.408230 0.000000 4.475600 4.669926 6.042298 6.632581 5.831278 4.091809 6.645105 7.704469 6.307149 3.906690 4.013988 3.149001 5.015538 5.321486 6.225017 6.256562 7.301909 7.571092 7.922549 7.670228 8.316727 2.111575 1.108398 2.663796 0.000000 4.770670 5.323366 6.680924 7.027973 6.010107 4.945340 7.430956 8.056737 6.277219 3.379468 3.031487 2.949215 4.676932 5.301483 5.661364 5.388241 6.843165 6.634342 7.170256 6.559709 7.344222 2.131145 1.109348 2.757004 1.779159 0.000000 4.119991 4.808117 6.120066 6.352855 5.284734 4.584871 6.935467 7.349448 5.493274 3.294431 3.131156 3.027878 4.321250 4.867267 5.228283 5.028036 6.341855 6.214454 6.489599 6.219689 7.083105 2.093150 1.097983 3.354088 1.780067 1.785022 0.000000 4.130709 4.267930 5.484887 6.034901 5.337726 3.790260 6.064842 7.048366 5.841454 2.946009 3.151754 2.138064 4.079853 4.404894 5.330824 5.502505 6.349412 6.876984 7.526344 7.095753 7.272786 2.112601 2.677134 1.108207 2.990276 2.558011 3.705913 0.000000 3.712031 3.372069 4.623477 5.479389 5.039108 2.582540 5.026016 6.544373 5.766722 3.498209 4.073505 2.410100 4.388974 4.350395 5.833709 6.269805 6.737771 7.688512 8.136453 8.045533 8.159515 2.129575 2.740199 1.110913 2.522943 3.201990 3.711430 1.775243 0.000000 2.749556 2.672531 3.768711 4.358357 3.861139 2.350846 4.354455 5.358479 4.523809 2.357054 3.133807 1.483869 3.010563 2.963044 4.419607 5.003170 5.239221 6.398809 6.907675 6.881972 6.710712 2.095386 3.357617 1.098203 3.691253 3.733967 4.178787 1.779250 1.788415 0.000000 1.650000 2.702421 3.871030 3.895577 2.771339 2.921347 4.833616 4.875445 3.068020 1.240877 1.937079 1.290835 1.833476 2.253600 3.032200 3.399737 4.032787 4.756699 5.009540 5.191368 5.419914 1.455214 2.538575 2.554223 3.296480 3.271213 2.613903 3.312603 3.284859 2.645773 0.000000 2.772609 4.021830 5.041647 4.767277 3.451798 4.338241 6.067121 5.601135 3.315762 1.876512 1.796145 2.469026 2.328573 3.102229 2.839750 2.686390 3.923634 3.879912 4.082480 4.125534 4.744378 2.432380 2.908198 3.730515 3.862022 3.432973 2.504777 4.237888 4.523750 3.941324 1.455214 0.000000 3.754205 5.055594 5.989233 5.561619 4.201872 5.407670 7.037762 6.288551 3.838858 2.185263 1.454285 3.081733 2.636155 3.675080 2.603769 1.829213 3.755079 2.927572 3.429798 2.945600 3.781028 3.248289 3.645557 4.330058 4.729005 3.757669 3.349489 4.526607 5.297618 4.473936 2.538575 1.440030 0.000000 3.612942 4.776578 5.712459 5.386714 4.134373 5.098672 6.710065 6.140250 3.907599 3.285963 3.186664 3.730733 3.529716 4.122185 3.794538 3.559467 4.687092 4.423671 4.322140 4.567242 5.427434 3.447052 3.515911 4.853793 4.296450 4.144270 2.700665 5.427510 5.464151 5.167939 2.554223 1.438712 2.408230 0.000000 4.201549 5.579033 6.325653 5.671069 4.302866 6.082806 7.404801 6.239724 3.692939 2.979165 2.424265 3.979009 2.968183 3.958969 2.357006 1.294348 3.305370 1.985792 2.379448 2.022880 2.978871 4.245533 4.692344 5.318013 5.754248 4.847861 4.283853 5.563608 6.286475 5.333544 3.296480 2.111575 1.108398 2.663796 0.000000 4.690882 5.923966 6.957977 6.618011 5.265807 6.148017 7.983573 7.376782 4.933998 2.979661 2.026250 3.689162 3.680114 4.714302 3.679974 2.733649 4.813581 3.566351 4.115139 3.240213 4.437720 3.613035 3.595225 4.712359 4.683724 3.455805 3.214607 4.723983 5.638783 5.059351 3.271213 2.131145 1.109348 2.757004 1.779159 0.000000 3.659372 4.872586 5.772020 5.387821 4.106980 5.208689 6.786759 6.115947 3.829683 1.745901 0.929732 2.713707 2.267451 3.351403 2.339776 1.722807 3.518245 2.980931 3.718801 3.119973 3.560240 3.156628 3.811990 3.915852 4.886610 3.800788 3.828245 3.983208 4.980679 3.904281 2.613903 2.093150 1.097983 3.354088 1.780067 1.785022 0.000000 4.593965 5.712938 6.735967 6.471102 5.207982 5.916423 7.714856 7.241542 4.968697 3.928322 3.564731 4.323354 4.403928 5.100859 4.617777 4.116254 5.575355 4.864800 4.839545 4.758375 5.917930 3.862513 3.526041 5.292504 4.299626 3.962210 2.544553 5.708673 5.881962 5.775057 3.312603 2.112601 2.677134 1.108207 2.990276 2.558011 3.705913 0.000000 4.010942 5.250074 5.974492 5.411789 4.162970 5.738863 6.999559 6.000392 3.701993 3.875017 3.785964 4.497677 3.775243 4.335160 3.644535 3.383277 4.330866 3.944122 3.601962 4.142585 4.972947 4.395176 4.603289 5.747919 5.396450 5.193852 3.808477 6.337836 6.406425 5.915869 3.284859 2.129575 2.740199 1.110913 2.522943 3.201990 3.711430 1.775243 0.000000 3.470939 4.408832 5.344919 5.181866 4.097731 4.655631 6.259634 5.975240 4.075213 3.681971 3.833609 3.861194 3.897570 4.236992 4.411278 4.437219 5.214061 5.362893 5.180044 5.606451 6.322673 3.447091 3.483173 4.819527 4.017060 4.328604 2.669197 5.545113 5.227422 5.168247 2.645773 2.095386 3.357617 1.098203 3.691253 3.733967 4.178787 1.779250 1.788415 0.000000 C11H22BN4O2(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 0 230.9543 AuxInfo=1/0/N:34,23,24,18,3,4,33,10,15,13,1,31,2,32,5,22,17,16,35,12,14/E:(2,3)/CRV:5.3,6.3,9.3,10.5,11.5,12.6,15.4,16.4,17.1,18.3,19.2,20.3,21.3/rA:40nC5NC3C3N4HHHHCHH3C5H3C3O3O1CHHHN4CCHHHHHHB6NCCH2HHHHH/rB:s1;s2;s3;s1s4;s2;s3;s4;s5;;s10;s10;s1s10;s1s5s13;s13;s15;s15;s16;s18;s18;s18;s12;s22;s22;s23;s23;s23;s24;s24;s24;s1s10s12s13s22;s31;s32;s32;s16s33;s33;s33;s34;s34;s34;/rC:-1.1468,.8632,.3339;-2.4479,1.346,.2028;-2.4651,2.7253,.28;-1.1857,3.1334,.47;-.3811,2.0125,.5002;-3.232,.7378,.0246;-3.3792,3.3054,.1989;-.7856,4.1358,.5889;.6284,2.0028,.6452;-.1789,-.6682,-.8358;.5164,-1.4945,-1.0014;-1.2487,-.8823,-.8872;.2598,.5632,-.5765;-.4246,1.3972,-.4056;1.6934,.9337,-.5012;2.5213,-.1086,-.542;2.0915,2.0758,-.4253;3.9018,.1817,-.3889;4.0818,.6711,.579;4.4232,-.7807,-.4335;4.2546,.844,-1.192;-1.6108,-1.7082,-.3231;-1.72,-3.0592,.1634;-2.4776,-1.4261,-1.4362;-2.7676,-3.3076,.4271;-1.3921,-3.8122,-.5823;-1.1107,-3.1908,1.0672;-2.2958,-2.1236,-2.278;-3.5532,-1.5256,-1.1768;-2.3094,-.4071,-1.8096;-.7187,-.7294,.2798;.5172,-1.3082,.7851;1.6269,-1.6337,-.0729;.7622,-1.5908,2.1743;2.5539,-1.1247,.2591;1.85,-2.7203,-.0933;1.4223,-1.3112,-1.1023;1.0324,-2.6542,2.3297;1.6005,-.9928,2.5912;-.1343,-1.3869,2.7751; 0.5473672 0.4726268 0.3036237 -19.28117 -19.21366 -14.50818 -14.47427 -14.39568 -14.38597 -10.41843 -10.39524 -10.35147 -10.34602 -10.33947 -10.32984 -10.30346 -10.29024 -10.25614 -10.25002 -10.16246 -6.81222 -1.22065 -1.20269 -1.10614 -1.10033 -1.04870 -0.99966 -0.93959 -0.87576 -0.84659 -0.81450 -0.81428 -0.78743 -0.77550 -0.74571 -0.72377 -0.69717 -0.67950 -0.66629 -0.64124 -0.63371 -0.62090 -0.59987 -0.58753 -0.57487 -0.56424 -0.55018 -0.54237 -0.53236 -0.52465 -0.52092 -0.49801 -0.49676 -0.48993 -0.47583 -0.47106 -0.46775 -0.46568 -0.45569 -0.44516 -0.43048 -0.41232 -0.39299 -0.38919 -0.36013 -0.34200 -0.31009 -0.28657 -0.23940 -0.23162 -0.22236 -0.17727 0.04678 0.09592 0.11432 0.12287 0.14195 0.15314 0.16387 0.17866 0.18412 0.18752 0.19630 0.19865 0.20124 0.20760 0.21394 0.21650 0.22463 0.22774 0.23250 0.24223 0.24520 0.24928 0.25897 0.26698 0.27112 0.27828 0.28777 0.29694 0.30519 0.30929 0.31895 0.32478 0.33678 0.35725 0.37931 0.38043 0.41015 0.41821 0.43076 0.43541 0.46138 0.46634 0.47912 0.50077 0.50438 0.51195 0.51907 0.53337 0.54284 0.54648 0.55910 0.56914 0.57818 0.58193 0.58902 0.59417 0.60936 0.62244 0.63421 0.64163 0.65056 0.65773 0.66711 0.67247 0.68067 0.68728 0.69846 0.70288 0.70617 0.71484 0.72022 0.72767 0.73485 0.73896 0.73953 0.74411 0.75553 0.75780 0.76382 0.76975 0.77570 0.78048 0.78310 0.78603 0.79300 0.79889 0.80038 0.81421 0.81821 0.82366 0.83575 0.84677 0.85872 0.86987 0.87556 0.88762 0.89207 0.90410 0.91644 0.93419 0.94210 0.94928 0.98731 0.99078 1.00362 1.01737 1.02738 1.03935 1.05731 1.06029 1.07134 1.08398 1.10590 1.14015 1.15840 1.16949 1.17158 1.17798 1.19445 1.20554 1.21728 1.23019 1.23842 1.24354 1.25648 1.27868 1.29666 1.30850 1.31659 1.33926 1.35094 1.37061 1.37339 1.39537 1.40374 1.44465 1.46316 1.46477 1.50653 1.51105 1.53936 1.55887 1.56635 1.58808 1.59872 1.59981 1.60651 1.62561 1.64165 1.64653 1.65366 1.65638 1.67685 1.69629 1.69973 1.70527 1.71733 1.73364 1.74150 1.75557 1.76622 1.79734 1.80539 1.82196 1.82739 1.83430 1.85683 1.86380 1.86656 1.87115 1.88142 1.89158 1.89723 1.90147 1.91188 1.92107 1.93513 1.94118 1.94681 1.95271 1.96500 1.97147 1.97808 1.99091 1.99923 2.00213 2.01234 2.01504 2.02410 2.02867 2.05185 2.05542 2.07187 2.08006 2.08440 2.09592 2.11268 2.12141 2.13497 2.13880 2.14979 2.16523 2.18746 2.19270 2.21032 2.21588 2.23119 2.23776 2.25599 2.26430 2.28072 2.29050 2.33247 2.33965 2.35652 2.37075 2.38993 2.40206 2.40813 2.43364 2.44392 2.44933 2.45447 2.46606 2.48111 2.49852 2.51169 2.51794 2.53608 2.55973 2.56682 2.58216 2.58946 2.61076 2.61688 2.64991 2.68075 2.70901 2.73333 2.74205 2.74945 2.75201 2.76440 2.76766 2.78201 2.78971 2.80989 2.82113 2.83721 2.84332 2.87638 2.88180 2.91187 2.92534 2.93556 2.96347 2.97209 2.97389 2.98108 3.00082 3.02176 3.02744 3.04778 3.05288 3.06195 3.07360 3.08168 3.10159 3.11835 3.13345 3.16076 3.17454 3.18847 3.20394 3.20684 3.26450 3.27342 3.29137 3.30889 3.34365 3.36801 3.43165 3.44842 3.47300 3.49617 3.53388 3.61622 3.65698 3.71708 3.72659 3.75956 3.82633 3.85142 -19.28012 -19.21029 -14.50803 -14.47430 -14.39563 -14.38472 -10.41744 -10.39422 -10.35150 -10.34570 -10.33965 -10.32974 -10.30349 -10.28973 -10.25607 -10.24716 -10.15805 -6.81069 -1.21773 -1.20100 -1.10060 -1.09524 -1.04716 -0.99611 -0.93667 -0.87172 -0.84339 -0.81327 -0.81240 -0.78510 -0.77354 -0.74404 -0.72149 -0.69331 -0.67520 -0.66344 -0.63793 -0.63139 -0.61820 -0.59805 -0.58347 -0.57278 -0.56208 -0.54919 -0.54144 -0.53151 -0.52129 -0.51597 -0.49596 -0.49370 -0.48480 -0.47278 -0.46692 -0.46514 -0.46097 -0.45353 -0.44431 -0.42824 -0.40588 -0.38870 -0.38281 -0.35282 -0.32539 -0.30396 -0.27819 -0.22847 -0.22516 -0.21611 0.03217 0.05631 0.09844 0.11580 0.13691 0.14540 0.15356 0.16459 0.17965 0.18491 0.18772 0.19884 0.19957 0.20220 0.20824 0.21559 0.21737 0.22541 0.22926 0.23361 0.24350 0.24594 0.24995 0.25976 0.26785 0.27237 0.28042 0.28917 0.29814 0.30671 0.31217 0.32120 0.32696 0.33765 0.35826 0.38205 0.38311 0.41236 0.42022 0.43148 0.43923 0.46411 0.46947 0.48397 0.50387 0.50540 0.51470 0.52017 0.53452 0.54401 0.54811 0.56067 0.57118 0.58031 0.58403 0.59236 0.59596 0.61046 0.62470 0.63624 0.64259 0.65194 0.65874 0.66921 0.67420 0.68248 0.68919 0.69953 0.70373 0.70763 0.71583 0.72109 0.72839 0.73563 0.73979 0.73999 0.74512 0.75637 0.75860 0.76478 0.77046 0.77662 0.78149 0.78509 0.78736 0.79401 0.80046 0.80413 0.81631 0.81984 0.82467 0.83709 0.84818 0.86029 0.87164 0.87797 0.89052 0.89449 0.90573 0.91846 0.93594 0.94428 0.95130 0.98945 0.99376 1.00542 1.01958 1.02926 1.04225 1.05932 1.06365 1.07323 1.08724 1.10780 1.14203 1.16044 1.17130 1.17336 1.18259 1.19658 1.20751 1.21944 1.23271 1.23977 1.24671 1.25929 1.28035 1.30011 1.31069 1.31861 1.34060 1.35320 1.37223 1.37593 1.39605 1.40630 1.44653 1.46500 1.46773 1.50825 1.51321 1.54226 1.56047 1.56808 1.58951 1.59907 1.60209 1.60783 1.62785 1.64305 1.64812 1.65485 1.65856 1.67914 1.69758 1.70072 1.70702 1.71943 1.73466 1.74371 1.75653 1.76779 1.79941 1.80703 1.82344 1.82915 1.83559 1.85979 1.86473 1.86782 1.87211 1.88263 1.89261 1.89897 1.90265 1.91233 1.92194 1.93587 1.94250 1.94817 1.95363 1.96694 1.97249 1.97939 1.99204 2.00027 2.00325 2.01388 2.01626 2.02538 2.03036 2.05355 2.05819 2.07370 2.08121 2.08681 2.09952 2.11378 2.12291 2.13595 2.14188 2.15145 2.16684 2.18898 2.19526 2.21180 2.21804 2.23369 2.24018 2.25744 2.26528 2.28349 2.29212 2.33485 2.34101 2.35817 2.37321 2.39183 2.40421 2.40938 2.43502 2.44725 2.45398 2.45692 2.47010 2.48260 2.50037 2.51406 2.51975 2.53774 2.56252 2.56863 2.58503 2.59103 2.61342 2.61997 2.65164 2.68453 2.71189 2.73578 2.74435 2.75208 2.75394 2.76644 2.76896 2.78487 2.79355 2.81190 2.82397 2.84029 2.84810 2.88032 2.88490 2.91372 2.92731 2.93777 2.96781 2.97488 2.97597 2.98404 3.00353 3.02345 3.02984 3.04931 3.05566 3.06378 3.07531 3.08373 3.10334 3.12154 3.13565 3.16228 3.17640 3.18999 3.20612 3.20784 3.26773 3.27512 3.29349 3.31227 3.34846 3.37020 3.43522 3.45082 3.47445 3.49872 3.53596 3.61884 3.65785 3.71973 3.72912 3.76157 3.82950 3.85523 2-A. -2.7450 1.1632 0.2492 2.9917 -92.2696 -111.1233 -112.5413 -7.2654 1.5125 4.6586 13.0418 -5.8119 -7.2299 -7.2654 1.5125 4.6586 14.0023 34.8099 -5.3903 -25.0406 10.6529 -11.7345 7.9874 -2.6020 5.3470 4.4367 -2150.9915 -2090.8970 -612.9056 -73.3514 -22.1759 -56.9074 43.6046 -9.2306 3.0857 -798.6869 -518.3397 -476.3759 13.0249 5.3761 24.7016 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 230.9543 AuxInfo=1/0/N:23,24,33,34,18,13,10,3,4,15,1,31,2,5,22,32,17,16/E:(1,2,3,4)(8,9)(13,14)(15,16)/CRV:6.3,8.3,9.3,10.3,11.3,12.4,17.1/rA:40nC3NC3C3NHHHHCHHC3HC3OO1CHHHNCCHHHHHHB4NCCHHHHHH/rB:s1;s2;s3;s1s4;s2;s3;s4;s5;;s10;s10;s10;s13;s13;s15;s15;s16;s18;s18;s18;;s22;s22;s23;s23;s23;s24;s24;s24;s1s10s22;s31;s32;s32;s33;s33;s33;s34;s34;s34;/rC:1.7138,.3188,-.1727;2.9587,.1663,-.634;3.4299,1.3232,-1.2095;2.4216,2.2314,-1.089;1.3844,1.5906,-.4483;3.3508,-.7768,-.5687;4.4199,1.4116,-1.6449;2.3618,3.2695,-1.4009;.4483,1.9881,-.2493;.1835,-.5785,1.9415;-.6031,-1.3244,2.1318;.9294,-.66,2.743;-.3381,.7848,1.8779;.3124,1.6134,2.1742;-1.3969,1.1868,.9731;-2.4712,.4006,.967;-1.3005,2.1659,.2352;-3.4138,.6339,-.0621;-2.9363,.5272,-1.0477;-4.1968,-.1229,.0612;-3.8447,1.6427,.0146;1.9857,-2.0736,.5584;1.6246,-3.4326,.2327;2.8302,-2.0334,1.7301;2.5254,-4.0707,.1714;.9499,-3.9059,.9804;1.1228,-3.4835,-.7426;2.3438,-2.4364,2.6457;3.7524,-2.6258,1.5782;3.1389,-1.0002,1.961;.8741,-.9861,.4314;-.2311,-1.2613,-.5868;-1.3044,-2.1856,-.3189;.0622,-1.2328,-1.9968;-2.2144,-1.9021,-.8824;-1.0748,-3.234,-.6097;-1.5795,-2.1934,.7425;.4801,-2.1878,-2.3912;-.8534,-1.0312,-2.5854;.7832,-.4423,-2.2526; 0.000000 1.336366 0.000000 2.242468 1.375333 0.000000 2.235771 2.181825 1.362436 0.000000 1.342340 2.131119 2.198906 1.377316 0.000000 2.009236 1.023424 2.196938 3.191166 3.079918 0.000000 3.268743 2.169760 1.085145 2.230372 3.267802 2.662726 0.000000 3.261144 3.251855 2.228437 1.085586 2.163710 4.247745 2.783420 0.000000 2.096070 3.125494 3.202163 2.158256 1.036203 4.021274 4.248949 2.574830 0.000000 2.759861 3.858683 4.907545 4.699879 3.443591 4.046238 5.896595 5.542947 3.384830 0.000000 3.657728 4.749558 5.868470 5.671541 4.370833 4.819358 6.854197 6.509602 4.212762 1.100613 0.000000 3.174035 4.025485 5.080066 5.027031 3.931449 4.104138 5.977330 5.887675 4.024561 1.097841 1.778642 0.000000 2.938066 4.190567 4.900974 4.302471 3.004561 4.693848 5.953298 4.920787 2.567340 1.461063 2.140824 2.107662 0.000000 3.024567 4.121062 4.610051 3.934391 2.833247 4.740113 5.612336 4.441230 2.456066 2.208033 3.077441 2.423334 1.094389 0.000000 3.426739 4.753457 5.299078 4.463658 3.149409 5.364095 6.382771 4.909308 2.353941 2.559726 2.877303 3.457599 1.449625 2.132268 0.000000 4.338178 5.665865 6.357008 5.614158 4.276073 6.135182 7.438548 6.098851 3.538828 2.992686 2.796789 3.980353 2.351077 3.267590 1.331318 0.000000 3.558585 4.784780 5.017322 3.951108 2.829540 5.562341 6.068468 4.160146 1.823342 3.556077 4.033041 4.387123 2.352046 2.581954 1.229782 2.241129 0.000000 5.138461 6.415198 6.973395 6.136651 4.907854 6.928702 8.029791 6.488181 4.096955 4.292519 4.067961 5.329765 3.639562 4.454832 2.333508 1.414917 2.627104 0.000000 4.736232 5.920481 6.417790 5.622503 4.489759 6.438726 7.433191 5.976148 3.771873 4.459959 4.356734 5.542731 3.921174 4.702593 2.624506 2.071495 2.647032 1.100334 0.000000 5.931699 7.195032 7.865926 7.118219 5.860491 7.602049 8.917044 7.527388 5.111755 4.788640 4.318090 5.810237 4.360504 5.273804 3.222796 2.017963 3.695639 1.095919 1.800326 0.000000 5.717014 6.991890 7.383787 6.389887 5.249763 7.613755 8.432742 6.570432 4.314975 4.987350 4.877905 5.961415 4.062523 4.684700 2.667987 2.082399 2.606829 1.099623 1.788258 1.800954 0.000000 2.516423 2.717680 4.092586 4.630081 3.847306 2.194468 4.788178 5.703494 4.417380 2.719593 3.120755 2.808294 3.913000 4.359511 4.716423 5.113989 5.373725 6.072146 5.793958 6.502046 6.935456 0.000000 3.774309 3.934823 5.287335 5.870531 5.074831 3.267303 5.899569 6.937604 5.567698 3.625276 3.607527 3.804262 4.934072 5.563630 5.569263 5.657567 6.316556 6.481445 6.174216 6.698709 7.464536 1.443358 0.000000 3.224946 3.231744 4.501921 5.128695 4.468728 2.671080 5.077977 6.176095 5.075790 3.027594 3.528741 2.554474 4.242911 4.453786 5.367655 5.883196 6.077130 7.022460 6.893870 7.470947 7.810980 1.444883 2.377730 0.000000 4.477228 4.334632 5.640857 6.427837 5.808355 3.475543 6.078180 7.508580 6.418744 4.562136 4.601445 4.559967 5.889610 6.420158 6.608253 6.752153 7.316879 7.580412 7.242741 7.796539 8.558386 2.104629 1.105622 2.583237 0.000000 4.445437 4.819207 6.187857 6.641975 5.695790 4.237440 6.870916 7.691008 6.041760 3.547212 3.225223 3.693686 4.946412 5.682874 5.607460 5.499997 6.518159 6.382710 6.234433 6.453299 7.396487 2.146719 1.112869 2.757558 1.778719 0.000000 3.889950 4.086984 5.352080 5.870885 5.089355 3.510094 5.970519 6.897229 5.534982 4.065159 3.987831 4.489860 5.217183 5.928174 5.577095 5.561040 6.224421 6.164142 5.714422 6.343324 7.178207 2.103577 1.097978 3.336536 1.774180 1.782449 0.000000 3.991486 4.231863 5.493309 5.978567 5.168216 3.755124 6.125907 6.995256 5.616930 2.935043 3.191439 2.272829 4.261257 4.555241 5.469803 5.835355 6.346080 7.064700 7.092520 7.403557 7.865107 2.148667 2.707891 1.112363 2.970892 2.622207 3.750768 0.000000 3.986552 3.649593 4.844517 5.698950 5.243327 2.861699 5.209072 6.750119 5.961906 4.130398 4.579401 3.631885 5.334244 5.491827 6.435667 6.947380 7.091930 8.041847 7.846983 8.470912 8.853302 2.113294 2.643644 1.106542 2.360575 3.138506 3.610632 1.777536 0.000000 2.885087 2.850833 3.941407 4.501215 3.949127 2.548390 4.523321 5.489757 4.588508 2.985363 3.759931 2.368359 3.909312 3.855617 5.131557 5.867194 5.719329 7.049957 6.949328 7.628388 7.716501 2.109361 3.346170 1.102778 3.606552 3.767857 4.188214 1.778663 1.779195 0.000000 1.665212 2.609326 3.815410 3.880614 2.770184 2.679165 4.757390 4.866353 3.080679 1.709833 2.277738 2.335112 2.588040 3.179754 3.189492 3.660775 3.834413 4.610300 4.358583 5.157237 5.417749 1.560238 2.566661 2.570923 3.508408 2.971915 2.770705 3.027615 3.505420 2.732964 0.000000 2.539795 3.494960 4.524341 4.414478 3.280541 3.614535 5.467657 5.283335 3.336700 2.651519 2.744704 3.577111 3.205054 4.022761 3.128175 3.192836 3.683009 3.741248 3.275546 4.176492 4.674711 2.624049 2.971484 3.916106 4.008269 3.293196 2.606802 4.296565 4.734687 4.232775 1.527729 0.000000 3.924656 4.879019 5.959725 5.829769 4.637449 4.870143 6.889558 6.661087 4.527279 3.147387 2.690605 4.085617 3.818684 4.823084 3.612573 3.114948 4.386596 3.530589 3.248603 3.572842 4.606503 3.406926 3.230848 4.617005 4.296704 3.119224 2.784836 4.707599 5.418859 5.132852 2.597627 1.441618 0.000000 2.909070 3.493505 4.300503 4.288546 3.481053 3.614208 5.109428 5.090578 3.684691 3.994195 4.182937 4.852428 4.386830 5.055841 4.099252 4.227330 4.288324 4.394373 3.604088 4.858673 5.251484 3.307007 3.500124 4.710965 4.338520 4.098504 2.786315 5.311132 5.323433 5.018465 2.572261 1.440489 2.364552 0.000000 4.567988 5.576795 6.509012 6.214568 5.033729 5.686470 7.454912 6.925015 4.756497 3.934011 3.466326 4.956765 4.284713 5.299682 3.694924 2.964530 4.316576 2.922842 2.539718 2.825982 4.003527 4.443652 4.280580 5.682458 5.317779 4.183030 3.695492 5.788812 6.494652 6.128299 3.479074 2.105122 1.107215 2.621593 0.000000 4.537551 5.275547 6.435791 6.505760 5.417565 5.062148 7.269425 7.398071 5.451544 3.891466 3.374155 4.677879 4.783394 5.759497 4.706613 4.200674 5.470204 4.553180 4.219424 4.458261 5.643044 3.475271 2.834729 4.707981 3.777775 2.660674 2.215652 4.787571 5.334637 5.417884 3.151963 2.145686 1.111948 2.687314 1.773934 0.000000 4.242009 5.296995 6.424226 6.240390 4.951910 5.294708 7.395181 7.069080 4.751905 2.674664 1.907538 3.556374 3.420480 4.485672 3.393022 2.752159 4.397608 3.464997 3.528127 3.406168 4.514091 3.571955 3.472985 4.521772 4.549763 3.063798 3.342440 4.367334 5.414262 5.017144 2.752193 2.110524 1.096473 3.334982 1.768705 1.779297 0.000000 3.567449 3.843561 4.735465 4.999450 4.343827 3.681490 5.388375 5.856927 4.693235 4.631415 4.730367 5.375459 5.265963 5.943099 5.121450 5.165950 5.387260 5.343143 4.565956 5.670234 6.258126 3.313606 3.121512 4.746779 3.780964 3.813171 2.193083 5.376409 5.162906 5.236530 3.092929 2.149404 2.734776 1.114525 3.101315 2.585697 3.749926 0.000000 3.772759 4.446780 5.077668 4.858922 4.055667 4.669780 5.887217 5.498756 4.033315 4.666132 4.732896 5.630913 4.845995 5.568378 4.228160 4.157688 4.286791 3.961713 3.021855 4.359792 4.780932 4.362386 4.455131 5.761652 5.315525 4.922447 3.648912 6.289759 6.410231 6.050530 3.476671 2.105790 2.583217 1.106918 2.347513 2.967227 3.598994 1.775834 0.000000 2.402357 2.779064 3.348142 3.344698 2.783828 3.088705 4.126963 4.122473 3.167352 4.239000 4.682244 5.002482 4.452428 4.903550 4.220423 4.654845 4.163332 4.855061 4.028202 5.500589 5.559213 3.465445 3.978250 4.752288 4.698623 4.741015 3.412389 5.514172 5.315926 4.859581 2.740102 2.115280 3.337175 1.100078 3.604730 3.734285 4.197590 1.777041 1.770861 0.000000 C11H22BN4O2(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 0 230.9543 AuxInfo=1/0/N:23,24,33,34,18,13,10,3,4,15,1,31,2,5,22,32,17,16/E:(1,2,3,4)(8,9)(13,14)(15,16)/CRV:6.3,8.3,9.3,10.3,11.3,12.4,17.1/rA:40nC3NC3C3NHHHHCHHC3HC3OO1CHHHNCCHHHHHHB4NCCHHHHHH/rB:s1;s2;s3;s1s4;s2;s3;s4;s5;;s10;s10;s10;s13;s13;s15;s15;s16;s18;s18;s18;;s22;s22;s23;s23;s23;s24;s24;s24;s1s10s22;s31;s32;s32;s33;s33;s33;s34;s34;s34;/rC:-1.0445,.9592,.0038;-2.3058,1.277,.3105;-2.4358,2.6174,.5897;-1.1893,3.147,.4412;-.3579,2.1102,.0796;-2.9653,.4967,.3693;-3.3788,3.0807,.8612;-.8335,4.1658,.559;.6673,2.1672,-.06;.2834,-.7822,-1.6757;.8115,-1.7458,-1.6138;-.3895,-.8191,-2.5424;1.1963,.3522,-1.7969;.8589,1.247,-2.329;2.2577,.6204,-.8467;3.0313,-.4207,-.5468;2.4156,1.7227,-.3249;3.921,-.249,.5399;3.3625,.0055,1.4532;4.4373,-1.2071,.6686;4.6482,.5503,.336;-1.9908,-1.3529,-.298;-2.0945,-2.6521,.3221;-2.6921,-1.3292,-1.561;-3.1508,-2.9739,.3774;-1.5467,-3.4518,-.2245;-1.7067,-2.6301,1.3491;-2.2886,-2.0459,-2.3099;-3.7612,-1.5823,-1.429;-2.6469,-.3279,-2.0209;-.6092,-.6317,-.2252;.2776,-.9831,.9681;1.0277,-2.2128,1.0271;-.0957,-.5626,2.2944;1.9365,-2.0871,1.6471;.4632,-3.06,1.4743;1.3644,-2.5323,.0337;-.8173,-1.2458,2.799;.7911,-.5094,2.9547;-.5525,.4381,2.2968; 0.5333272 0.3889515 0.2991206 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 379 379 379 379 379 MxSgAt= 40 MxSgA2= 40. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 379 379 379 379 379 MxSgAt= 40 MxSgA2= 40. 1 0.7558 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 C N C C N H H H H C H H C H C O O C H H H N C C H H H H H H B N C C H H H H H H 13 14 13 13 14 1 1 1 1 13 1 1 13 1 13 17 17 13 1 1 1 14 13 13 1 1 1 1 1 1 11 14 13 13 1 1 1 1 1 1 0.02628 0.00709 -0.00248 0.01032 0.00181 -0.00014 0.00061 -0.00040 -0.00024 0.04434 -0.00361 0.00928 0.02237 0.00007 -0.00084 0.04250 0.05364 -0.00158 0.00078 -0.00007 0.00069 -0.00206 -0.00303 0.01270 -0.00008 0.00035 0.00032 -0.00012 0.00203 0.00162 0.05762 0.06185 0.00801 0.03243 -0.00038 0.00213 0.00051 -0.00044 0.00174 -0.00023 29.54843 2.29030 -2.78441 11.60263 0.58554 -0.61907 2.72663 -1.80025 -1.07802 49.84480 -16.12981 41.47850 25.14618 0.31842 -0.94401 -25.76265 -32.51534 -1.77192 3.48134 -0.32219 3.07736 -0.66561 -3.40645 14.27948 -0.36361 1.54867 1.45120 -0.52458 9.08318 7.24361 82.64844 19.98497 9.00829 36.45428 -1.70552 9.50709 2.29236 -1.97039 7.77502 -1.04950 10.54362 0.81724 -0.99355 4.14011 0.20893 -0.22090 0.97293 -0.64237 -0.38466 17.78586 -5.75552 14.80056 8.97278 0.11362 -0.33685 -9.19275 -11.60228 -0.63226 1.24223 -0.11497 1.09808 -0.23751 -1.21551 5.09527 -0.12975 0.55260 0.51782 -0.18718 3.24110 2.58470 29.49102 7.13113 3.21438 13.00779 -0.60857 3.39236 0.81797 -0.70308 2.77432 -0.37449 9.85630 0.76396 -0.92878 3.87022 0.19531 -0.20650 0.90951 -0.60050 -0.35959 16.62643 -5.38033 13.83574 8.38786 0.10621 -0.31489 -8.59349 -10.84595 -0.59105 1.16125 -0.10747 1.02650 -0.22202 -1.13627 4.76312 -0.12129 0.51658 0.48407 -0.17498 3.02982 2.41621 27.56855 6.66627 3.00484 12.15984 -0.56890 3.17122 0.76465 -0.65725 2.59347 -0.35008 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 -0.039253 -0.003538 0.008257 -0.004605 -0.003100 0.004491 0.000484 -0.001776 -0.005544 -0.173968 -0.000747 0.028477 -0.145120 0.003489 -0.058256 -0.062460 -0.265909 0.006683 0.003914 0.003172 0.004062 -0.001725 -0.000253 0.005037 0.000682 -0.001324 -0.001343 0.001008 0.003388 0.009916 -0.026375 0.034167 0.005149 -0.017581 0.002194 0.000259 0.005952 -0.003047 -0.000974 -0.002038 -0.017539 -0.005205 0.008641 -0.005023 0.000965 -0.002193 0.000788 0.003415 0.008377 -0.178633 0.005992 -0.025353 -0.084323 0.000785 -0.057414 -0.070353 -0.266263 -0.002495 -0.001918 -0.001063 -0.001817 -0.006976 0.000448 0.000168 0.000567 0.003164 0.003097 0.000309 -0.001340 -0.005091 -0.042082 0.006287 0.006481 -0.012019 0.003665 0.002715 0.000255 0.002277 -0.002126 -0.003425 0.056792 0.008743 -0.016898 0.009628 0.002135 -0.002299 -0.001272 -0.001639 -0.002833 0.352601 -0.005244 -0.003124 0.229443 -0.004274 0.115670 0.132813 0.532172 -0.004187 -0.001996 -0.002108 -0.002245 0.008701 -0.000195 -0.005205 -0.001249 -0.001840 -0.001754 -0.001316 -0.002048 -0.004824 0.068458 -0.040453 -0.011630 0.029599 -0.005859 -0.002974 -0.006207 0.000770 0.003100 0.005462 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 0.009794 -0.006858 -0.002699 -0.008211 -0.011147 -0.000743 -0.000757 -0.000544 0.000105 -0.036050 -0.027011 0.020921 0.012787 -0.014939 0.011868 0.014002 -0.016500 -0.001194 -0.000196 -0.001690 -0.000269 0.012634 0.003503 0.006709 0.002010 0.001924 0.003341 0.003698 0.001804 0.000524 0.006748 0.084512 0.000932 -0.003856 -0.001626 -0.004116 -0.006556 -0.001498 0.001119 0.000280 -0.020404 0.017817 0.001987 -0.015104 -0.012935 0.000179 -0.000198 -0.000944 -0.001999 0.151842 -0.008654 -0.021759 -0.017925 -0.018768 -0.019469 -0.046486 0.113721 -0.000526 0.002461 -0.000048 -0.001552 -0.009695 0.000081 0.001997 -0.000324 0.000300 -0.000541 0.002925 0.000470 0.006252 -0.051121 0.056651 0.004341 0.007204 0.001874 0.000116 -0.004240 0.001763 0.003634 -0.002449 -0.053633 -0.014655 0.003486 0.009670 0.008806 0.000492 0.000376 0.001739 0.009299 -0.141043 0.011855 -0.013235 -0.140508 0.001173 -0.028498 -0.074164 -0.120231 0.000081 -0.000294 -0.000110 -0.000050 -0.006303 -0.002579 -0.000330 -0.000802 0.000052 -0.002323 0.002866 0.000182 -0.000857 -0.026024 0.035606 0.005047 -0.016620 -0.005376 -0.000233 0.003682 -0.004115 -0.001560 -0.002107 0.2811 0.8265 0.4877 0.9438 -0.3302 0.0155 -0.1739 -0.4559 0.8729 -0.0459 -0.043 0.0889 -6.154 -5.772 11.926 -2.196 -2.06 4.255 -2.053 -1.925 3.978 1 C 13 -0.6183 0.4318 0.6567 0.6038 0.7958 0.0452 0.5031 -0.4245 0.7528 -0.0177 -0.0112 0.0289 -0.682 -0.434 1.115 -0.243 -0.155 0.398 -0.227 -0.145 0.372 2 N 14 -0.0905 -0.1404 0.9859 0.749 0.6429 0.1603 -0.6564 0.753 0.047 -0.0176 0.0064 0.0112 -2.359 0.854 1.504 -0.842 0.305 0.537 -0.787 0.285 0.502 3 C 13 0.8569 0.3219 0.4027 -0.0892 0.8619 -0.4991 -0.5077 0.3917 0.7673 -0.0148 -0.0098 0.0246 -1.984 -1.311 3.296 -0.708 -0.468 1.176 -0.662 -0.437 1.099 4 C 13 0.8248 0.3264 0.4617 0.0562 0.7651 -0.6414 -0.5626 0.555 0.6128 -0.0148 -0.0072 0.022 -0.569 -0.279 0.848 -0.203 -0.1 0.303 -0.19 -0.093 0.283 5 N 14 -0.0882 -0.6923 0.7162 0.0647 0.7135 0.6977 0.994 -0.1078 0.0181 -0.0028 -0.0018 0.0046 -1.492 -0.949 2.441 -0.532 -0.339 0.871 -0.498 -0.317 0.814 6 H 1 0.041 -0.1595 0.9864 0.7831 0.6182 0.0674 -0.6205 0.7697 0.1502 -0.0013 -1.0E-4 0.0015 -0.715 -0.07 0.785 -0.255 -0.025 0.28 -0.239 -0.023 0.262 7 H 1 0.629 -0.1583 0.7611 0.7651 0.2996 -0.57 -0.1377 0.9408 0.3096 -0.0028 -0.0013 0.0041 -1.484 -0.686 2.17 -0.53 -0.245 0.774 -0.495 -0.229 0.724 8 H 1 0.462 -0.4203 0.781 0.8856 0.265 -0.3813 -0.0467 0.8679 0.4946 -0.009 -0.0047 0.0137 -4.812 -2.482 7.294 -1.717 -0.886 2.603 -1.605 -0.828 2.433 9 H 1 0.7478 -0.5695 -0.3411 0.6147 0.7882 0.0316 0.2509 -0.2333 0.9395 -0.2158 -0.2124 0.4282 -28.955 -28.501 57.456 -10.332 -10.17 20.502 -9.658 -9.507 19.165 10 C 13 0.7311 0.6767 -0.087 0.2922 -0.1953 0.9362 -0.6165 0.7099 0.3405 -0.0247 -0.0104 0.0351 -13.188 -5.559 18.747 -4.706 -1.984 6.689 -4.399 -1.854 6.253 11 H 1 -0.2319 0.9423 0.2413 0.4924 -0.1002 0.8646 0.8389 0.3193 -0.4408 -0.0339 -0.014 0.0479 -18.083 -7.461 25.543 -6.452 -2.662 9.114 -6.032 -2.489 8.52 12 H 1 0.8911 -0.4376 -0.1203 0.4511 0.8251 0.3401 -0.0496 -0.3573 0.9327 -0.149 -0.1352 0.2842 -19.992 -18.148 38.14 -7.134 -6.476 13.609 -6.669 -6.054 12.722 13 C 13 0.6662 0.3847 0.6389 0.1142 0.794 -0.5971 0.737 -0.4707 -0.485 -0.0231 -0.0022 0.0254 -12.345 -1.198 13.543 -4.405 -0.427 4.832 -4.118 -0.4 4.517 14 H 1 -0.6763 0.7355 0.042 0.7274 0.6578 0.1954 -0.1161 -0.1627 0.9798 -0.07 -0.0528 0.1227 -9.387 -7.079 16.466 -3.35 -2.526 5.876 -3.131 -2.361 5.493 15 C 13 0.0484 0.9466 0.3186 0.9772 -0.1109 0.181 -0.2067 -0.3026 0.9304 -0.0946 -0.0727 0.1673 6.845 5.258 -12.103 2.443 1.876 -4.319 2.283 1.754 -4.037 16 O 17 -0.1103 0.981 0.1599 0.9844 0.13 -0.1183 0.1369 -0.1443 0.98 -0.284 -0.2818 0.5658 20.55 20.388 -40.938 7.333 7.275 -14.608 6.855 6.801 -13.655 17 O 17 0.0466 -0.0147 0.9988 0.1274 0.9918 0.0086 0.9908 -0.1268 -0.0481 -0.0042 -0.0026 0.0069 -0.565 -0.355 0.921 -0.202 -0.127 0.329 -0.189 -0.119 0.307 18 C 13 -0.326 0.2049 0.9229 0.1088 0.9779 -0.1787 0.9391 -0.0421 0.341 -0.0029 -0.0019 0.0048 -1.563 -1.006 2.57 -0.558 -0.359 0.917 -0.521 -0.336 0.857 19 H 1 0.0807 0.2262 0.9707 0.3204 0.9163 -0.2401 0.9438 -0.3304 -0.0015 -0.0021 -0.0016 0.0038 -1.141 -0.867 2.008 -0.407 -0.309 0.716 -0.38 -0.289 0.67 20 H 1 0.2293 0.1362 0.9638 0.0079 0.9899 -0.1418 0.9733 -0.0401 -0.2259 -0.0026 -0.0018 0.0044 -1.398 -0.967 2.365 -0.499 -0.345 0.844 -0.466 -0.322 0.789 21 H 1 -0.65 0.7577 -0.0586 0.5128 0.4942 0.702 -0.5608 -0.4262 0.7098 -0.0173 -0.0028 0.0201 -0.668 -0.109 0.777 -0.238 -0.039 0.277 -0.223 -0.036 0.259 22 N 14 -0.594 0.6757 0.4365 0.5927 7.0E-4 0.8054 0.5439 0.7371 -0.4009 -0.0043 -1.0E-4 0.0044 -0.577 -0.019 0.595 -0.206 -0.007 0.212 -0.192 -0.006 0.199 23 C 13 -0.4038 0.452 0.7953 -0.4047 0.6914 -0.5985 0.8205 0.5635 0.0963 -0.0064 -0.0035 0.0099 -0.86 -0.466 1.326 -0.307 -0.166 0.473 -0.287 -0.155 0.442 24 C 13 -0.3949 0.5893 0.7048 0.6041 -0.4115 0.6825 0.6922 0.6953 -0.1935 -0.0017 -0.0011 0.0028 -0.928 -0.562 1.489 -0.331 -0.2 0.531 -0.309 -0.187 0.497 25 H 1 0.7736 -0.2709 -0.5728 0.5295 -0.2201 0.8192 0.3481 0.9371 0.0268 -0.0022 -0.0017 0.0039 -1.184 -0.886 2.07 -0.423 -0.316 0.739 -0.395 -0.295 0.691 26 H 1 0.697 -0.5258 -0.4876 0.5725 -0.0015 0.8199 0.4319 0.8506 -0.2999 -0.0035 -0.0021 0.0056 -1.86 -1.135 2.995 -0.664 -0.405 1.069 -0.62 -0.379 0.999 27 H 1 -0.1304 -0.5125 0.8487 0.7483 -0.6125 -0.2549 0.6505 0.6018 0.4633 -0.0035 -0.003 0.0065 -1.865 -1.609 3.474 -0.666 -0.574 1.24 -0.622 -0.537 1.159 28 H 1 -0.029 -0.1687 0.9852 -0.3285 0.9325 0.15 0.944 0.3193 0.0824 -0.0021 -0.0019 0.004 -1.117 -1.039 2.155 -0.398 -0.371 0.769 -0.373 -0.346 0.719 29 H 1 -0.3227 0.3762 0.8685 0.1195 0.9265 -0.3569 0.9389 0.0114 0.344 -0.0075 -0.0047 0.0122 -4.012 -2.504 6.516 -1.432 -0.894 2.325 -1.338 -0.835 2.174 30 H 1 0.6564 0.6305 0.4143 -0.6472 0.7528 -0.1203 -0.3877 -0.1891 0.9022 -0.0522 -0.0437 0.0959 -8.93 -7.486 16.416 -3.186 -2.671 5.858 -2.979 -2.497 5.476 31 B 11 -0.6394 0.3717 0.6731 -0.2633 0.7166 -0.6459 0.7224 0.5902 0.3603 -0.0746 -0.0569 0.1315 -2.877 -2.193 5.07 -1.027 -0.783 1.809 -0.96 -0.732 1.691 32 N 14 -0.207 -0.2275 0.9515 0.823 -0.5664 0.0436 0.529 0.7921 0.3045 -0.0138 0.0047 0.009 -1.849 0.636 1.213 -0.66 0.227 0.433 -0.617 0.212 0.405 33 C 13 0.8141 0.5759 0.0753 -0.5617 0.7479 0.3537 0.1474 -0.3302 0.9323 -0.0196 -0.017 0.0366 -2.636 -2.279 4.915 -0.941 -0.813 1.754 -0.879 -0.76 1.639 34 C 13 -0.1013 0.3939 0.9136 0.9018 0.424 -0.0829 -0.42 0.8155 -0.3982 -0.0084 0.0013 0.0071 -4.474 0.671 3.803 -1.596 0.239 1.357 -1.492 0.224 1.268 35 H 1 0.179 0.1686 0.9693 0.7819 0.5736 -0.2442 -0.5972 0.8016 -0.0292 -0.003 -0.0028 0.0058 -1.597 -1.492 3.089 -0.57 -0.532 1.102 -0.533 -0.498 1.03 36 H 1 0.1421 -0.3055 0.9415 0.594 0.7872 0.1657 0.7918 -0.5358 -0.2934 -0.008 -0.0039 0.012 -4.291 -2.09 6.381 -1.531 -0.746 2.277 -1.431 -0.697 2.128 37 H 1 0.916 -0.0447 -0.3987 0.3229 0.672 0.6665 -0.2382 0.7392 -0.6299 -0.0037 -0.0025 0.0063 -1.996 -1.347 3.343 -0.712 -0.481 1.193 -0.666 -0.449 1.115 38 H 1 0.657 -0.6108 -0.4419 0.5792 0.7842 -0.2228 0.4826 -0.1096 0.869 -0.0045 -9.0E-4 0.0053 -2.379 -0.457 2.836 -0.849 -0.163 1.012 -0.793 -0.153 0.946 39 H 1 -1.07995326e+00 4.57651903e-01 9.80368187e-02 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 6 7 6 6 7 1 1 1 1 6 1 1 6 1 6 8 8 6 1 1 1 7 6 6 1 1 1 1 1 1 5 7 6 6 1 1 1 1 1 1 0.055359958 -0.059780278 -0.096817928 -0.027022281 -0.025045088 0.006698176 -0.003183944 0.035109830 0.004734027 0.018341580 0.008967590 -0.017974441 0.109071079 0.203598467 -0.216982658 -0.000187970 -0.000969226 -0.001239335 -0.001202167 0.000071851 0.003338833 0.000391480 0.000321102 0.000580476 0.003800512 0.013789223 0.000632250 -0.199813274 0.132495730 0.411218773 0.112100790 -0.009343323 0.063277851 -0.059024232 0.107204345 0.107233140 -0.172319839 -0.046113930 0.147212379 -0.050038406 0.019728354 0.171512129 0.055339306 0.004634541 0.019038824 -0.080785234 0.232943322 0.093203459 -0.013752830 0.040086239 -0.020213543 -0.005312219 0.015947136 0.004316849 -0.001694357 0.000319642 0.000185371 0.000314689 -0.003237173 -0.000492942 -0.000275234 -0.001174831 -0.001072993 0.193344970 -0.260725733 -0.106666490 0.018473420 -0.009870982 -0.001829878 0.047201714 -0.030369625 0.014693694 0.000819446 -0.006545145 -0.001594026 -0.001030962 0.003279113 0.000943251 -0.000981809 0.002325692 0.002498763 -0.002302842 0.001316832 -0.000715862 0.002138484 0.000069192 0.000293723 0.003889056 -0.002001036 0.005376503 0.126930956 -0.048788821 -0.286754608 -0.026800764 -0.024450738 -0.115742958 -0.040653985 -0.148586310 -0.099591772 -0.008722971 -0.009047827 -0.004119957 0.016866522 -0.098196832 -0.056127695 0.013309226 -0.020107438 0.000598624 -0.083669210 -0.017604520 -0.025169880 -0.001056931 -0.001816497 -0.003878641 0.000439905 0.000204552 -0.000919123 0.001698369 0.001362599 0.000317634 0.411218773 0.083795111 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l716.exe) 0.7556 0.7560 0.7568 0.7572 0.7580 0.7575 0.7563 0.7562 0.7567 0.7571 0.7573 0.7572 0.7574 0.7575 0.7578 0.7579 0.7578 0.7578 0.7577 0.7576 0.7577 0.7577 0.7577 0.7577 0.7577 0.7577 0.7577 0.7577 0.7575 0.7575 0.7575 0.7575 0.7575 0.7575 0.7576 0.7576 0.7576 0.7577 0.7577 0.7577 0.7577 0.7576 0.7576 0.7576 0.7575 0.7575 0.7575 0.7573 0.7575 0.7573 0.7574 0.7576 0.7575 0.7574 0.7574 0.7574 0.7571 0.7573 0.7568 0.7571 0.7572 0.7566 0.7558 0.7560 0.7559 0.7559 0.7558 0.7558 0.7558 0.7558 0.7558 0.7558 0.7558 0.7558 0.7558 0.7558 0.7558 0.7558 0.7558 0.7558 0.7558 0.7558 0.7558 0.7558 open 1 1 1 -825.881123847376 -825.881124588652 -0.000000741276 -825.881124636605 -0.000000047953 -825.881124638506 -0.000000001901 -825.881124639446 -0.000000000940 -825.881124639552 -0.000000000106 -825.881124639591 -0.000000000038 -825.881124639614 -0.000000000023 -825.881124639611 0.000000000003 -825.881124640 9 0.7558 8.170953013928e+02 -4.897481424348e+03 1.765990705964e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572565338 LenY= 1572420497 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. 0.7558 (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 C N C C N H H H H C H H C H C O O C H H H N C C H H H H H H B N C C H H H H H H 13 14 13 13 14 1 1 1 1 13 1 1 13 1 13 17 17 13 1 1 1 14 13 13 1 1 1 1 1 1 11 14 13 13 1 1 1 1 1 1 -0.00509 0.00062 -0.00044 0.00129 -0.00105 0.00003 -0.00001 -0.00001 0.00064 -0.01358 0.01173 0.00368 0.15375 -0.00931 -0.03719 0.01546 0.04771 0.00076 0.00079 0.00006 0.00087 0.00951 -0.00071 -0.00036 0.00060 0.00044 -0.00000 0.00047 0.00017 0.00001 0.05719 -0.00619 0.00009 0.00317 -0.00006 -0.00008 -0.00006 -0.00004 0.00000 -0.00002 -5.72571 0.20110 -0.48961 1.44790 -0.34067 0.11600 -0.02401 -0.03574 2.85543 -15.26344 52.41147 16.44917 172.84210 -41.60245 -41.80470 -9.37100 -28.92157 0.85825 3.52680 0.25265 3.88916 3.07214 -0.80010 -0.40454 2.66059 1.94539 -0.00318 2.09421 0.76401 0.02926 82.03716 -1.99862 0.09906 3.56657 -0.25016 -0.34244 -0.24797 -0.19907 0.01928 -0.10444 -2.04308 0.07176 -0.17471 0.51665 -0.12156 0.04139 -0.00857 -0.01275 1.01889 -5.44638 18.70171 5.86947 61.67436 -14.84479 -14.91696 -3.34381 -10.31994 0.30625 1.25845 0.09015 1.38775 1.09622 -0.28549 -0.14435 0.94936 0.69416 -0.00113 0.74727 0.27262 0.01044 29.27290 -0.71316 0.03535 1.27264 -0.08926 -0.12219 -0.08848 -0.07103 0.00688 -0.03727 -1.90989 0.06708 -0.16332 0.48297 -0.11364 0.03869 -0.00801 -0.01192 0.95247 -5.09134 17.48258 5.48685 57.65392 -13.87708 -13.94455 -3.12583 -9.64720 0.28628 1.17641 0.08427 1.29728 1.02476 -0.26688 -0.13494 0.88748 0.64891 -0.00106 0.69855 0.25484 0.00976 27.36465 -0.66667 0.03304 1.18968 -0.08344 -0.11422 -0.08271 -0.06640 0.00643 -0.03484 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 0.001551 -0.000233 0.001304 -0.000325 -0.000170 0.001890 0.000492 -0.000458 -0.001220 -0.007090 -0.006989 0.006432 -0.019417 -0.027409 0.044676 -0.006075 0.316147 -0.000080 -0.000548 0.000972 0.003109 0.041527 -0.000297 0.003131 0.000552 -0.000462 -0.000449 0.001736 0.001994 0.004108 -0.005645 -0.004304 -0.002038 -0.002181 -0.001369 -0.001236 -0.002558 -0.000713 -0.001123 -0.001002 -0.004219 -0.002238 0.000160 0.000282 0.002888 -0.000800 -0.000084 0.001152 0.002506 -0.030630 0.014459 -0.004695 -0.261442 0.019588 -0.017765 -0.053703 -0.165882 -0.002791 -0.001922 -0.000857 -0.001871 -0.029928 0.001539 -0.002194 0.000225 0.001835 0.000097 -0.000586 -0.000972 -0.002377 -0.032539 -0.002543 0.000883 -0.002440 -0.000024 0.000713 0.002926 -0.000917 -0.001265 -0.001562 0.002668 0.002471 -0.001464 0.000043 -0.002719 -0.001090 -0.000409 -0.000694 -0.001286 0.037721 -0.007470 -0.001737 0.280859 0.007821 -0.026911 0.059777 -0.150265 0.002870 0.002470 -0.000115 -0.001238 -0.011599 -0.001243 -0.000937 -0.000777 -0.001373 0.000353 -0.001150 -0.001022 -0.001731 0.038183 0.006847 0.001154 0.004621 0.001393 0.000523 -0.000368 0.001630 0.002388 0.002564 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 -0.002043 -0.001109 -0.001228 -0.002828 -0.004654 -0.000609 -0.000728 -0.001166 -0.004392 -0.008834 -0.000176 0.006210 -0.258902 -0.037267 0.021381 0.021326 0.206491 -0.001750 -0.000866 -0.001767 -0.000004 -0.007110 0.002193 0.002093 0.001319 0.001607 0.001068 0.002458 0.001026 0.000396 0.002190 -0.001107 -0.000466 0.000400 -0.000436 0.000210 -0.001023 0.000463 0.000194 0.000046 -0.006737 -0.000859 -0.001366 -0.000022 -0.005232 -0.001887 -0.000606 -0.000587 -0.002534 -0.057098 0.001078 0.008235 -0.534508 -0.002203 -0.006032 -0.068876 -0.253590 0.004229 0.003036 0.002272 0.003153 -0.038856 -0.001399 0.001259 -0.000712 -0.000666 -0.001072 0.001171 0.000432 0.001488 -0.045928 -0.001170 0.000264 -0.001457 0.000808 -0.000158 0.000803 -0.000939 -0.000124 -0.001673 -0.001054 0.002676 0.001122 0.000180 0.005866 0.000272 0.000428 0.001147 0.010663 0.028250 -0.004342 0.003916 0.337053 -0.036858 -0.001241 -0.042816 -0.080869 -0.002484 -0.001071 -0.001246 0.000166 0.003599 -0.001855 0.000619 -0.000681 -0.000936 -0.001744 0.001028 0.000065 -0.000337 -0.002050 -0.001825 -0.003343 -0.000512 -0.002358 -0.002074 -0.004182 -0.000870 -0.000705 0.000436 0.5613 0.6737 0.4808 -0.4686 0.7375 -0.4863 -0.6822 0.0476 0.7296 -0.0067 -0.0022 0.0089 -0.895 -0.299 1.194 -0.32 -0.107 0.426 -0.299 -0.1 0.398 1 C 13 0.2045 0.9057 -0.3713 0.9375 -0.072 0.3406 -0.2817 0.4177 0.8638 -0.0036 -5.0E-4 0.004 -0.138 -0.018 0.156 -0.049 -0.006 0.056 -0.046 -0.006 0.052 2 N 14 0.2505 -0.3052 0.9187 0.5909 0.7999 0.1046 0.7669 -0.5166 -0.3807 -0.0022 -6.0E-4 0.0028 -0.297 -0.081 0.377 -0.106 -0.029 0.135 -0.099 -0.027 0.126 3 C 13 0.7428 0.6686 -0.0357 0.0622 -0.0158 0.9979 -0.6667 0.7435 0.0534 -0.0029 0.0 0.0028 -0.385 0.005 0.38 -0.137 0.002 0.136 -0.128 0.002 0.127 4 C 13 0.431 -0.2926 0.8536 0.7306 0.6684 -0.1398 -0.5296 0.6839 0.5018 -0.0074 -0.0034 0.0108 -0.284 -0.132 0.416 -0.101 -0.047 0.149 -0.095 -0.044 0.139 5 N 14 0.4383 0.0189 0.8986 0.1502 0.9842 -0.0939 0.8862 -0.1761 -0.4285 -0.002 -9.0E-4 0.0029 -1.07 -0.49 1.56 -0.382 -0.175 0.557 -0.357 -0.164 0.52 6 H 1 0.2817 -0.2888 0.915 0.5889 0.8049 0.0728 0.7575 -0.5184 -0.3968 -7.0E-4 -6.0E-4 0.0013 -0.39 -0.308 0.698 -0.139 -0.11 0.249 -0.13 -0.103 0.233 7 H 1 0.1223 -0.3793 0.9172 0.8965 0.4386 0.0619 -0.4258 0.8147 0.3937 -0.0012 -0.0011 0.0023 -0.665 -0.57 1.235 -0.237 -0.204 0.441 -0.222 -0.19 0.412 8 H 1 -0.1098 -0.6575 0.7454 0.9381 0.1792 0.2962 -0.3284 0.7319 0.5971 -0.0103 -0.0029 0.0132 -5.505 -1.526 7.031 -1.964 -0.544 2.509 -1.836 -0.509 2.345 9 H 1 0.6393 -0.5125 0.5733 0.554 0.824 0.119 -0.5333 0.2415 0.8107 -0.0512 -0.0325 0.0837 -6.872 -4.36 11.232 -2.452 -1.556 4.008 -2.292 -1.454 3.747 10 C 13 -0.4816 0.1569 0.8623 0.8762 0.1051 0.4703 -0.0169 0.982 -0.1881 -0.0089 -0.0064 0.0153 -4.728 -3.432 8.16 -1.687 -1.225 2.912 -1.577 -1.145 2.722 11 H 1 -0.2651 0.9306 -0.2525 -0.5492 0.0695 0.8328 0.7925 0.3594 0.4927 -0.0075 -0.0068 0.0144 -4.016 -3.65 7.666 -1.433 -1.302 2.735 -1.34 -1.218 2.557 12 H 1 0.7281 0.6402 0.245 -0.3886 0.6799 -0.6218 -0.5647 0.3576 0.7438 -0.4269 -0.4217 0.8486 -57.287 -56.591 113.878 -20.442 -20.193 40.635 -19.109 -18.877 37.986 13 C 13 0.7604 0.549 0.347 -0.5658 0.2975 0.769 -0.319 0.7811 -0.5368 -0.0553 -0.0048 0.0601 -29.517 -2.571 32.088 -10.532 -0.917 11.45 -9.846 -0.857 10.703 14 H 1 0.1283 -0.1569 0.9792 -0.276 0.9427 0.1873 0.9526 0.2943 -0.0777 -0.0275 -0.0243 0.0518 -3.691 -3.257 6.947 -1.317 -1.162 2.479 -1.231 -1.086 2.317 15 C 13 0.0646 0.9353 0.3478 0.8596 -0.2292 0.4567 -0.5069 -0.2695 0.8188 -0.0682 -0.0484 0.1165 4.931 3.499 -8.431 1.76 1.249 -3.008 1.645 1.167 -2.812 16 O 17 0.4704 -0.3065 0.8275 -0.1451 0.8981 0.4151 0.8704 0.3153 -0.378 -0.2645 -0.2366 0.5011 19.137 17.121 -36.258 6.829 6.109 -12.938 6.383 5.711 -12.094 17 O 17 0.1604 0.9535 0.2553 0.8183 0.0162 -0.5745 0.5519 -0.3011 0.7776 -0.0038 -0.0031 0.0068 -0.503 -0.414 0.917 -0.18 -0.148 0.327 -0.168 -0.138 0.306 18 C 13 0.7975 0.4639 -0.3857 -0.3061 0.862 0.404 0.5199 -0.2042 0.8295 -0.0025 -0.0021 0.0046 -1.345 -1.129 2.474 -0.48 -0.403 0.883 -0.449 -0.377 0.825 19 H 1 0.6853 0.5739 -0.4483 -0.1287 0.7014 0.7011 0.7167 -0.4228 0.5546 -0.002 -0.0018 0.0038 -1.064 -0.949 2.013 -0.38 -0.338 0.718 -0.355 -0.316 0.671 20 H 1 -0.4591 -0.1417 0.877 -0.0756 0.9899 0.1203 0.8852 0.0111 0.4652 -0.0029 -0.0019 0.0048 -1.555 -0.987 2.543 -0.555 -0.352 0.907 -0.519 -0.329 0.848 21 H 1 0.4715 0.0887 0.8774 0.034 0.9924 -0.1185 0.8812 -0.0857 -0.4649 -0.0321 -0.0306 0.0627 -1.239 -1.18 2.419 -0.442 -0.421 0.863 -0.413 -0.394 0.807 22 N 14 0.4058 0.1995 0.8919 0.7551 -0.6229 -0.2043 0.5149 0.7564 -0.4034 -0.0023 -0.0017 0.004 -0.308 -0.232 0.54 -0.11 -0.083 0.193 -0.103 -0.077 0.18 23 C 13 -0.3057 0.9468 -0.1009 -0.2789 0.0123 0.9602 0.9104 0.3216 0.2603 -0.0029 -0.0013 0.0042 -0.394 -0.174 0.568 -0.141 -0.062 0.203 -0.131 -0.058 0.189 24 C 13 0.1112 0.3588 0.9268 0.7004 -0.6899 0.1831 0.7051 0.6287 -0.328 -0.0011 -9.0E-4 0.0021 -0.601 -0.498 1.099 -0.214 -0.178 0.392 -0.2 -0.166 0.366 25 H 1 0.41 0.0542 0.9105 0.7927 -0.5148 -0.3263 0.4511 0.8556 -0.254 -0.0017 -0.0012 0.003 -0.922 -0.657 1.579 -0.329 -0.235 0.564 -0.308 -0.219 0.527 26 H 1 -0.1218 0.7618 0.6362 0.8932 -0.1954 0.405 -0.4329 -0.6176 0.6567 -0.0015 -0.0012 0.0027 -0.817 -0.624 1.44 -0.291 -0.223 0.514 -0.272 -0.208 0.48 27 H 1 -0.4186 0.8402 -0.3447 -0.4307 0.1505 0.8899 0.7995 0.521 0.2988 -0.0022 -0.0015 0.0038 -1.191 -0.823 2.015 -0.425 -0.294 0.719 -0.397 -0.275 0.672 28 H 1 -0.3174 0.9088 0.2709 -0.0353 -0.2968 0.9543 0.9476 0.2933 0.1263 -0.0013 -0.0011 0.0024 -0.699 -0.564 1.264 -0.25 -0.201 0.451 -0.233 -0.188 0.422 29 H 1 -0.1684 0.8174 0.5509 -0.1637 -0.5743 0.8021 0.972 0.0448 0.2305 -0.0027 -0.0018 0.0045 -1.433 -0.957 2.39 -0.511 -0.341 0.853 -0.478 -0.319 0.797 30 H 1 0.8064 -0.319 0.498 0.2552 0.9473 0.1937 -0.5335 -0.0291 0.8453 -0.0349 -0.0324 0.0672 -5.971 -5.542 11.513 -2.131 -1.977 4.108 -1.992 -1.849 3.84 31 B 11 0.8632 0.4798 0.1574 -0.4981 0.8601 0.1099 -0.0826 -0.1732 0.9814 -0.0051 -0.0021 0.0073 -0.198 -0.082 0.28 -0.071 -0.029 0.1 -0.066 -0.027 0.094 32 N 14 0.4285 0.6738 0.602 0.9001 -0.2597 -0.3499 0.0795 -0.6917 0.7178 -0.0024 -0.002 0.0044 -0.322 -0.269 0.591 -0.115 -0.096 0.211 -0.107 -0.09 0.197 33 C 13 -0.7003 0.7082 -0.089 0.6842 0.7016 0.199 -0.2034 -0.0784 0.976 -0.0028 -0.0022 0.005 -0.372 -0.294 0.666 -0.133 -0.105 0.238 -0.124 -0.098 0.222 34 C 13 -0.4011 0.6891 0.6035 0.896 0.432 0.1023 0.1902 -0.5818 0.7908 -0.0018 -0.0015 0.0033 -0.979 -0.794 1.773 -0.349 -0.283 0.633 -0.327 -0.265 0.591 35 H 1 -0.1442 0.69 0.7093 0.9873 0.0525 0.1497 0.0661 0.7219 -0.6889 -0.0015 -0.0012 0.0027 -0.78 -0.666 1.447 -0.278 -0.238 0.516 -0.26 -0.222 0.483 36 H 1 -0.1778 0.5325 0.8276 0.9725 0.2236 0.0651 -0.1504 0.8164 -0.5576 -0.0032 -0.0027 0.006 -1.724 -1.462 3.186 -0.615 -0.522 1.137 -0.575 -0.488 1.063 37 H 1 -0.5451 0.8352 0.0734 0.771 0.4649 0.4352 -0.3293 -0.2938 0.8973 -0.0013 -0.001 0.0023 -0.691 -0.515 1.206 -0.247 -0.184 0.43 -0.231 -0.172 0.402 38 H 1 -0.4345 0.8884 0.148 0.8996 0.4202 0.1187 -0.0433 -0.1847 0.9818 -0.0015 -0.001 0.0025 -0.788 -0.56 1.348 -0.281 -0.2 0.481 -0.263 -0.187 0.45 39 H 1 PT177669.200S 2024-09-24T16:41:09.000 -19.29007 -19.23504 -14.51936 -14.51461 -14.39082 -14.38591 -10.41154 -10.36276 -10.35937 -10.35826 -10.34326 -10.30203 -10.29954 -10.29770 -10.29390 -10.29052 -10.25772 -6.83089 -1.19259 -1.15722 -1.09581 -1.01419 -0.97046 -0.94927 -0.88102 -0.86835 -0.80293 -0.77221 -0.76770 -0.75623 -0.73574 -0.72060 -0.69957 -0.67302 -0.66478 -0.64303 -0.59737 -0.58487 -0.57728 -0.56983 -0.56858 -0.55738 -0.55092 -0.54284 -0.53515 -0.52569 -0.51730 -0.50828 -0.49956 -0.49325 -0.49183 -0.47592 -0.46383 -0.45021 -0.43950 -0.43384 -0.42903 -0.42450 -0.41946 -0.41176 -0.41121 -0.39473 -0.39089 -0.38227 -0.36037 -0.34138 -0.28592 -0.26220 -0.24001 0.07573 0.08451 0.11256 0.12792 0.14372 0.15423 0.16635 0.17557 0.17822 0.18175 0.19375 0.20097 0.20428 0.21111 0.21636 0.22345 0.22463 0.23084 0.23612 0.23957 0.24516 0.25223 0.26289 0.26597 0.27011 0.27665 0.28909 0.29351 0.30819 0.31445 0.32572 0.34152 0.34886 0.35612 0.36220 0.37737 0.38396 0.39301 0.41209 0.42026 0.43118 0.44074 0.46527 0.47623 0.49753 0.49856 0.50710 0.51182 0.53191 0.54078 0.54092 0.54886 0.56265 0.56434 0.57988 0.58355 0.58831 0.59409 0.60502 0.62163 0.62562 0.63464 0.63692 0.64867 0.67593 0.68434 0.69101 0.70046 0.70697 0.71381 0.71549 0.72193 0.72695 0.73388 0.73702 0.74148 0.74625 0.75279 0.75551 0.75962 0.76296 0.76761 0.77329 0.77918 0.78944 0.79175 0.79794 0.80253 0.80365 0.81519 0.81981 0.82508 0.82812 0.83285 0.84244 0.84510 0.84755 0.86235 0.86931 0.88099 0.88988 0.92286 0.93473 0.95012 0.95202 0.97075 0.97945 0.98776 1.00150 1.01783 1.03074 1.04615 1.05721 1.08395 1.08760 1.10674 1.13506 1.14986 1.16998 1.17302 1.18376 1.19710 1.21092 1.22506 1.23829 1.25646 1.25967 1.29425 1.29836 1.32708 1.33299 1.34849 1.35458 1.36647 1.37214 1.37985 1.38930 1.41123 1.41800 1.42321 1.43473 1.46783 1.48378 1.49840 1.51410 1.53238 1.54279 1.57118 1.58325 1.59442 1.59677 1.61240 1.61984 1.63720 1.64068 1.65631 1.66792 1.68039 1.69003 1.69595 1.70925 1.71650 1.73198 1.74616 1.75974 1.77970 1.79190 1.79491 1.82267 1.82714 1.83954 1.85573 1.86748 1.87248 1.88037 1.88488 1.89615 1.90691 1.91004 1.91609 1.92091 1.93534 1.93588 1.95362 1.95552 1.95709 1.96696 1.96789 1.97385 1.98151 1.98979 1.99468 2.00602 2.01989 2.02093 2.02961 2.03403 2.03855 2.05418 2.06368 2.06892 2.08079 2.08744 2.11261 2.12591 2.13869 2.14664 2.15549 2.16499 2.17080 2.19710 2.21682 2.23204 2.24106 2.26190 2.26890 2.29747 2.31549 2.33189 2.33848 2.34687 2.36653 2.37035 2.39891 2.40775 2.42397 2.43210 2.43709 2.44217 2.45835 2.46277 2.47583 2.48848 2.51615 2.52139 2.54532 2.56183 2.57150 2.58376 2.62067 2.64234 2.67634 2.69334 2.72680 2.73616 2.74362 2.74899 2.75710 2.76322 2.78097 2.78564 2.79242 2.79924 2.80991 2.81470 2.82396 2.84166 2.85589 2.91410 2.91849 2.93081 2.93511 2.95151 2.97202 2.98313 3.00870 3.01381 3.02502 3.03475 3.04071 3.05456 3.07267 3.08314 3.12045 3.13661 3.14307 3.15491 3.16270 3.19428 3.20084 3.22909 3.25215 3.26169 3.28771 3.29879 3.31061 3.33478 3.44037 3.55532 3.62385 3.71895 3.74786 3.76632 -19.28934 -19.23212 -14.51934 -14.51463 -14.39036 -14.38600 -10.41185 -10.36277 -10.35938 -10.35823 -10.34326 -10.30203 -10.29765 -10.29392 -10.29051 -10.29040 -10.25748 -6.82962 -1.19006 -1.15717 -1.09051 -1.01413 -0.96976 -0.94886 -0.87971 -0.85297 -0.79890 -0.77198 -0.76727 -0.75581 -0.73536 -0.71291 -0.69497 -0.67277 -0.66444 -0.63981 -0.59571 -0.58309 -0.57514 -0.56684 -0.56367 -0.55645 -0.54910 -0.53964 -0.53450 -0.52457 -0.51581 -0.50659 -0.49577 -0.49257 -0.48704 -0.47242 -0.45807 -0.44644 -0.43829 -0.43182 -0.42716 -0.42430 -0.41905 -0.40968 -0.40617 -0.39105 -0.37860 -0.37245 -0.35430 -0.33878 -0.27005 -0.25229 -0.00027 0.07689 0.08474 0.12796 0.13543 0.14391 0.15549 0.16919 0.17575 0.17887 0.18192 0.19440 0.20133 0.20565 0.21174 0.21668 0.22372 0.22542 0.23126 0.23798 0.24055 0.24609 0.25298 0.26329 0.26651 0.27112 0.27794 0.28984 0.29442 0.30962 0.31556 0.32683 0.34337 0.34996 0.35830 0.36563 0.37840 0.39018 0.39447 0.41465 0.42231 0.43358 0.44272 0.46825 0.48097 0.49858 0.50048 0.50849 0.51268 0.53464 0.54138 0.54277 0.55205 0.56462 0.56566 0.58355 0.58392 0.59142 0.59950 0.60603 0.62292 0.62753 0.63579 0.63956 0.66495 0.68067 0.68647 0.69305 0.70300 0.70819 0.71533 0.71909 0.72448 0.72855 0.73529 0.73808 0.74216 0.74805 0.75408 0.75636 0.76135 0.76384 0.76824 0.77450 0.78111 0.79055 0.79452 0.79991 0.80359 0.80487 0.81623 0.82091 0.82563 0.82883 0.83388 0.84336 0.84690 0.84903 0.86332 0.86979 0.88184 0.89058 0.92362 0.93632 0.95130 0.95272 0.97125 0.98136 0.98840 1.00317 1.01918 1.03210 1.04815 1.05821 1.08525 1.08905 1.10800 1.13640 1.15160 1.17258 1.17423 1.18511 1.19818 1.21395 1.22932 1.23885 1.25713 1.26198 1.29542 1.30171 1.32841 1.33370 1.34920 1.35968 1.36952 1.37345 1.38085 1.39244 1.41391 1.41915 1.42526 1.43814 1.46943 1.48794 1.49919 1.51591 1.53532 1.54524 1.57207 1.58571 1.59568 1.59840 1.61365 1.62112 1.63804 1.64130 1.65763 1.66984 1.68107 1.69053 1.69762 1.71031 1.71786 1.73317 1.74849 1.76128 1.78087 1.79356 1.79555 1.82350 1.82803 1.84091 1.85713 1.86875 1.87389 1.88116 1.88811 1.89734 1.90884 1.91189 1.91757 1.92127 1.93592 1.93702 1.95500 1.95766 1.95881 1.96792 1.96876 1.97675 1.98773 1.99054 1.99982 2.00991 2.02018 2.02255 2.03000 2.03567 2.04188 2.05476 2.06636 2.07795 2.08324 2.08834 2.11313 2.12720 2.14154 2.14752 2.15667 2.16820 2.17308 2.19850 2.21861 2.24058 2.24877 2.26361 2.27145 2.30355 2.31751 2.33215 2.34111 2.34860 2.36815 2.38076 2.39933 2.40892 2.42511 2.43220 2.43951 2.44345 2.45962 2.46368 2.47956 2.49110 2.51723 2.52224 2.54832 2.56385 2.57236 2.58554 2.62157 2.64844 2.67922 2.69361 2.73545 2.73659 2.74519 2.75015 2.76151 2.76499 2.78283 2.78995 2.79395 2.80193 2.81307 2.81735 2.82842 2.84268 2.85761 2.91469 2.91927 2.93235 2.93808 2.95322 2.97260 2.98600 3.00892 3.01498 3.02528 3.03636 3.04286 3.05574 3.07474 3.08768 3.12103 3.13719 3.14356 3.15612 3.16468 3.19561 3.20365 3.22943 3.25237 3.26221 3.29039 3.30031 3.31121 3.34014 3.44049 3.55758 3.62408 3.71913 3.74990 3.76968 2-A. -1.01353104e+00 1.12921084e+00 4.79199638e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.5761 2.8702 1.2180 4.0445 -99.6144 -103.8258 -111.9679 -10.4780 1.7288 1.5116 5.5216 1.3103 -6.8319 -10.4780 1.7288 1.5116 11.5837 50.0873 1.1257 -16.5477 9.3959 22.2824 6.3750 5.7893 8.1991 -7.8764 -2474.9307 -1800.3920 -973.8523 -104.7687 12.2950 -77.3361 41.0472 6.8607 -9.5756 -771.5694 -622.6671 -493.1757 12.0316 -21.4259 5.2097 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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)|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) 0 2-A -825.8811246 0.755775 0. 0.750024 3.419E-9 1.092E-5 8.1728785,-3.9831138,-4.1897646,5.0775668,-1.9216824,-2.4124215 C01 [X(C11H22B1N4O2)] 1.2203007 0.6484484 -0.7889078 0.000010466 0.000049967 0.000012075 -0.000015084 -0.000018354 -0.000024026 -0.000003079 -0.000004200 0.000002275 -0.000006492 0.000018237 0.000004506 0.000014963 -0.000033511 0.000020454 0.000007036 0.000004135 0.000014793 -0.000000760 0.000003087 -0.000002448 0.000001429 -0.000000462 -0.000002886 -0.000001970 0.000006220 -0.000015267 0.000004390 0.000010063 0.000015238 -0.000007827 0.000000304 -0.000006183 0.000001755 -0.000015205 0.000000117 0.000009436 -0.000010345 -0.000002768 -0.000003638 0.000001923 0.000001756 0.000004890 -0.000000798 0.000002087 -0.000014876 -0.000007161 -0.000008846 0.000000726 0.000001109 0.000000747 0.000008824 -0.000003796 0.000014289 -0.000000945 -0.000003020 -0.000002239 -0.000002126 -0.000000413 -0.000000009 -0.000000618 -0.000000186 -0.000001816 0.000002457 0.000018041 -0.000015393 0.000004972 -0.000000763 0.000014757 0.000005177 -0.000002257 0.000003280 -0.000000211 -0.000000172 -0.000001483 -0.000001156 -0.000002708 -0.000000981 0.000000965 0.000001444 0.000004781 0.000000427 0.000001173 -0.000002046 -0.000005714 0.000001480 -0.000003249 0.000000871 0.000003331 -0.000003427 -0.000021142 -0.000032671 -0.000027837 0.000014629 0.000022297 0.000032953 -0.000007784 -0.000008971 -0.000008591 0.000003634 0.000002410 -0.000025009 0.000002363 0.000001517 -0.000002186 0.000000780 0.000000895 0.000003098 -0.000001003 0.000001284 0.000004950 -0.000002556 0.000002388 0.000002178 -0.000001847 -0.000000614 0.000001822 -0.000001362 -0.000005700 0.000000530 230.9543 AuxInfo=1/0/N:23,24,33,34,18,13,10,3,4,15,1,31,2,5,22,32,17,16/E:(1,2,3,4)(8,9)(13,14)(15,16)/CRV:6.3,8.3,9.3,10.3,11.3,12.4,17.1/rA:40nC3NC3C3NHHHHCHHC3HC3OO1CHHHNCCHHHHHHB4NCCHHHHHH/rB:s1;s2;s3;s1s4;s2;s3;s4;s5;;s10;s10;s10;s13;s13;s15;s15;s16;s18;s18;s18;;s22;s22;s23;s23;s23;s24;s24;s24;s1s10s22;s31;s32;s32;s33;s33;s33;s34;s34;s34;/rC:1.7138,.3188,-.1727;2.9587,.1663,-.634;3.4299,1.3232,-1.2095;2.4216,2.2314,-1.089;1.3844,1.5906,-.4483;3.3508,-.7768,-.5687;4.4199,1.4116,-1.6449;2.3618,3.2695,-1.4009;.4483,1.9881,-.2493;.1835,-.5785,1.9415;-.6031,-1.3244,2.1318;.9294,-.66,2.743;-.3381,.7848,1.8779;.3124,1.6134,2.1742;-1.3969,1.1868,.9731;-2.4712,.4006,.967;-1.3005,2.1659,.2352;-3.4138,.6339,-.0621;-2.9363,.5272,-1.0477;-4.1968,-.1229,.0612;-3.8447,1.6427,.0146;1.9857,-2.0736,.5584;1.6246,-3.4326,.2327;2.8302,-2.0334,1.7301;2.5254,-4.0707,.1714;.9499,-3.9059,.9804;1.1228,-3.4835,-.7426;2.3438,-2.4364,2.6457;3.7524,-2.6258,1.5782;3.1389,-1.0002,1.961;.8741,-.9862,.4314;-.2311,-1.2613,-.5868;-1.3044,-2.1856,-.3189;.0622,-1.2328,-1.9968;-2.2144,-1.9021,-.8824;-1.0748,-3.234,-.6097;-1.5795,-2.1934,.7425;.4801,-2.1878,-2.3912;-.8534,-1.0312,-2.5854;.7832,-.4423,-2.2526; Gaussian 16 GINC-BERON211 GRUFOR coments ES64L-G16RevC.02 114 C1[X(C11H22BN4O2)] UwB97XD def2SVP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk UwB97XD/def2SVPFreq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 230.9543 AuxInfo=1/0/N:23,24,33,34,18,13,10,3,4,15,1,31,2,5,22,32,17,16/E:(1,2,3,4)(8,9)(13,14)(15,16)/CRV:6.3,8.3,9.3,10.3,11.3,12.4,17.1/rA:40nC3NC3C3NHHHHCHHC3HC3OO1CHHHNCCHHHHHHB4NCCHHHHHH/rB:s1;s2;s3;s1s4;s2;s3;s4;s5;;s10;s10;s10;s13;s13;s15;s15;s16;s18;s18;s18;;s22;s22;s23;s23;s23;s24;s24;s24;s1s10s22;s31;s32;s32;s33;s33;s33;s34;s34;s34;/rC:1.7138,.3188,-.1727;2.9587,.1663,-.634;3.4299,1.3232,-1.2095;2.4216,2.2314,-1.089;1.3844,1.5906,-.4483;3.3508,-.7768,-.5687;4.4199,1.4116,-1.6449;2.3618,3.2695,-1.4009;.4483,1.9881,-.2493;.1835,-.5785,1.9415;-.6031,-1.3244,2.1318;.9294,-.66,2.743;-.3381,.7848,1.8779;.3124,1.6134,2.1742;-1.3969,1.1868,.9731;-2.4712,.4006,.967;-1.3005,2.1659,.2352;-3.4138,.6339,-.0621;-2.9363,.5272,-1.0477;-4.1968,-.1229,.0612;-3.8447,1.6427,.0146;1.9857,-2.0736,.5584;1.6246,-3.4326,.2327;2.8302,-2.0334,1.7301;2.5254,-4.0707,.1714;.9499,-3.9059,.9804;1.1228,-3.4835,-.7426;2.3438,-2.4364,2.6457;3.7524,-2.6258,1.5782;3.1389,-1.0002,1.961;.8741,-.9861,.4314;-.2311,-1.2613,-.5868;-1.3044,-2.1856,-.3189;.0622,-1.2328,-1.9968;-2.2144,-1.9021,-.8824;-1.0748,-3.234,-.6097;-1.5795,-2.1934,.7425;.4801,-2.1878,-2.3912;-.8534,-1.0312,-2.5854;.7832,-.4423,-2.2526; 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 12 14 12 12 14 1 1 1 1 12 1 1 12 1 12 16 16 12 1 1 1 14 12 12 1 1 1 1 1 1 11 14 12 12 1 1 1 1 1 1 12.0000000 14.0030740 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 14.0030740 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 11.0093053 14.0030740 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 2 0 0 2 1 1 1 1 0 1 1 0 1 0 0 0 0 1 1 1 2 0 0 1 1 1 1 1 1 3 2 0 0 1 1 1 1 1 1 3.6000000 4.5500000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 3.6000000 5.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 4.5500000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 2.7500000 4.5500000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l101.exe) Structure from the checkpoint file: "85_COOME_p.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 1 1 1 1 1 2 2 3 3 4 4 5 5 10 10 10 10 12 12 13 13 13 15 15 16 18 18 18 22 22 22 23 23 23 24 24 24 31 32 32 33 33 33 34 34 34 2 5 13 14 31 3 6 4 7 5 8 9 14 11 12 13 31 22 31 14 15 31 16 17 18 19 20 21 23 24 31 25 26 27 28 29 30 32 33 34 35 36 37 38 39 40 1.3364 1.3423 2.9381 3.0246 1.6652 1.3753 1.0234 1.3624 1.0851 1.3773 1.0856 1.0362 2.8332 1.1006 1.0978 1.4611 1.7098 2.8083 2.3351 1.0944 1.4496 2.588 1.3313 1.2298 1.4149 1.1003 1.0959 1.0996 1.4434 1.4449 1.5602 1.1056 1.1129 1.098 1.1124 1.1065 1.1028 1.5277 1.4416 1.4405 1.1072 1.1119 1.0965 1.1145 1.1069 1.1001 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 2 2 2 2 5 5 14 1 1 3 2 2 4 3 3 5 1 1 4 4 9 11 11 11 12 10 1 1 10 10 14 14 15 5 13 13 16 15 16 16 16 19 19 20 12 12 23 23 24 22 22 22 25 25 26 22 22 22 28 28 29 1 1 1 1 10 10 12 12 13 13 22 31 31 33 32 32 32 35 35 36 32 32 32 38 38 39 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 5 5 10 10 10 10 12 13 13 13 13 13 13 13 14 15 15 15 16 18 18 18 18 18 18 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 31 31 31 31 31 31 31 31 31 31 31 32 32 32 33 33 33 33 33 33 34 34 34 34 34 34 5 13 14 31 13 31 31 3 6 6 4 7 7 5 8 8 4 9 9 14 14 12 13 31 13 22 10 15 14 15 15 31 31 13 16 17 17 18 19 20 21 20 21 21 23 24 24 31 31 25 26 27 26 27 27 28 29 30 29 30 30 10 12 22 32 22 32 13 32 22 32 32 33 34 34 35 36 37 36 37 37 38 39 40 39 40 40 105.4195 155.4496 138.4447 120.3641 79.7268 133.886 79.6479 111.5675 116.1089 132.1078 105.6759 123.3004 131.0231 106.7556 130.7574 122.4866 110.5803 123.0687 126.2385 135.3801 58.4906 108.0048 112.6218 106.2501 110.0964 74.0389 68.4746 96.8021 118.849 123.1451 113.1514 113.0203 100.5475 88.1741 115.3692 122.5502 122.0554 116.3276 110.2625 106.2754 111.1988 110.1146 108.7527 110.2251 123.7394 64.8505 110.8219 117.3627 117.5819 110.6161 113.6098 111.0064 106.5985 107.2447 107.4563 113.6938 111.1527 111.0686 106.4678 106.826 107.281 109.7085 103.7527 102.5049 105.3127 112.4594 109.8395 50.3748 134.5918 139.9202 99.0252 116.3685 122.0193 120.1036 110.2547 110.6795 113.7123 111.7953 106.1399 106.7593 107.3513 113.9368 110.8315 112.0388 106.1462 106.7217 106.7165 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 5 5 13 13 14 14 31 31 2 2 13 13 31 31 2 2 5 5 2 2 2 2 5 5 5 5 14 14 14 14 1 1 6 6 2 2 7 7 3 3 3 8 8 8 4 9 11 13 11 11 11 12 12 12 11 11 11 10 10 10 15 31 1 1 10 10 14 14 31 31 14 14 14 15 15 15 13 17 15 15 15 12 12 12 24 24 24 31 31 31 12 12 12 23 23 23 31 31 31 23 23 23 23 24 24 24 24 1 1 10 10 12 12 13 13 22 22 31 31 31 34 34 34 31 31 31 33 33 33 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 4 4 5 5 10 10 10 10 10 10 10 10 10 10 10 12 12 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 15 15 16 16 16 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 31 31 31 31 31 31 31 31 31 31 32 32 32 32 32 32 32 32 32 32 32 32 2 2 2 2 2 2 2 2 5 5 5 5 5 5 13 13 13 13 31 31 31 31 31 31 31 31 31 31 31 31 3 3 3 3 4 4 4 4 5 5 5 5 5 5 14 14 12 12 13 13 13 13 13 13 31 31 31 22 22 14 14 14 15 15 15 15 15 15 15 15 31 31 31 31 31 31 16 16 18 18 18 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 31 31 31 31 31 31 31 31 32 32 32 32 32 32 32 32 32 32 33 33 33 33 33 33 34 34 34 34 34 34 3 6 3 6 3 6 3 6 4 9 4 9 4 9 10 15 10 15 10 12 22 32 10 12 22 32 10 12 22 32 4 7 4 7 5 8 5 8 1 9 14 1 9 14 13 13 22 22 1 14 15 1 14 15 1 22 32 23 24 5 5 5 16 17 16 17 16 17 16 17 12 22 32 12 22 32 18 18 19 20 21 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 1 10 13 32 1 10 13 32 33 34 33 34 33 34 33 34 33 34 35 36 37 35 36 37 38 39 40 38 39 40 -0.3453 -175.66 -99.4681 85.2172 -75.7666 108.9187 173.9332 -1.3815 0.3338 176.6936 155.6934 -27.9469 -172.8116 3.5481 -76.485 160.4989 178.8265 55.8104 131.4632 104.8932 11.7864 -110.3818 -56.1997 -82.7697 -175.8765 61.9553 -9.3067 -35.8767 -128.9835 108.8483 0.2257 179.9671 174.5518 -5.7068 -0.0121 179.7476 -179.7256 0.0341 -0.2027 -176.4203 103.9385 -179.9869 3.7955 -75.8457 -172.8808 75.6531 99.2651 -137.3962 -139.5576 150.7718 -55.6137 99.8431 30.1724 -176.213 162.0503 -84.5618 46.7434 -81.9362 178.9353 84.3028 -71.8257 41.627 117.6213 -60.5885 48.9325 -129.2774 -156.1136 25.6766 83.0736 -95.1362 78.7334 68.5221 -138.9513 -160.3603 -170.5716 -18.045 -169.5001 8.7195 58.2485 177.5672 -62.4649 -124.8275 -4.9914 116.2424 -51.8508 67.9853 -170.781 169.1594 -71.0044 50.2293 56.9845 177.0993 -63.5341 -61.5644 58.5505 177.917 77.326 -162.5591 -43.1926 -141.9307 100.3292 121.8246 -27.609 81.8565 -35.8836 -14.3881 -163.8217 -169.9803 43.454 -51.9136 161.5207 -41.9517 171.4826 -83.3429 130.0914 77.2956 -69.2701 152.0056 -88.6331 33.1322 -58.5306 60.8307 -177.404 83.8549 -156.5122 -37.4313 -66.2806 53.3524 172.4332 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00148 0.00231 0.00260 0.00289 0.00316 0.00360 0.00425 0.00444 0.00474 0.00504 0.00758 0.00814 0.00860 0.00882 0.01076 0.01116 0.01225 0.01394 0.01649 0.01791 0.01803 0.01987 0.02401 0.02575 0.03130 0.03580 0.03665 0.03911 0.04274 0.04687 0.04766 0.04834 0.04846 0.04942 0.04976 0.05614 0.06001 0.06053 0.06087 0.06214 0.06296 0.06898 0.07455 0.07813 0.08213 0.08356 0.08424 0.09659 0.10353 0.10551 0.10782 0.12289 0.12376 0.12677 0.12876 0.13112 0.13279 0.13413 0.14283 0.15957 0.16286 0.16520 0.16781 0.16971 0.17615 0.17712 0.17961 0.18066 0.18711 0.18802 0.19087 0.20704 0.22238 0.22911 0.24712 0.25636 0.26893 0.27902 0.28939 0.29711 0.30392 0.30714 0.30880 0.30963 0.31504 0.32272 0.32378 0.32437 0.32609 0.32744 0.33761 0.34427 0.34503 0.34620 0.35206 0.35404 0.35501 0.37049 0.37417 0.38195 0.38313 0.38497 0.39195 0.39493 0.40041 0.40441 0.40919 0.42037 0.43559 0.44733 0.47898 0.51761 0.58617 0.81592 Angle between quadratic step and forces= 68.92 degrees. 1 2 3 0.00131357 0.00000109 0.00000000 0.00000065 0.00000012 0.00000012 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 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 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 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 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 2.52537 2.53666 5.55214 5.71560 3.14679 2.59900 1.93399 2.57463 2.05063 2.60275 2.05146 1.95814 5.35406 2.07986 2.07462 2.76101 3.23112 5.30691 4.41272 2.06810 2.73939 4.89069 2.51583 2.32395 2.67381 2.07933 2.07099 2.07799 2.72755 2.73043 2.94842 2.08932 2.10302 2.07488 2.10206 2.09106 2.08395 2.88699 2.72426 2.72213 2.09233 2.10128 2.07203 2.10615 2.09177 2.07885 1.83992 2.71311 2.41632 2.10075 1.39149 2.33675 1.39012 1.94722 2.02648 2.30572 1.84439 2.15200 2.28678 1.86324 2.28215 2.13779 1.92999 2.14795 2.20328 2.36283 1.02085 1.88504 1.96562 1.85441 1.92154 1.29222 1.19511 1.68952 2.07431 2.14929 1.97486 1.97258 1.75489 1.53893 2.01357 2.13890 2.13027 2.03030 1.92444 1.85486 1.94078 1.92186 1.89809 1.92379 2.15966 1.13185 1.93421 2.04837 2.05219 1.93061 1.98287 1.93743 1.86049 1.87177 1.87547 1.98433 1.93998 1.93851 1.85821 1.86447 1.87241 1.91477 1.81083 1.78905 1.83805 1.96279 1.91706 0.87921 2.34907 2.44207 1.72832 2.03101 2.12964 2.09620 1.92431 1.93172 1.98465 1.95120 1.85249 1.86330 1.87363 1.98857 1.93437 1.95545 1.85260 1.86265 1.86255 -0.00603 -3.06585 -1.73605 1.48732 -1.32238 1.90099 3.03571 -0.02411 0.00583 3.08388 2.71736 -0.48776 -3.01613 0.06193 -1.33491 2.80123 3.12111 0.97408 2.29447 1.83073 0.20571 -1.92653 -0.98087 -1.44460 -3.06962 1.08132 -0.16243 -0.62617 -2.25119 1.89976 0.00394 3.14102 3.04650 -0.09960 -0.00021 3.13719 -3.13680 0.00059 -0.00354 -3.07912 1.81407 -3.14136 0.06624 -1.32376 -3.01734 1.32040 1.73250 -2.39802 -2.43574 2.63146 -0.97064 1.74259 0.52661 -3.07550 2.82831 -1.47588 0.81583 -1.43006 3.12301 1.47136 -1.25359 0.72653 2.05288 -1.05747 0.85403 -2.25632 -2.72470 0.44814 1.44991 -1.66044 1.37416 1.19594 -2.42516 -2.79881 -2.97704 -0.31494 -2.95833 0.15218 1.01663 3.09913 -1.09022 -2.17865 -0.08712 2.02881 -0.90497 1.18657 -2.98069 2.95239 -1.23926 0.87667 0.99457 3.09097 -1.10888 -1.07450 1.02190 3.10524 1.34959 -2.83719 -0.75385 -2.47716 1.75107 2.12624 -0.48187 1.42867 -0.62629 -0.25112 -2.85923 -2.96672 0.75842 -0.90606 2.81907 -0.73220 2.99294 -1.45461 2.27052 1.34906 -1.20899 2.65300 -1.54694 0.57827 -1.02155 1.06170 -3.09628 1.46354 -2.73165 -0.65330 -1.15681 0.93117 3.00953 -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 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00002 -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 0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 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 -0.00001 0.00000 -0.00001 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 -0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00001 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 -0.00000 0.00000 0.00000 -0.00000 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 -0.00001 -0.00000 -0.00000 -0.00001 -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 0.00001 -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 0.00003 -0.00006 -0.00005 -0.00020 0.00022 -0.00001 -0.00002 0.00000 0.00000 0.00001 -0.00000 0.00001 0.00025 -0.00001 -0.00000 -0.00008 0.00007 -0.00095 -0.00010 -0.00000 -0.00004 -0.00012 0.00005 0.00001 -0.00004 0.00002 0.00000 -0.00000 0.00000 0.00004 -0.00009 -0.00001 0.00001 -0.00001 -0.00001 -0.00002 0.00001 -0.00007 0.00006 0.00010 -0.00001 -0.00000 -0.00000 -0.00003 -0.00002 -0.00002 -0.00001 0.00071 0.00065 -0.00010 0.00007 0.00005 -0.00008 -0.00000 0.00011 -0.00008 0.00001 0.00001 -0.00002 -0.00003 -0.00001 0.00004 0.00004 0.00009 -0.00016 0.00065 0.00001 0.00003 -0.00008 -0.00001 0.00023 0.00034 0.00026 -0.00003 0.00011 -0.00006 0.00003 -0.00014 0.00017 -0.00006 -0.00002 0.00004 -0.00002 0.00002 -0.00002 0.00002 0.00004 -0.00004 -0.00001 0.00001 -0.00242 0.00024 -0.00014 -0.00022 -0.00019 0.00004 -0.00003 -0.00003 0.00002 0.00001 -0.00001 -0.00002 -0.00002 -0.00001 -0.00001 -0.00001 0.00008 0.00023 0.00056 -0.00014 -0.00012 -0.00010 0.00007 0.00008 -0.00004 -0.00035 0.00041 0.00006 0.00019 -0.00027 -0.00012 -0.00011 0.00006 0.00003 0.00001 -0.00001 0.00002 -0.00006 -0.00003 0.00000 0.00005 -0.00000 0.00005 0.00007 -0.00026 -0.00052 -0.00085 -0.00017 -0.00049 -0.00055 -0.00087 -0.00005 -0.00049 0.00071 0.00027 0.00070 0.00026 -0.00000 0.00008 -0.00040 -0.00031 0.00112 0.00095 0.00120 0.00125 0.00029 0.00012 0.00037 0.00042 0.00042 0.00025 0.00050 0.00055 -0.00006 -0.00000 0.00034 0.00040 0.00003 0.00013 -0.00003 0.00007 0.00001 0.00045 0.00021 -0.00008 0.00036 0.00012 -0.00042 -0.00003 0.00036 0.00043 0.00048 0.00045 0.00066 0.00033 0.00030 0.00051 -0.00084 -0.00093 -0.00086 -0.00169 -0.00256 0.00029 0.00014 0.00028 -0.00025 -0.00012 -0.00055 -0.00042 -0.00034 -0.00021 -0.00029 -0.00016 0.00040 -0.00067 -0.00021 0.00047 -0.00059 -0.00013 0.00035 0.00022 0.00085 0.00080 0.00084 0.00030 0.00034 0.00028 0.00005 0.00009 0.00003 0.00077 0.00081 0.00075 -0.00165 -0.00169 -0.00161 0.00097 0.00093 0.00101 0.00023 0.00019 0.00026 -0.00232 -0.00246 -0.00198 -0.00253 -0.00156 -0.00170 -0.00123 -0.00177 0.00077 0.00123 0.00101 0.00147 0.00155 0.00201 0.00084 0.00130 0.00100 0.00146 0.00103 0.00100 0.00110 0.00055 0.00053 0.00062 -0.00031 -0.00031 -0.00026 -0.00000 0.00000 0.00005 0.00003 -0.00006 -0.00005 -0.00020 0.00022 -0.00001 -0.00002 0.00000 0.00000 0.00001 -0.00000 0.00001 0.00025 -0.00001 -0.00000 -0.00008 0.00007 -0.00095 -0.00010 -0.00000 -0.00004 -0.00012 0.00005 0.00001 -0.00004 0.00002 0.00000 -0.00000 0.00000 0.00004 -0.00009 -0.00001 0.00001 -0.00001 -0.00001 -0.00002 0.00001 -0.00007 0.00006 0.00010 -0.00001 -0.00000 -0.00000 -0.00003 -0.00002 -0.00002 -0.00001 0.00071 0.00065 -0.00010 0.00007 0.00005 -0.00008 -0.00000 0.00011 -0.00008 0.00001 0.00001 -0.00002 -0.00003 -0.00001 0.00004 0.00004 0.00009 -0.00016 0.00065 0.00001 0.00003 -0.00008 -0.00001 0.00023 0.00034 0.00026 -0.00003 0.00011 -0.00006 0.00003 -0.00014 0.00017 -0.00006 -0.00002 0.00004 -0.00002 0.00002 -0.00002 0.00002 0.00004 -0.00004 -0.00001 0.00001 -0.00242 0.00024 -0.00014 -0.00022 -0.00019 0.00004 -0.00003 -0.00003 0.00002 0.00001 -0.00001 -0.00002 -0.00002 -0.00001 -0.00001 -0.00001 0.00008 0.00023 0.00056 -0.00014 -0.00012 -0.00010 0.00007 0.00008 -0.00004 -0.00035 0.00041 0.00006 0.00019 -0.00027 -0.00012 -0.00011 0.00006 0.00003 0.00001 -0.00001 0.00002 -0.00006 -0.00003 0.00000 0.00005 -0.00000 0.00005 0.00007 -0.00026 -0.00052 -0.00085 -0.00017 -0.00049 -0.00055 -0.00087 -0.00005 -0.00049 0.00071 0.00027 0.00070 0.00026 -0.00000 0.00008 -0.00040 -0.00031 0.00112 0.00095 0.00120 0.00125 0.00029 0.00012 0.00037 0.00042 0.00042 0.00025 0.00050 0.00055 -0.00006 -0.00000 0.00034 0.00040 0.00003 0.00013 -0.00003 0.00007 0.00001 0.00045 0.00021 -0.00008 0.00036 0.00012 -0.00042 -0.00003 0.00036 0.00043 0.00048 0.00045 0.00066 0.00033 0.00030 0.00051 -0.00084 -0.00093 -0.00086 -0.00169 -0.00256 0.00029 0.00014 0.00028 -0.00025 -0.00012 -0.00055 -0.00042 -0.00034 -0.00021 -0.00029 -0.00016 0.00040 -0.00067 -0.00020 0.00047 -0.00059 -0.00013 0.00035 0.00022 0.00085 0.00080 0.00084 0.00030 0.00034 0.00028 0.00004 0.00009 0.00003 0.00077 0.00081 0.00075 -0.00165 -0.00169 -0.00161 0.00097 0.00093 0.00101 0.00023 0.00019 0.00026 -0.00232 -0.00246 -0.00198 -0.00253 -0.00156 -0.00170 -0.00123 -0.00177 0.00077 0.00123 0.00101 0.00147 0.00155 0.00201 0.00084 0.00130 0.00100 0.00146 0.00103 0.00100 0.00110 0.00055 0.00053 0.00062 -0.00031 -0.00031 -0.00026 -0.00000 0.00000 0.00005 2.52540 2.53659 5.55209 5.71541 3.14702 2.59899 1.93397 2.57463 2.05063 2.60276 2.05146 1.95815 5.35431 2.07984 2.07462 2.76093 3.23119 5.30595 4.41262 2.06809 2.73936 4.89057 2.51588 2.32396 2.67376 2.07935 2.07099 2.07798 2.72755 2.73047 2.94833 2.08931 2.10303 2.07487 2.10205 2.09105 2.08395 2.88692 2.72432 2.72223 2.09232 2.10128 2.07203 2.10612 2.09176 2.07883 1.83990 2.71382 2.41696 2.10065 1.39157 2.33680 1.39004 1.94722 2.02659 2.30564 1.84440 2.15201 2.28676 1.86321 2.28214 2.13783 1.93003 2.14805 2.20312 2.36348 1.02087 1.88507 1.96554 1.85440 1.92178 1.29256 1.19537 1.68949 2.07441 2.14922 1.97490 1.97243 1.75505 1.53887 2.01356 2.13894 2.13025 2.03032 1.92442 1.85488 1.94083 1.92182 1.89809 1.92380 2.15724 1.13209 1.93407 2.04815 2.05200 1.93065 1.98284 1.93739 1.86052 1.87179 1.87545 1.98431 1.93996 1.93850 1.85820 1.86446 1.87248 1.91500 1.81139 1.78890 1.83793 1.96269 1.91714 0.87929 2.34903 2.44172 1.72873 2.03108 2.12983 2.09593 1.92419 1.93161 1.98471 1.95123 1.85250 1.86329 1.87365 1.98851 1.93435 1.95545 1.85265 1.86264 1.86261 -0.00596 -3.06610 -1.73657 1.48647 -1.32254 1.90050 3.03516 -0.02498 0.00578 3.08340 2.71808 -0.48749 -3.01543 0.06219 -1.33492 2.80132 3.12071 0.97376 2.29559 1.83168 0.20691 -1.92527 -0.98058 -1.44449 -3.06925 1.08175 -0.16201 -0.62592 -2.25068 1.90031 0.00388 3.14101 3.04685 -0.09920 -0.00018 3.13732 -3.13684 0.00066 -0.00353 -3.07866 1.81428 -3.14145 0.06661 -1.32364 -3.01776 1.32036 1.73286 -2.39758 -2.43526 2.63192 -0.96998 1.74292 0.52691 -3.07499 2.82747 -1.47681 0.81497 -1.43175 3.12045 1.47166 -1.25346 0.72681 2.05263 -1.05759 0.85348 -2.25674 -2.72503 0.44793 1.44962 -1.66060 1.37456 1.19527 -2.42536 -2.79834 -2.97763 -0.31508 -2.95798 0.15241 1.01748 3.09993 -1.08938 -2.17835 -0.08677 2.02909 -0.90492 1.18665 -2.98066 2.95316 -1.23845 0.87742 0.99292 3.08928 -1.11049 -1.07353 1.02283 3.10625 1.34982 -2.83700 -0.75359 -2.47947 1.74862 2.12426 -0.48440 1.42711 -0.62799 -0.25235 -2.86100 -2.96594 0.75965 -0.90505 2.82054 -0.73064 2.99495 -1.45377 2.27182 1.35006 -1.20753 2.65403 -1.54594 0.57936 -1.02100 1.06222 -3.09567 1.46324 -2.73196 -0.65356 -1.15682 0.93118 3.00958 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000019 0.000004 0.005648 0.001314 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.194503e-07 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 380 A 362 A 362 604 380 69 68 1488.5537511836 40 40 40 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 -0.0394588320 0.000000 1.336366 0.000000 2.242468 1.375333 0.000000 2.235771 2.181825 1.362436 0.000000 1.342340 2.131119 2.198906 1.377316 0.000000 2.009236 1.023424 2.196938 3.191166 3.079918 0.000000 3.268743 2.169760 1.085145 2.230372 3.267802 2.662726 0.000000 3.261144 3.251855 2.228437 1.085586 2.163710 4.247745 2.783420 0.000000 2.096070 3.125494 3.202163 2.158256 1.036203 4.021274 4.248949 2.574830 0.000000 2.759861 3.858683 4.907545 4.699879 3.443591 4.046238 5.896595 5.542947 3.384830 0.000000 3.657728 4.749558 5.868470 5.671541 4.370833 4.819358 6.854197 6.509602 4.212762 1.100613 0.000000 3.174035 4.025485 5.080066 5.027031 3.931449 4.104138 5.977330 5.887675 4.024561 1.097841 1.778642 0.000000 2.938066 4.190567 4.900974 4.302471 3.004561 4.693848 5.953298 4.920787 2.567340 1.461063 2.140824 2.107662 0.000000 3.024567 4.121062 4.610051 3.934391 2.833247 4.740113 5.612336 4.441230 2.456066 2.208033 3.077441 2.423334 1.094389 0.000000 3.426739 4.753457 5.299078 4.463658 3.149409 5.364095 6.382771 4.909308 2.353941 2.559726 2.877303 3.457599 1.449625 2.132268 0.000000 4.338178 5.665865 6.357008 5.614158 4.276073 6.135182 7.438548 6.098851 3.538828 2.992686 2.796789 3.980353 2.351077 3.267590 1.331318 0.000000 3.558585 4.784780 5.017322 3.951108 2.829540 5.562341 6.068468 4.160146 1.823342 3.556077 4.033041 4.387123 2.352046 2.581954 1.229782 2.241129 0.000000 5.138461 6.415198 6.973395 6.136651 4.907854 6.928702 8.029791 6.488181 4.096955 4.292519 4.067961 5.329765 3.639562 4.454832 2.333508 1.414917 2.627104 0.000000 4.736232 5.920481 6.417790 5.622503 4.489759 6.438726 7.433191 5.976148 3.771873 4.459959 4.356734 5.542731 3.921174 4.702593 2.624506 2.071495 2.647032 1.100334 0.000000 5.931699 7.195032 7.865926 7.118219 5.860491 7.602049 8.917044 7.527388 5.111755 4.788640 4.318090 5.810237 4.360504 5.273804 3.222796 2.017963 3.695639 1.095919 1.800326 0.000000 5.717014 6.991890 7.383787 6.389887 5.249763 7.613755 8.432742 6.570432 4.314975 4.987350 4.877905 5.961415 4.062523 4.684700 2.667987 2.082399 2.606829 1.099623 1.788258 1.800954 0.000000 2.516423 2.717680 4.092586 4.630081 3.847306 2.194468 4.788178 5.703494 4.417380 2.719593 3.120755 2.808294 3.913000 4.359511 4.716423 5.113989 5.373725 6.072146 5.793958 6.502046 6.935456 0.000000 3.774309 3.934823 5.287335 5.870531 5.074831 3.267303 5.899569 6.937604 5.567698 3.625276 3.607527 3.804262 4.934072 5.563630 5.569263 5.657567 6.316556 6.481445 6.174216 6.698709 7.464536 1.443358 0.000000 3.224946 3.231744 4.501921 5.128695 4.468728 2.671080 5.077977 6.176095 5.075790 3.027594 3.528741 2.554474 4.242911 4.453786 5.367655 5.883196 6.077130 7.022460 6.893870 7.470947 7.810980 1.444883 2.377730 0.000000 4.477228 4.334632 5.640857 6.427837 5.808355 3.475543 6.078180 7.508580 6.418744 4.562136 4.601445 4.559967 5.889610 6.420158 6.608253 6.752153 7.316879 7.580412 7.242741 7.796539 8.558386 2.104629 1.105622 2.583237 0.000000 4.445437 4.819207 6.187857 6.641975 5.695790 4.237440 6.870916 7.691008 6.041760 3.547212 3.225223 3.693686 4.946412 5.682874 5.607460 5.499997 6.518159 6.382710 6.234433 6.453299 7.396487 2.146719 1.112869 2.757558 1.778719 0.000000 3.889950 4.086984 5.352080 5.870885 5.089355 3.510094 5.970519 6.897229 5.534982 4.065159 3.987831 4.489860 5.217183 5.928174 5.577095 5.561040 6.224421 6.164142 5.714422 6.343324 7.178207 2.103577 1.097978 3.336536 1.774180 1.782449 0.000000 3.991486 4.231863 5.493309 5.978567 5.168216 3.755124 6.125907 6.995256 5.616930 2.935043 3.191439 2.272829 4.261257 4.555241 5.469803 5.835355 6.346080 7.064700 7.092520 7.403557 7.865107 2.148667 2.707891 1.112363 2.970892 2.622207 3.750768 0.000000 3.986552 3.649593 4.844517 5.698950 5.243327 2.861699 5.209072 6.750119 5.961906 4.130398 4.579401 3.631885 5.334244 5.491827 6.435667 6.947380 7.091930 8.041847 7.846983 8.470912 8.853302 2.113294 2.643644 1.106542 2.360575 3.138506 3.610632 1.777536 0.000000 2.885087 2.850833 3.941407 4.501215 3.949127 2.548390 4.523321 5.489757 4.588508 2.985363 3.759931 2.368359 3.909312 3.855617 5.131557 5.867194 5.719329 7.049957 6.949328 7.628388 7.716501 2.109361 3.346170 1.102778 3.606552 3.767857 4.188214 1.778663 1.779195 0.000000 1.665212 2.609326 3.815410 3.880614 2.770184 2.679165 4.757390 4.866353 3.080679 1.709833 2.277738 2.335112 2.588040 3.179754 3.189492 3.660775 3.834413 4.610300 4.358583 5.157237 5.417749 1.560238 2.566661 2.570923 3.508408 2.971915 2.770705 3.027615 3.505420 2.732964 0.000000 2.539795 3.494960 4.524341 4.414478 3.280541 3.614535 5.467657 5.283335 3.336700 2.651519 2.744704 3.577111 3.205054 4.022761 3.128175 3.192836 3.683009 3.741248 3.275546 4.176492 4.674711 2.624049 2.971484 3.916106 4.008269 3.293196 2.606802 4.296565 4.734687 4.232775 1.527729 0.000000 3.924656 4.879019 5.959725 5.829769 4.637449 4.870143 6.889558 6.661087 4.527279 3.147387 2.690605 4.085617 3.818684 4.823084 3.612573 3.114948 4.386596 3.530589 3.248603 3.572842 4.606503 3.406926 3.230848 4.617005 4.296704 3.119224 2.784836 4.707599 5.418859 5.132852 2.597627 1.441618 0.000000 2.909070 3.493505 4.300503 4.288546 3.481053 3.614208 5.109428 5.090578 3.684691 3.994195 4.182937 4.852428 4.386830 5.055841 4.099252 4.227330 4.288324 4.394373 3.604088 4.858673 5.251484 3.307007 3.500124 4.710965 4.338520 4.098504 2.786315 5.311132 5.323433 5.018465 2.572261 1.440489 2.364552 0.000000 4.567988 5.576795 6.509012 6.214568 5.033729 5.686470 7.454912 6.925015 4.756497 3.934011 3.466326 4.956765 4.284713 5.299682 3.694924 2.964530 4.316576 2.922842 2.539718 2.825982 4.003527 4.443652 4.280580 5.682458 5.317779 4.183030 3.695492 5.788812 6.494652 6.128299 3.479074 2.105122 1.107215 2.621593 0.000000 4.537551 5.275547 6.435791 6.505760 5.417565 5.062148 7.269425 7.398071 5.451544 3.891466 3.374155 4.677879 4.783394 5.759497 4.706613 4.200674 5.470204 4.553180 4.219424 4.458261 5.643044 3.475271 2.834729 4.707981 3.777775 2.660674 2.215652 4.787571 5.334637 5.417884 3.151963 2.145686 1.111948 2.687314 1.773934 0.000000 4.242009 5.296995 6.424226 6.240390 4.951910 5.294708 7.395181 7.069080 4.751905 2.674664 1.907538 3.556374 3.420480 4.485672 3.393022 2.752159 4.397608 3.464997 3.528127 3.406168 4.514091 3.571955 3.472985 4.521772 4.549763 3.063798 3.342440 4.367334 5.414262 5.017144 2.752193 2.110524 1.096473 3.334982 1.768705 1.779297 0.000000 3.567449 3.843561 4.735465 4.999450 4.343827 3.681490 5.388375 5.856927 4.693235 4.631415 4.730367 5.375459 5.265963 5.943099 5.121450 5.165950 5.387260 5.343143 4.565956 5.670234 6.258126 3.313606 3.121512 4.746779 3.780964 3.813171 2.193083 5.376409 5.162906 5.236530 3.092929 2.149404 2.734776 1.114525 3.101315 2.585697 3.749926 0.000000 3.772759 4.446780 5.077668 4.858922 4.055667 4.669780 5.887217 5.498756 4.033315 4.666132 4.732896 5.630913 4.845995 5.568378 4.228160 4.157688 4.286791 3.961713 3.021855 4.359792 4.780932 4.362386 4.455131 5.761652 5.315525 4.922447 3.648912 6.289759 6.410231 6.050530 3.476671 2.105790 2.583217 1.106918 2.347513 2.967227 3.598994 1.775834 0.000000 2.402357 2.779064 3.348142 3.344698 2.783828 3.088705 4.126963 4.122473 3.167352 4.239000 4.682244 5.002482 4.452428 4.903550 4.220423 4.654845 4.163332 4.855061 4.028202 5.500589 5.559213 3.465445 3.978250 4.752288 4.698623 4.741015 3.412389 5.514172 5.315926 4.859581 2.740102 2.115280 3.337175 1.100078 3.604730 3.734285 4.197590 1.777041 1.770861 0.000000 C11H22BN4O2(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 0 230.9543 AuxInfo=1/0/N:23,24,33,34,18,13,10,3,4,15,1,31,2,5,22,32,17,16/E:(1,2,3,4)(8,9)(13,14)(15,16)/CRV:6.3,8.3,9.3,10.3,11.3,12.4,17.1/rA:40nC3NC3C3NHHHHCHHC3HC3OO1CHHHNCCHHHHHHB4NCCHHHHHH/rB:s1;s2;s3;s1s4;s2;s3;s4;s5;;s10;s10;s10;s13;s13;s15;s15;s16;s18;s18;s18;;s22;s22;s23;s23;s23;s24;s24;s24;s1s10s22;s31;s32;s32;s33;s33;s33;s34;s34;s34;/rC:-1.0445,.9592,.0038;-2.3058,1.277,.3105;-2.4358,2.6174,.5897;-1.1893,3.147,.4412;-.3579,2.1102,.0796;-2.9653,.4967,.3693;-3.3788,3.0807,.8612;-.8335,4.1658,.559;.6673,2.1672,-.06;.2834,-.7822,-1.6757;.8115,-1.7458,-1.6138;-.3895,-.8191,-2.5424;1.1963,.3522,-1.7969;.8589,1.247,-2.329;2.2577,.6204,-.8467;3.0313,-.4207,-.5468;2.4156,1.7227,-.3249;3.921,-.249,.5399;3.3625,.0055,1.4532;4.4373,-1.2071,.6686;4.6482,.5503,.336;-1.9908,-1.3529,-.298;-2.0945,-2.6521,.3221;-2.6921,-1.3292,-1.561;-3.1508,-2.9739,.3774;-1.5467,-3.4518,-.2245;-1.7067,-2.6301,1.3491;-2.2886,-2.0459,-2.3099;-3.7612,-1.5823,-1.429;-2.6469,-.3279,-2.0209;-.6092,-.6317,-.2252;.2776,-.9831,.9681;1.0277,-2.2128,1.0271;-.0957,-.5626,2.2944;1.9365,-2.0871,1.6471;.4632,-3.06,1.4743;1.3644,-2.5323,.0337;-.8173,-1.2458,2.799;.7911,-.5094,2.9547;-.5525,.4381,2.2968; 0.5333272 0.3889515 0.2991206 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 379 379 379 379 379 MxSgAt= 40 MxSgA2= 40. 1 open 1 1 1 -825.881124639603 -825.881124640 1 0.7558 8.170953018039e+02 -4.897481424882e+03 1.765990706087e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572565338 LenY= 1572420497 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. 0.7558 Using compressed storage, NAtomX= 40. Will process 41 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=1111111111111111111111111111111111111111 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. 12075 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= 120 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= 120 NMatS0= 120 NMatT0= 0 NMatD0= 120 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 123 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 120 vectors produced by pass 0 Test12= 4.02D-14 1.00D-09 XBig12= 1.47D+02 2.86D+00. AX will form 120 AO Fock derivatives at one time. 120 vectors produced by pass 1 Test12= 4.02D-14 1.00D-09 XBig12= 1.72D+01 7.99D-01. 120 vectors produced by pass 2 Test12= 4.02D-14 1.00D-09 XBig12= 5.08D-01 1.65D-01. 120 vectors produced by pass 3 Test12= 4.02D-14 1.00D-09 XBig12= 8.80D-03 2.91D-02. 120 vectors produced by pass 4 Test12= 4.02D-14 1.00D-09 XBig12= 1.19D-04 2.33D-03. 120 vectors produced by pass 5 Test12= 4.02D-14 1.00D-09 XBig12= 1.17D-06 1.66D-04. 120 vectors produced by pass 6 Test12= 4.02D-14 1.00D-09 XBig12= 1.00D-08 8.23D-06. 66 vectors produced by pass 7 Test12= 4.02D-14 1.00D-09 XBig12= 7.59D-11 5.94D-07. 6 vectors produced by pass 8 Test12= 4.02D-14 1.00D-09 XBig12= 6.50D-13 5.38D-08. 3 vectors produced by pass 9 Test12= 4.02D-14 1.00D-09 XBig12= 6.40D-15 6.75D-09. InvSVY: IOpt=1 It= 1 EMax= 5.33D-15 Solved reduced A of dimension 915 with 123 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 163.26 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 181.363 2.917 173.465 2.456 1.284 134.938 185.908 4.386 188.746 -1.186 4.655 153.037 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 C N C C N H H H H C H H C H C O O C H H H N C C H H H H H H B N C C H H H H H H 13 14 13 13 14 1 1 1 1 13 1 1 13 1 13 17 17 13 1 1 1 14 13 13 1 1 1 1 1 1 11 14 13 13 1 1 1 1 1 1 -0.00509 0.00062 -0.00044 0.00129 -0.00105 0.00003 -0.00001 -0.00001 0.00064 -0.01358 0.01173 0.00368 0.15375 -0.00931 -0.03719 0.01546 0.04771 0.00076 0.00079 0.00006 0.00087 0.00951 -0.00071 -0.00036 0.00060 0.00044 -0.00000 0.00047 0.00017 0.00001 0.05719 -0.00619 0.00009 0.00317 -0.00006 -0.00008 -0.00006 -0.00004 0.00000 -0.00002 -5.72572 0.20110 -0.48961 1.44791 -0.34067 0.11600 -0.02401 -0.03574 2.85543 -15.26338 52.41148 16.44914 172.84201 -41.60241 -41.80472 -9.37096 -28.92163 0.85826 3.52679 0.25265 3.88916 3.07216 -0.80011 -0.40455 2.66059 1.94540 -0.00318 2.09422 0.76401 0.02927 82.03717 -1.99861 0.09906 3.56657 -0.25016 -0.34244 -0.24797 -0.19907 0.01927 -0.10444 -2.04308 0.07176 -0.17471 0.51665 -0.12156 0.04139 -0.00857 -0.01275 1.01889 -5.44635 18.70172 5.86946 61.67433 -14.84478 -14.91696 -3.34379 -10.31996 0.30625 1.25845 0.09015 1.38775 1.09622 -0.28550 -0.14435 0.94937 0.69417 -0.00113 0.74727 0.27262 0.01044 29.27290 -0.71316 0.03535 1.27264 -0.08926 -0.12219 -0.08848 -0.07103 0.00688 -0.03727 -1.90990 0.06708 -0.16332 0.48297 -0.11364 0.03869 -0.00801 -0.01192 0.95247 -5.09132 17.48259 5.48684 57.65389 -13.87707 -13.94455 -3.12581 -9.64722 0.28628 1.17641 0.08427 1.29728 1.02476 -0.26689 -0.13494 0.88748 0.64891 -0.00106 0.69856 0.25485 0.00976 27.36465 -0.66667 0.03304 1.18968 -0.08344 -0.11422 -0.08271 -0.06640 0.00643 -0.03484 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 0.001551 -0.000233 0.001304 -0.000325 -0.000170 0.001890 0.000492 -0.000458 -0.001220 -0.007090 -0.006989 0.006432 -0.019417 -0.027408 0.044676 -0.006075 0.316147 -0.000080 -0.000548 0.000972 0.003109 0.041527 -0.000297 0.003131 0.000552 -0.000462 -0.000449 0.001736 0.001994 0.004108 -0.005645 -0.004304 -0.002038 -0.002181 -0.001369 -0.001236 -0.002558 -0.000713 -0.001123 -0.001002 -0.004219 -0.002238 0.000160 0.000282 0.002888 -0.000800 -0.000084 0.001152 0.002506 -0.030630 0.014459 -0.004695 -0.261442 0.019588 -0.017765 -0.053702 -0.165882 -0.002791 -0.001922 -0.000857 -0.001871 -0.029928 0.001539 -0.002194 0.000225 0.001835 0.000097 -0.000586 -0.000972 -0.002377 -0.032539 -0.002543 0.000883 -0.002440 -0.000024 0.000713 0.002926 -0.000917 -0.001265 -0.001562 0.002668 0.002471 -0.001464 0.000043 -0.002719 -0.001090 -0.000409 -0.000694 -0.001286 0.037721 -0.007470 -0.001737 0.280859 0.007821 -0.026911 0.059777 -0.150265 0.002870 0.002470 -0.000115 -0.001238 -0.011599 -0.001243 -0.000937 -0.000777 -0.001373 0.000353 -0.001150 -0.001022 -0.001731 0.038183 0.006847 0.001154 0.004621 0.001393 0.000523 -0.000368 0.001630 0.002388 0.002564 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 -0.002043 -0.001109 -0.001228 -0.002828 -0.004654 -0.000609 -0.000728 -0.001166 -0.004392 -0.008834 -0.000176 0.006210 -0.258902 -0.037267 0.021381 0.021326 0.206492 -0.001750 -0.000866 -0.001767 -0.000004 -0.007110 0.002193 0.002093 0.001319 0.001607 0.001068 0.002458 0.001026 0.000396 0.002190 -0.001107 -0.000466 0.000400 -0.000436 0.000210 -0.001023 0.000463 0.000194 0.000046 -0.006737 -0.000859 -0.001366 -0.000022 -0.005232 -0.001887 -0.000606 -0.000587 -0.002534 -0.057098 0.001078 0.008235 -0.534508 -0.002203 -0.006032 -0.068875 -0.253590 0.004229 0.003036 0.002272 0.003153 -0.038856 -0.001399 0.001259 -0.000712 -0.000666 -0.001072 0.001171 0.000432 0.001488 -0.045928 -0.001170 0.000264 -0.001457 0.000808 -0.000158 0.000803 -0.000939 -0.000124 -0.001673 -0.001054 0.002676 0.001122 0.000180 0.005866 0.000272 0.000428 0.001147 0.010663 0.028250 -0.004342 0.003916 0.337053 -0.036858 -0.001241 -0.042816 -0.080869 -0.002484 -0.001071 -0.001246 0.000166 0.003600 -0.001855 0.000619 -0.000681 -0.000936 -0.001744 0.001028 0.000065 -0.000337 -0.002050 -0.001825 -0.003343 -0.000512 -0.002358 -0.002074 -0.004182 -0.000870 -0.000705 0.000436 0.5613 0.6737 0.4808 -0.4686 0.7375 -0.4863 -0.6822 0.0476 0.7296 -0.0067 -0.0022 0.0089 -0.895 -0.299 1.194 -0.32 -0.107 0.426 -0.299 -0.1 0.398 1 C 13 0.2045 0.9057 -0.3713 0.9375 -0.072 0.3406 -0.2817 0.4177 0.8638 -0.0036 -5.0E-4 0.004 -0.138 -0.018 0.156 -0.049 -0.006 0.056 -0.046 -0.006 0.052 2 N 14 0.2505 -0.3052 0.9187 0.5909 0.7999 0.1046 0.7669 -0.5166 -0.3807 -0.0022 -6.0E-4 0.0028 -0.297 -0.081 0.377 -0.106 -0.029 0.135 -0.099 -0.027 0.126 3 C 13 0.7428 0.6686 -0.0357 0.0622 -0.0158 0.9979 -0.6667 0.7435 0.0534 -0.0029 0.0 0.0028 -0.385 0.005 0.38 -0.137 0.002 0.136 -0.128 0.002 0.127 4 C 13 0.431 -0.2926 0.8536 0.7306 0.6684 -0.1398 -0.5296 0.6839 0.5018 -0.0074 -0.0034 0.0108 -0.284 -0.132 0.416 -0.101 -0.047 0.149 -0.095 -0.044 0.139 5 N 14 0.4383 0.0189 0.8986 0.1502 0.9842 -0.0939 0.8862 -0.1761 -0.4285 -0.002 -9.0E-4 0.0029 -1.07 -0.49 1.56 -0.382 -0.175 0.557 -0.357 -0.164 0.52 6 H 1 0.2817 -0.2888 0.915 0.5889 0.8049 0.0728 0.7575 -0.5184 -0.3968 -7.0E-4 -6.0E-4 0.0013 -0.39 -0.308 0.698 -0.139 -0.11 0.249 -0.13 -0.103 0.233 7 H 1 0.1223 -0.3793 0.9172 0.8965 0.4386 0.0619 -0.4258 0.8147 0.3937 -0.0012 -0.0011 0.0023 -0.665 -0.57 1.235 -0.237 -0.204 0.441 -0.222 -0.19 0.412 8 H 1 -0.1098 -0.6575 0.7454 0.9381 0.1792 0.2962 -0.3284 0.7319 0.5971 -0.0103 -0.0029 0.0132 -5.505 -1.526 7.031 -1.964 -0.544 2.509 -1.836 -0.509 2.345 9 H 1 0.6393 -0.5125 0.5733 0.554 0.824 0.119 -0.5333 0.2415 0.8107 -0.0512 -0.0325 0.0837 -6.872 -4.36 11.232 -2.452 -1.556 4.008 -2.292 -1.454 3.747 10 C 13 -0.4816 0.1569 0.8623 0.8762 0.1051 0.4703 -0.0169 0.982 -0.1881 -0.0089 -0.0064 0.0153 -4.728 -3.432 8.16 -1.687 -1.225 2.912 -1.577 -1.145 2.722 11 H 1 -0.2651 0.9306 -0.2525 -0.5492 0.0695 0.8328 0.7925 0.3594 0.4927 -0.0075 -0.0068 0.0144 -4.016 -3.65 7.666 -1.433 -1.302 2.735 -1.34 -1.218 2.557 12 H 1 0.7281 0.6402 0.245 -0.3886 0.6799 -0.6218 -0.5647 0.3576 0.7438 -0.4269 -0.4217 0.8486 -57.287 -56.591 113.878 -20.442 -20.193 40.635 -19.109 -18.877 37.986 13 C 13 0.7604 0.549 0.347 -0.5658 0.2975 0.769 -0.319 0.7811 -0.5368 -0.0553 -0.0048 0.0601 -29.517 -2.571 32.088 -10.532 -0.917 11.45 -9.846 -0.857 10.703 14 H 1 0.1283 -0.1569 0.9792 -0.276 0.9428 0.1872 0.9526 0.2943 -0.0777 -0.0275 -0.0243 0.0518 -3.691 -3.257 6.947 -1.317 -1.162 2.479 -1.231 -1.086 2.317 15 C 13 0.0646 0.9353 0.3478 0.8596 -0.2292 0.4567 -0.5069 -0.2695 0.8188 -0.0682 -0.0484 0.1165 4.931 3.499 -8.431 1.76 1.249 -3.008 1.645 1.167 -2.812 16 O 17 0.4704 -0.3065 0.8275 -0.1451 0.8981 0.4151 0.8704 0.3153 -0.378 -0.2645 -0.2366 0.5011 19.137 17.121 -36.258 6.829 6.109 -12.938 6.383 5.711 -12.094 17 O 17 0.1604 0.9535 0.2553 0.8183 0.0162 -0.5745 0.5519 -0.3011 0.7776 -0.0038 -0.0031 0.0068 -0.503 -0.414 0.917 -0.18 -0.148 0.327 -0.168 -0.138 0.306 18 C 13 0.7975 0.4639 -0.3857 -0.3061 0.862 0.404 0.5199 -0.2042 0.8295 -0.0025 -0.0021 0.0046 -1.345 -1.129 2.474 -0.48 -0.403 0.883 -0.449 -0.377 0.825 19 H 1 0.6853 0.5739 -0.4483 -0.1287 0.7014 0.7011 0.7167 -0.4228 0.5546 -0.002 -0.0018 0.0038 -1.064 -0.949 2.013 -0.38 -0.338 0.718 -0.355 -0.316 0.671 20 H 1 -0.4591 -0.1417 0.877 -0.0756 0.9899 0.1203 0.8852 0.0111 0.4652 -0.0029 -0.0019 0.0048 -1.555 -0.987 2.543 -0.555 -0.352 0.907 -0.519 -0.329 0.848 21 H 1 0.4715 0.0887 0.8774 0.034 0.9924 -0.1185 0.8812 -0.0857 -0.4649 -0.0321 -0.0306 0.0627 -1.239 -1.18 2.419 -0.442 -0.421 0.863 -0.413 -0.394 0.807 22 N 14 0.4058 0.1995 0.8919 0.7551 -0.6229 -0.2043 0.5149 0.7564 -0.4034 -0.0023 -0.0017 0.004 -0.308 -0.232 0.54 -0.11 -0.083 0.193 -0.103 -0.077 0.18 23 C 13 -0.3057 0.9468 -0.1009 -0.2789 0.0123 0.9602 0.9104 0.3216 0.2603 -0.0029 -0.0013 0.0042 -0.394 -0.174 0.568 -0.141 -0.062 0.203 -0.131 -0.058 0.189 24 C 13 0.1112 0.3588 0.9268 0.7004 -0.6899 0.1831 0.7051 0.6287 -0.328 -0.0011 -9.0E-4 0.0021 -0.601 -0.498 1.099 -0.214 -0.178 0.392 -0.2 -0.166 0.366 25 H 1 0.41 0.0542 0.9105 0.7927 -0.5148 -0.3263 0.4511 0.8556 -0.254 -0.0017 -0.0012 0.003 -0.922 -0.657 1.579 -0.329 -0.235 0.564 -0.308 -0.219 0.527 26 H 1 -0.1218 0.7618 0.6362 0.8932 -0.1954 0.405 -0.4329 -0.6176 0.6567 -0.0015 -0.0012 0.0027 -0.817 -0.624 1.44 -0.291 -0.223 0.514 -0.272 -0.208 0.48 27 H 1 -0.4186 0.8402 -0.3447 -0.4307 0.1505 0.8899 0.7995 0.521 0.2988 -0.0022 -0.0015 0.0038 -1.191 -0.823 2.015 -0.425 -0.294 0.719 -0.397 -0.275 0.672 28 H 1 -0.3174 0.9088 0.2709 -0.0353 -0.2968 0.9543 0.9476 0.2933 0.1263 -0.0013 -0.0011 0.0024 -0.699 -0.564 1.264 -0.25 -0.201 0.451 -0.233 -0.188 0.422 29 H 1 -0.1684 0.8174 0.5509 -0.1637 -0.5743 0.8021 0.972 0.0448 0.2305 -0.0027 -0.0018 0.0045 -1.433 -0.957 2.39 -0.511 -0.341 0.853 -0.478 -0.319 0.797 30 H 1 0.8064 -0.319 0.498 0.2552 0.9473 0.1937 -0.5335 -0.0291 0.8453 -0.0349 -0.0324 0.0672 -5.971 -5.542 11.513 -2.131 -1.977 4.108 -1.992 -1.849 3.84 31 B 11 0.8632 0.4798 0.1574 -0.4981 0.8601 0.1099 -0.0826 -0.1732 0.9814 -0.0051 -0.0021 0.0073 -0.198 -0.082 0.28 -0.071 -0.029 0.1 -0.066 -0.027 0.094 32 N 14 0.4285 0.6738 0.602 0.9001 -0.2597 -0.3499 0.0795 -0.6917 0.7178 -0.0024 -0.002 0.0044 -0.322 -0.269 0.591 -0.115 -0.096 0.211 -0.107 -0.09 0.197 33 C 13 -0.7003 0.7082 -0.089 0.6842 0.7016 0.199 -0.2034 -0.0784 0.976 -0.0028 -0.0022 0.005 -0.372 -0.294 0.666 -0.133 -0.105 0.238 -0.124 -0.098 0.222 34 C 13 -0.4011 0.6891 0.6035 0.896 0.432 0.1023 0.1902 -0.5818 0.7908 -0.0018 -0.0015 0.0033 -0.979 -0.794 1.773 -0.349 -0.283 0.633 -0.327 -0.265 0.591 35 H 1 -0.1442 0.69 0.7093 0.9873 0.0525 0.1497 0.0661 0.7219 -0.6889 -0.0015 -0.0012 0.0027 -0.78 -0.666 1.447 -0.278 -0.238 0.516 -0.26 -0.222 0.483 36 H 1 -0.1778 0.5325 0.8276 0.9725 0.2236 0.0651 -0.1504 0.8164 -0.5576 -0.0032 -0.0027 0.006 -1.724 -1.462 3.186 -0.615 -0.522 1.137 -0.575 -0.488 1.063 37 H 1 -0.5451 0.8352 0.0734 0.771 0.4649 0.4352 -0.3293 -0.2938 0.8973 -0.0013 -0.001 0.0023 -0.691 -0.515 1.206 -0.247 -0.184 0.43 -0.231 -0.172 0.402 38 H 1 -0.4345 0.8884 0.148 0.8996 0.4202 0.1187 -0.0433 -0.1847 0.9818 -0.0015 -0.001 0.0025 -0.788 -0.56 1.348 -0.281 -0.2 0.481 -0.263 -0.187 0.45 39 H 1 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l716.exe) PT18621.900S 2024-09-24T17:07:22.000 -19.29007 -19.23504 -14.51936 -14.51461 -14.39082 -14.38591 -10.41154 -10.36276 -10.35937 -10.35826 -10.34326 -10.30203 -10.29954 -10.29770 -10.29390 -10.29052 -10.25772 -6.83089 -1.19259 -1.15722 -1.09581 -1.01419 -0.97046 -0.94927 -0.88102 -0.86835 -0.80293 -0.77221 -0.76770 -0.75623 -0.73574 -0.72060 -0.69957 -0.67302 -0.66478 -0.64303 -0.59737 -0.58487 -0.57728 -0.56983 -0.56858 -0.55738 -0.55092 -0.54284 -0.53515 -0.52569 -0.51730 -0.50829 -0.49956 -0.49325 -0.49183 -0.47592 -0.46383 -0.45021 -0.43950 -0.43384 -0.42903 -0.42450 -0.41946 -0.41176 -0.41121 -0.39473 -0.39089 -0.38227 -0.36037 -0.34138 -0.28592 -0.26220 -0.24001 0.07573 0.08451 0.11256 0.12792 0.14372 0.15423 0.16635 0.17557 0.17822 0.18175 0.19375 0.20097 0.20428 0.21111 0.21636 0.22345 0.22463 0.23084 0.23612 0.23957 0.24516 0.25223 0.26289 0.26597 0.27011 0.27665 0.28909 0.29351 0.30819 0.31445 0.32572 0.34152 0.34886 0.35612 0.36220 0.37737 0.38396 0.39301 0.41209 0.42026 0.43118 0.44074 0.46527 0.47623 0.49753 0.49856 0.50710 0.51182 0.53191 0.54078 0.54092 0.54886 0.56265 0.56434 0.57988 0.58355 0.58831 0.59409 0.60502 0.62163 0.62562 0.63464 0.63692 0.64867 0.67593 0.68434 0.69101 0.70046 0.70697 0.71381 0.71549 0.72193 0.72695 0.73388 0.73702 0.74148 0.74625 0.75279 0.75551 0.75962 0.76296 0.76761 0.77329 0.77918 0.78944 0.79175 0.79794 0.80253 0.80365 0.81519 0.81981 0.82508 0.82812 0.83285 0.84244 0.84510 0.84755 0.86235 0.86931 0.88099 0.88988 0.92286 0.93473 0.95012 0.95202 0.97075 0.97945 0.98776 1.00150 1.01783 1.03074 1.04615 1.05721 1.08395 1.08760 1.10674 1.13506 1.14986 1.16998 1.17302 1.18376 1.19710 1.21092 1.22506 1.23829 1.25646 1.25967 1.29425 1.29836 1.32708 1.33299 1.34849 1.35458 1.36647 1.37214 1.37985 1.38930 1.41123 1.41800 1.42321 1.43473 1.46783 1.48378 1.49840 1.51410 1.53238 1.54279 1.57118 1.58325 1.59442 1.59677 1.61240 1.61984 1.63720 1.64068 1.65631 1.66792 1.68039 1.69003 1.69595 1.70925 1.71650 1.73198 1.74616 1.75974 1.77970 1.79190 1.79491 1.82267 1.82714 1.83954 1.85573 1.86748 1.87248 1.88037 1.88488 1.89615 1.90691 1.91004 1.91609 1.92091 1.93534 1.93588 1.95362 1.95552 1.95709 1.96696 1.96789 1.97385 1.98151 1.98979 1.99468 2.00602 2.01989 2.02093 2.02961 2.03403 2.03855 2.05418 2.06368 2.06892 2.08079 2.08744 2.11261 2.12591 2.13869 2.14664 2.15549 2.16499 2.17080 2.19710 2.21682 2.23204 2.24106 2.26190 2.26890 2.29747 2.31549 2.33189 2.33848 2.34687 2.36653 2.37035 2.39891 2.40775 2.42397 2.43210 2.43709 2.44217 2.45835 2.46277 2.47583 2.48848 2.51615 2.52139 2.54532 2.56183 2.57150 2.58376 2.62067 2.64234 2.67634 2.69334 2.72680 2.73616 2.74362 2.74899 2.75710 2.76322 2.78097 2.78564 2.79242 2.79924 2.80991 2.81470 2.82396 2.84166 2.85589 2.91410 2.91849 2.93081 2.93511 2.95151 2.97202 2.98313 3.00870 3.01381 3.02502 3.03475 3.04071 3.05456 3.07267 3.08314 3.12045 3.13661 3.14307 3.15491 3.16270 3.19428 3.20084 3.22909 3.25215 3.26169 3.28771 3.29879 3.31061 3.33478 3.44037 3.55532 3.62385 3.71895 3.74786 3.76632 -19.28934 -19.23212 -14.51934 -14.51463 -14.39036 -14.38600 -10.41185 -10.36277 -10.35938 -10.35823 -10.34326 -10.30203 -10.29765 -10.29392 -10.29051 -10.29040 -10.25748 -6.82962 -1.19006 -1.15717 -1.09051 -1.01413 -0.96976 -0.94886 -0.87971 -0.85297 -0.79890 -0.77198 -0.76727 -0.75581 -0.73536 -0.71291 -0.69497 -0.67277 -0.66444 -0.63981 -0.59571 -0.58309 -0.57514 -0.56684 -0.56367 -0.55645 -0.54910 -0.53964 -0.53450 -0.52457 -0.51581 -0.50659 -0.49577 -0.49257 -0.48704 -0.47242 -0.45807 -0.44644 -0.43829 -0.43182 -0.42716 -0.42430 -0.41905 -0.40968 -0.40617 -0.39105 -0.37860 -0.37245 -0.35430 -0.33878 -0.27005 -0.25229 -0.00027 0.07689 0.08474 0.12796 0.13543 0.14391 0.15549 0.16919 0.17575 0.17887 0.18192 0.19440 0.20133 0.20565 0.21174 0.21668 0.22372 0.22542 0.23126 0.23798 0.24055 0.24609 0.25298 0.26329 0.26651 0.27112 0.27794 0.28984 0.29442 0.30962 0.31556 0.32683 0.34337 0.34996 0.35830 0.36563 0.37840 0.39018 0.39447 0.41465 0.42231 0.43358 0.44272 0.46825 0.48097 0.49858 0.50048 0.50849 0.51268 0.53464 0.54138 0.54277 0.55205 0.56462 0.56566 0.58355 0.58392 0.59142 0.59950 0.60603 0.62292 0.62753 0.63579 0.63956 0.66495 0.68067 0.68647 0.69305 0.70300 0.70819 0.71533 0.71909 0.72448 0.72855 0.73529 0.73808 0.74216 0.74805 0.75408 0.75636 0.76135 0.76384 0.76824 0.77450 0.78111 0.79055 0.79452 0.79991 0.80359 0.80487 0.81623 0.82091 0.82563 0.82883 0.83388 0.84336 0.84690 0.84903 0.86332 0.86979 0.88184 0.89058 0.92362 0.93632 0.95130 0.95272 0.97125 0.98136 0.98840 1.00317 1.01918 1.03210 1.04815 1.05821 1.08525 1.08905 1.10800 1.13640 1.15160 1.17258 1.17423 1.18511 1.19818 1.21395 1.22932 1.23885 1.25713 1.26198 1.29542 1.30171 1.32841 1.33370 1.34920 1.35968 1.36952 1.37345 1.38085 1.39244 1.41391 1.41915 1.42526 1.43814 1.46943 1.48794 1.49919 1.51591 1.53532 1.54524 1.57207 1.58571 1.59568 1.59840 1.61365 1.62112 1.63804 1.64130 1.65763 1.66984 1.68107 1.69053 1.69762 1.71031 1.71786 1.73317 1.74849 1.76128 1.78087 1.79356 1.79555 1.82350 1.82803 1.84091 1.85713 1.86875 1.87389 1.88116 1.88811 1.89734 1.90884 1.91189 1.91757 1.92127 1.93592 1.93702 1.95500 1.95766 1.95881 1.96792 1.96876 1.97675 1.98773 1.99054 1.99982 2.00991 2.02018 2.02255 2.03000 2.03567 2.04188 2.05476 2.06636 2.07795 2.08324 2.08834 2.11313 2.12720 2.14154 2.14752 2.15667 2.16820 2.17308 2.19850 2.21861 2.24058 2.24877 2.26361 2.27145 2.30355 2.31751 2.33215 2.34111 2.34860 2.36815 2.38076 2.39933 2.40892 2.42511 2.43220 2.43951 2.44345 2.45962 2.46368 2.47956 2.49110 2.51723 2.52224 2.54832 2.56385 2.57236 2.58554 2.62157 2.64844 2.67922 2.69361 2.73545 2.73659 2.74519 2.75015 2.76151 2.76499 2.78283 2.78995 2.79395 2.80193 2.81307 2.81735 2.82842 2.84268 2.85761 2.91469 2.91927 2.93235 2.93808 2.95322 2.97260 2.98600 3.00892 3.01498 3.02528 3.03636 3.04286 3.05574 3.07474 3.08768 3.12103 3.13719 3.14356 3.15612 3.16468 3.19561 3.20365 3.22943 3.25237 3.26221 3.29039 3.30031 3.31121 3.34014 3.44049 3.55758 3.62408 3.71913 3.74990 3.76968 2-A. -1.01353133e+00 1.12920992e+00 4.79199345e-01 1.81363113e+02 2.91687112e+00 1.73465108e+02 2.45633010e+00 1.28394245e+00 1.34937588e+02 -9.2601 -2.2649 -0.0007 -0.0007 -0.0006 4.8307 48.2575 60.3391 85.7940 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 48.2376 60.3351 85.7933 91.0921 107.6862 121.1157 138.3464 140.2017 157.7078 168.2149 175.2492 191.2223 193.7463 212.1875 240.8537 272.3519 275.1199 282.3337 299.1555 318.0808 330.2785 334.4122 347.9696 367.8356 378.1606 391.1951 482.1026 491.5881 527.0814 560.1033 642.5337 646.7667 662.5168 733.3596 751.1503 765.3286 803.0861 844.0327 861.6804 874.3499 891.8476 903.1482 943.3140 955.3820 966.6336 987.6661 1024.3810 1058.8992 1063.0242 1072.8634 1087.9261 1099.6120 1121.3704 1123.0941 1127.3799 1138.2692 1161.2524 1176.2718 1176.6128 1180.3613 1181.2432 1204.7971 1220.8552 1262.8556 1272.0172 1274.2108 1304.3243 1329.1237 1348.5149 1360.7604 1429.2692 1435.5812 1443.5547 1454.9958 1457.6967 1460.9048 1464.6179 1467.2962 1468.9177 1472.9922 1478.9069 1482.0810 1487.8230 1490.2316 1496.9005 1503.2181 1507.3329 1514.2255 1516.7734 1568.7588 1659.3373 1745.1656 2923.9931 2941.0463 2948.3442 2955.3239 3019.6080 3026.5106 3028.2092 3041.6671 3059.0831 3087.0019 3102.5869 3128.0285 3155.8213 3156.6761 3157.6745 3173.2794 3193.4107 3196.6647 3276.9028 3302.1916 3322.2950 3534.9525 3.3908 3.7574 3.4538 4.0086 3.4364 2.8971 2.8447 2.2915 2.1666 1.7332 1.6015 3.1268 3.6316 1.9740 1.2462 1.9466 3.1447 2.2615 1.4227 2.0918 2.7624 3.6114 2.5550 2.9520 3.1617 3.1348 2.9219 2.3939 3.4570 2.9311 3.4394 3.3648 1.9915 3.2926 1.4823 2.4944 4.3331 2.6970 1.5327 3.8770 1.2650 4.0434 5.7036 3.4520 1.1150 2.2052 2.3857 1.8345 1.8550 1.3794 1.3637 1.3292 1.6131 1.3000 1.2858 1.6207 1.9283 1.4398 1.6386 1.3047 1.4600 1.6055 1.5633 3.3360 4.6117 5.1902 2.5736 2.5968 1.9383 1.9380 1.4419 1.1958 1.3400 1.0481 1.1123 1.2284 1.1856 1.0448 1.0746 1.7627 1.0917 1.1210 1.0752 1.1923 1.0690 1.9114 1.1560 4.2801 1.0721 4.3280 2.8532 9.8698 1.0580 1.0537 1.0526 1.0558 1.0822 1.0897 1.0874 1.0876 1.0320 1.0602 1.0995 1.0947 1.1009 1.0975 1.1074 1.0928 1.0891 1.1078 1.0976 1.0932 1.1120 1.0827 0.0046 0.0081 0.0150 0.0196 0.0235 0.0250 0.0321 0.0265 0.0318 0.0289 0.0290 0.0674 0.0803 0.0524 0.0426 0.0851 0.1402 0.1062 0.0750 0.1247 0.1775 0.2380 0.1823 0.2353 0.2664 0.2826 0.4001 0.3408 0.5658 0.5418 0.8366 0.8293 0.5150 1.0433 0.4928 0.8608 1.6466 1.1320 0.6705 1.7463 0.5928 1.9432 2.9903 1.8564 0.6139 1.2674 1.4750 1.2119 1.2350 0.9355 0.9509 0.9469 1.1951 0.9661 0.9629 1.2372 1.5320 1.1737 1.3365 1.0710 1.2002 1.3731 1.3728 3.1346 4.3964 4.9650 2.5797 2.7028 2.0768 2.1144 1.7354 1.4520 1.6452 1.3073 1.3925 1.5446 1.4985 1.3254 1.3661 2.2533 1.4069 1.4507 1.4023 1.5600 1.4113 2.5447 1.5475 5.7821 1.4532 6.2755 4.6287 17.7105 5.3298 5.3700 5.3912 5.4331 5.8140 5.8811 5.8750 5.9285 5.6899 5.9526 6.2360 6.3108 6.4600 6.4433 6.5059 6.4835 6.5439 6.6694 6.9441 7.0233 7.2318 7.9713 0.1162 1.7019 1.3893 0.2943 3.3278 4.3532 0.8031 1.5600 0.2432 5.0298 1.4838 1.6659 3.7830 0.5222 0.9747 7.4835 0.8827 9.4504 2.3265 5.0487 24.9163 14.2049 0.7682 7.4035 12.2793 5.2913 3.1051 2.2905 12.7770 1.9510 0.4028 2.7862 2.0919 88.5137 30.6398 31.9709 23.1327 31.7041 48.8758 112.3998 29.3438 17.2712 6.9803 2.4374 38.9875 58.5348 136.8223 74.8140 82.5005 32.5504 0.4793 2.3733 56.5636 14.8597 18.9457 53.0835 44.1498 4.7793 27.2784 1.5732 14.4413 60.4525 17.3379 31.6652 52.8968 84.3765 77.2667 36.2059 192.6166 82.5202 66.3179 28.5191 30.8199 2.3076 2.9490 0.2546 9.3129 10.2808 3.3058 4.8849 18.7189 11.9733 6.9287 6.3308 4.5538 169.4303 14.2152 8.2838 7.7850 18.8075 79.3113 232.9536 105.4011 48.0156 119.3003 193.2833 128.6155 22.7497 71.9142 46.1755 35.0379 14.0611 36.7563 30.9443 2.2587 33.2707 19.4510 13.5257 11.1094 13.0734 651.4430 2.4377 0.4356 193.4745 -0.01 0.01 0.01 -0.03 0.00 -0.06 -0.06 0.00 -0.08 -0.06 0.01 -0.01 -0.03 0.02 0.04 -0.02 -0.01 -0.10 -0.08 -0.00 -0.13 -0.07 0.02 0.00 -0.02 0.02 0.09 -0.03 0.09 -0.05 -0.05 0.07 -0.11 -0.03 0.16 -0.05 0.01 0.07 0.02 0.04 0.10 0.06 -0.01 -0.01 0.07 -0.01 -0.03 -0.01 -0.03 -0.05 0.16 -0.01 -0.10 0.01 -0.02 -0.17 0.02 -0.01 -0.11 -0.06 -0.01 -0.09 0.07 0.01 0.00 -0.00 -0.04 0.08 0.16 0.04 -0.13 -0.02 -0.05 0.12 0.18 -0.06 -0.00 0.26 -0.05 0.20 0.16 0.09 -0.17 0.05 0.05 -0.16 -0.03 0.01 -0.16 -0.10 0.00 0.02 -0.02 0.05 0.01 -0.07 -0.02 -0.04 -0.11 0.21 0.07 -0.05 0.05 -0.08 -0.20 -0.03 0.01 -0.03 -0.14 -0.09 -0.13 0.25 0.10 0.06 0.28 0.07 -0.14 0.23 0.08 -0.04 -0.05 0.00 0.01 -0.06 0.03 -0.08 -0.05 0.04 -0.08 -0.03 0.01 0.01 -0.02 -0.01 0.07 -0.09 0.05 -0.10 -0.06 0.06 -0.15 -0.01 -0.00 0.04 -0.01 -0.04 0.13 -0.01 0.03 0.04 -0.01 0.02 0.03 -0.00 0.04 0.04 -0.01 0.03 0.07 -0.03 0.05 0.13 0.03 -0.02 0.04 0.09 -0.02 -0.10 0.03 -0.06 0.12 0.24 -0.06 -0.23 0.38 -0.07 -0.14 0.25 -0.07 -0.33 0.22 -0.06 -0.31 -0.02 -0.01 0.00 0.01 -0.03 -0.02 0.00 -0.03 -0.01 0.02 -0.06 -0.03 0.04 -0.00 -0.03 0.01 -0.03 -0.02 0.04 -0.02 -0.01 0.01 -0.06 -0.03 -0.01 -0.03 -0.01 -0.03 0.01 0.03 -0.06 0.03 0.05 0.02 0.08 0.06 -0.13 -0.01 0.04 -0.02 0.13 0.10 0.05 0.04 0.02 0.08 0.12 0.07 -0.08 -0.08 0.02 -0.16 0.07 0.07 -0.23 -0.05 0.03 -0.00 -0.00 -0.07 0.01 -0.03 -0.00 0.03 -0.07 0.17 0.03 -0.06 0.19 0.01 -0.02 0.03 0.02 -0.05 -0.05 0.04 -0.10 0.26 0.03 -0.07 0.30 0.00 -0.01 0.01 0.05 -0.05 -0.01 0.09 -0.03 0.05 0.09 -0.11 -0.04 0.02 -0.03 -0.02 -0.01 -0.04 -0.02 0.02 0.00 -0.03 0.02 0.01 -0.01 0.02 0.02 -0.07 0.05 0.04 -0.04 0.07 0.07 -0.03 0.05 0.05 -0.02 0.04 0.04 -0.08 -0.01 0.00 -0.08 -0.10 0.09 0.07 0.08 -0.12 -0.13 -0.12 0.14 0.06 -0.11 -0.01 0.21 -0.16 0.20 0.09 0.13 -0.18 -0.04 0.07 -0.11 -0.18 0.10 -0.16 -0.22 -0.01 -0.01 -0.06 -0.06 0.04 -0.00 -0.09 0.02 0.08 -0.04 0.14 -0.03 -0.08 0.04 0.06 -0.12 0.08 0.15 -0.12 -0.07 0.10 -0.07 0.21 0.01 -0.04 0.14 -0.04 0.01 0.16 -0.08 -0.05 0.03 -0.08 -0.03 -0.00 0.05 -0.01 -0.02 0.14 -0.03 -0.00 0.05 -0.06 0.03 -0.09 -0.01 -0.01 0.11 0.01 -0.05 0.26 -0.03 -0.00 0.08 -0.05 0.01 -0.10 -0.03 -0.01 -0.05 -0.08 -0.04 -0.05 -0.02 0.04 -0.05 0.03 -0.05 -0.03 0.08 -0.03 -0.03 -0.01 -0.09 0.04 -0.01 -0.09 0.02 -0.04 -0.11 0.09 -0.03 -0.12 0.04 -0.04 -0.09 0.02 -0.08 -0.15 0.06 0.01 -0.16 0.05 0.02 -0.01 0.00 0.18 -0.08 -0.10 -0.04 0.02 0.04 0.22 -0.21 -0.13 0.27 0.03 -0.17 0.17 -0.11 -0.10 -0.04 0.08 -0.02 -0.02 -0.03 0.08 -0.11 0.05 0.09 -0.01 0.04 -0.05 0.03 0.14 -0.05 0.05 0.15 0.02 0.01 0.18 -0.06 0.06 0.21 -0.01 0.08 0.17 0.09 0.03 0.09 0.03 -0.04 0.23 -0.07 -0.01 0.16 -0.05 0.06 0.21 -0.09 -0.00 -0.01 -0.02 0.01 -0.04 0.08 -0.01 -0.04 0.04 -0.04 -0.00 -0.08 -0.04 0.02 -0.12 0.05 -0.07 0.13 -0.01 -0.06 0.11 -0.07 0.01 -0.14 -0.04 0.03 -0.14 0.00 -0.06 0.00 -0.04 -0.08 0.01 0.03 -0.03 -0.02 0.04 -0.09 0.03 0.07 -0.09 0.01 0.00 -0.05 0.07 0.10 0.02 0.06 -0.09 -0.04 0.08 0.19 0.15 -0.03 0.24 0.04 0.04 0.36 0.24 -0.10 0.03 0.28 -0.09 -0.04 0.03 -0.01 -0.10 0.02 -0.04 -0.07 0.12 0.01 -0.11 0.08 -0.02 -0.15 0.01 -0.07 -0.06 -0.02 -0.05 -0.13 0.13 -0.02 -0.08 0.19 0.02 -0.01 0.14 0.05 -0.01 -0.02 -0.01 -0.01 -0.04 -0.03 -0.06 -0.07 -0.02 0.10 0.04 -0.03 0.01 -0.08 -0.13 -0.06 -0.01 0.09 -0.18 -0.16 -0.04 0.07 0.12 0.03 0.14 -0.02 -0.08 0.20 0.08 -0.04 -0.02 0.01 -0.05 -0.00 0.06 -0.06 0.07 0.05 0.02 0.10 -0.01 0.07 0.04 -0.03 0.02 -0.05 0.10 -0.06 0.09 0.09 0.04 0.15 -0.04 0.13 0.05 -0.07 0.02 -0.06 -0.02 -0.05 -0.14 -0.07 -0.10 -0.06 0.08 -0.05 0.02 -0.07 -0.01 0.08 -0.06 -0.03 -0.01 -0.05 0.03 0.05 0.01 0.07 -0.07 -0.04 0.03 0.03 0.12 0.07 0.01 0.14 0.05 0.08 0.16 0.12 -0.02 0.15 0.03 -0.04 -0.01 0.01 -0.02 0.02 0.08 -0.07 -0.08 0.03 -0.03 0.05 0.19 -0.09 -0.02 0.07 0.07 0.05 0.05 -0.08 -0.11 0.05 -0.07 -0.10 0.08 -0.11 -0.10 -0.02 -0.04 -0.00 -0.05 -0.01 0.02 -0.07 0.11 0.09 -0.12 -0.07 -0.09 -0.05 0.02 0.12 0.01 0.15 -0.02 -0.28 0.28 0.24 -0.11 0.09 -0.25 -0.05 -0.07 0.10 -0.06 -0.30 -0.19 -0.03 -0.01 -0.02 0.01 -0.01 0.07 -0.09 0.07 0.08 -0.07 0.12 -0.02 0.06 0.07 -0.07 0.11 -0.09 0.14 -0.13 0.08 0.14 -0.14 0.19 -0.05 0.12 0.09 -0.12 0.14 -0.03 -0.03 0.01 -0.00 -0.02 0.04 -0.02 -0.07 0.00 -0.06 -0.01 0.01 -0.09 -0.01 0.03 -0.07 0.00 0.01 -0.05 0.02 0.02 -0.08 0.01 0.01 -0.01 0.09 -0.02 0.00 0.02 0.01 0.09 0.14 -0.06 -0.10 0.17 -0.04 -0.02 -0.04 -0.01 0.09 -0.09 -0.10 -0.02 -0.02 -0.01 0.12 -0.21 -0.18 0.21 0.00 -0.12 0.02 -0.11 -0.07 0.00 0.02 -0.03 -0.01 -0.06 -0.01 -0.05 -0.00 0.02 -0.04 -0.02 0.01 -0.02 -0.02 0.00 -0.07 -0.04 0.04 0.10 0.09 0.00 0.07 0.00 -0.17 -0.03 0.07 0.30 -0.31 -0.23 0.02 0.12 0.14 0.10 0.16 0.10 -0.07 0.13 0.10 -0.02 -0.04 -0.00 0.01 -0.03 0.01 0.02 -0.03 0.01 0.01 -0.02 0.00 -0.01 -0.03 -0.00 -0.00 -0.04 0.01 0.02 -0.02 0.02 0.01 -0.02 0.00 -0.02 -0.04 0.00 -0.02 -0.04 0.05 -0.00 -0.09 0.02 -0.04 -0.03 0.12 -0.01 0.01 0.01 0.05 0.07 0.02 0.03 0.03 -0.01 0.03 -0.07 -0.06 0.14 0.15 0.03 -0.10 0.08 0.03 -0.00 0.26 0.50 -0.03 -0.19 -0.09 0.26 0.31 -0.26 -0.34 -0.03 -0.01 -0.01 0.02 -0.02 -0.02 -0.03 -0.03 -0.02 0.03 -0.07 -0.03 0.06 0.01 -0.03 0.01 -0.02 -0.02 0.02 -0.01 -0.02 -0.01 -0.09 -0.02 -0.07 -0.03 -0.00 -0.04 0.01 -0.00 -0.03 -0.01 -0.02 -0.01 0.00 -0.05 0.05 -0.00 -0.00 0.07 0.04 -0.17 0.05 0.03 0.07 -0.13 -0.05 -0.07 0.16 -0.05 0.08 0.11 0.10 -0.08 -0.04 -0.04 0.01 0.02 -0.01 -0.01 -0.01 -0.04 -0.10 -0.05 -0.06 -0.05 -0.05 -0.03 0.07 -0.00 -0.00 0.09 0.02 -0.07 -0.13 -0.08 -0.09 -0.11 -0.08 -0.03 0.14 0.00 0.02 0.12 0.03 -0.07 0.01 0.06 -0.05 0.05 0.03 -0.12 0.01 -0.01 -0.04 -0.02 -0.05 -0.05 -0.01 -0.02 -0.02 -0.02 -0.00 -0.01 -0.02 -0.04 -0.03 -0.00 -0.03 -0.01 0.00 -0.02 0.27 -0.07 -0.23 -0.09 0.19 0.15 -0.19 -0.10 0.01 0.04 -0.01 -0.07 0.04 -0.03 -0.02 0.14 0.01 -0.09 0.13 0.05 -0.18 0.00 -0.10 0.02 -0.02 -0.07 -0.11 0.11 -0.02 -0.04 0.25 0.02 0.08 0.14 0.02 0.03 -0.01 0.01 0.03 0.01 0.01 0.09 0.04 0.04 0.08 0.04 0.01 0.03 0.08 0.11 0.09 0.01 -0.02 0.18 0.07 0.06 0.30 -0.10 0.15 0.14 0.31 -0.08 -0.16 -0.08 -0.02 0.03 -0.00 -0.01 0.04 0.00 0.04 0.06 0.01 0.02 0.05 0.00 -0.05 0.03 -0.00 -0.06 0.03 0.01 0.05 0.07 0.02 0.04 0.06 0.01 -0.08 0.04 -0.01 -0.05 0.02 -0.01 -0.01 0.06 0.01 0.01 0.02 -0.05 -0.01 -0.03 0.03 -0.00 -0.06 0.02 0.01 -0.06 0.03 0.02 -0.03 0.04 -0.03 -0.10 -0.00 0.10 -0.01 0.01 -0.04 0.06 0.52 -0.14 -0.39 -0.15 0.26 0.32 -0.34 -0.27 0.02 -0.01 -0.00 -0.00 0.00 0.01 0.03 -0.02 -0.01 -0.00 0.01 0.01 -0.00 -0.01 0.03 -0.01 0.01 0.02 0.04 -0.04 0.00 0.03 -0.02 -0.02 0.04 -0.03 -0.02 0.01 -0.01 -0.00 0.00 -0.02 0.00 -0.01 -0.02 0.02 -0.03 -0.01 -0.01 -0.02 -0.03 0.04 -0.02 -0.02 -0.00 0.01 -0.02 0.02 -0.14 0.06 -0.07 -0.07 -0.13 0.04 0.09 0.04 -0.01 -0.00 0.01 0.02 0.01 0.02 0.08 0.03 0.03 0.04 0.02 0.03 -0.05 -0.00 0.02 -0.06 0.01 0.02 0.09 0.04 0.04 0.08 0.02 0.03 -0.11 -0.00 0.01 -0.09 -0.01 -0.01 0.02 0.01 -0.00 0.05 0.00 -0.04 0.02 -0.02 -0.01 0.00 -0.03 -0.02 -0.01 -0.03 -0.00 0.00 -0.02 -0.00 -0.01 -0.04 -0.01 0.02 -0.02 -0.02 -0.01 -0.03 -0.12 0.01 0.04 0.00 -0.08 -0.07 0.04 0.03 -0.02 0.01 -0.03 -0.00 0.01 -0.03 0.07 -0.03 -0.08 0.01 -0.04 -0.10 0.07 0.03 0.01 -0.06 0.03 -0.01 0.16 -0.02 -0.05 0.07 -0.08 -0.16 0.05 -0.03 -0.09 -0.02 0.00 0.02 -0.04 -0.02 0.03 0.02 0.02 0.02 0.05 -0.02 0.05 0.02 0.07 0.02 0.06 0.00 0.04 0.03 0.03 0.02 0.44 -0.29 0.25 0.15 0.43 -0.11 -0.40 -0.23 0.02 0.05 0.08 0.04 0.03 0.01 -0.01 -0.06 0.00 -0.01 -0.09 0.08 0.05 -0.01 0.12 0.08 0.08 -0.05 -0.06 -0.10 -0.05 -0.05 -0.15 0.10 0.06 -0.01 0.14 0.06 -0.05 -0.07 0.00 -0.10 -0.09 0.02 -0.06 -0.06 0.02 -0.01 -0.11 -0.05 0.01 -0.12 -0.07 -0.05 -0.09 -0.01 -0.05 -0.07 0.05 -0.08 -0.07 -0.05 0.03 0.06 -0.03 0.09 0.10 -0.01 0.09 0.10 -0.00 -0.04 0.08 -0.16 0.00 0.10 0.02 0.11 0.08 0.00 0.12 -0.01 -0.05 0.16 -0.12 -0.23 0.38 0.19 0.11 -0.12 0.14 0.09 0.26 -0.00 0.02 0.13 -0.10 -0.14 0.07 -0.02 -0.08 0.04 0.06 0.02 0.03 -0.01 0.00 0.00 -0.03 -0.03 -0.02 -0.09 0.01 0.01 -0.07 -0.03 -0.02 -0.03 -0.05 -0.00 -0.02 -0.04 -0.17 -0.03 -0.11 -0.07 -0.28 0.09 0.12 -0.02 0.07 -0.07 0.01 0.06 -0.07 0.04 0.04 -0.04 0.06 0.00 -0.02 0.02 0.01 -0.04 -0.01 0.05 -0.11 0.08 0.03 -0.03 0.09 -0.02 0.00 0.02 -0.01 -0.04 -0.05 0.03 -0.04 0.03 0.03 -0.14 -0.02 0.01 -0.06 0.09 0.04 0.09 -0.07 -0.07 0.13 -0.06 -0.09 0.12 -0.04 -0.09 0.26 0.05 -0.15 -0.02 -0.05 -0.03 -0.03 0.04 0.10 -0.26 0.31 -0.12 -0.28 -0.05 0.42 0.22 -0.16 0.19 -0.03 -0.01 0.00 0.02 -0.03 -0.02 0.00 -0.03 -0.02 0.04 -0.12 -0.15 0.15 0.03 0.03 -0.10 -0.00 0.02 0.08 0.01 -0.02 0.02 -0.11 -0.05 -0.06 -0.02 0.00 -0.05 0.03 0.04 -0.03 -0.00 0.02 -0.08 -0.04 -0.02 0.04 0.00 0.04 -0.08 -0.09 -0.02 -0.11 -0.03 -0.04 -0.10 -0.02 -0.03 0.06 0.01 0.08 0.08 -0.01 -0.01 0.05 0.01 0.06 -0.05 -0.03 0.07 -0.04 0.02 0.06 0.01 0.04 -0.01 0.03 -0.00 -0.03 -0.01 -0.05 0.02 -0.09 0.07 0.05 0.02 0.09 -0.04 0.06 -0.01 -0.08 -0.01 -0.08 0.01 -0.04 0.00 0.03 -0.08 -0.02 0.02 -0.05 0.02 0.03 -0.03 -0.02 0.01 -0.01 -0.02 0.01 -0.02 -0.02 0.00 -0.02 -0.02 0.02 -0.00 -0.01 -0.03 0.00 0.01 -0.01 0.02 -0.02 0.01 0.05 0.04 -0.03 -0.05 0.05 -0.02 -0.01 -0.03 -0.02 -0.10 -0.04 -0.06 0.09 -0.01 -0.08 -0.13 0.06 0.00 -0.21 -0.08 -0.11 -0.03 -0.10 -0.08 0.16 0.02 -0.06 0.09 -0.03 -0.18 0.11 0.01 -0.05 -0.02 -0.01 0.04 0.05 0.04 0.01 0.08 0.06 -0.02 0.07 0.05 0.02 -0.08 0.01 0.22 0.04 -0.07 -0.32 0.36 0.27 0.00 -0.15 0.24 -0.05 0.05 -0.23 0.06 0.36 0.19 0.05 -0.00 0.00 0.03 -0.01 0.01 0.03 -0.01 0.02 -0.00 -0.01 0.01 -0.01 -0.01 0.01 0.02 -0.02 0.02 0.01 -0.01 0.02 -0.02 -0.01 0.02 -0.03 -0.01 -0.00 0.01 -0.00 0.02 -0.01 -0.02 0.01 -0.01 -0.02 0.02 0.00 0.02 -0.01 -0.04 0.04 -0.00 -0.05 0.00 -0.02 -0.02 0.00 -0.02 -0.01 -0.02 -0.03 0.00 -0.02 0.01 0.01 -0.04 0.01 -0.01 0.00 0.02 0.02 -0.03 0.02 0.01 0.02 -0.01 -0.02 -0.03 0.01 -0.01 0.03 -0.01 -0.03 -0.07 0.17 0.26 -0.30 -0.07 -0.15 0.24 -0.06 -0.11 0.02 -0.03 -0.01 0.02 0.00 -0.03 0.04 -0.02 -0.04 0.01 0.00 0.01 -0.00 0.00 0.01 0.06 0.04 0.02 -0.03 -0.04 0.02 0.29 0.18 -0.35 0.22 0.15 0.42 -0.33 -0.20 -0.03 -0.08 -0.03 -0.05 -0.05 -0.12 0.05 0.02 -0.01 0.05 -0.03 0.06 -0.02 -0.03 0.08 -0.01 -0.03 0.07 0.03 -0.03 0.07 0.04 -0.04 0.07 -0.00 -0.06 0.11 -0.00 -0.03 0.06 0.05 -0.02 0.07 0.07 -0.04 0.07 -0.01 0.05 -0.02 -0.00 0.07 -0.01 0.07 0.06 -0.10 -0.00 0.04 -0.02 -0.04 0.04 -0.03 -0.07 -0.00 -0.00 -0.01 -0.03 -0.01 0.02 -0.02 0.00 -0.01 0.02 -0.01 -0.02 0.07 0.00 0.01 0.02 -0.01 -0.04 0.02 -0.01 -0.06 0.09 -0.06 -0.01 0.02 -0.06 -0.02 0.02 -0.05 0.03 -0.03 0.15 0.31 -0.33 -0.15 -0.25 0.36 -0.18 -0.15 -0.11 -0.16 0.06 -0.01 0.09 0.11 0.12 -0.09 -0.04 0.03 0.01 -0.00 0.02 -0.00 0.00 -0.09 -0.08 0.00 0.02 -0.01 0.00 -0.20 -0.21 0.19 -0.23 -0.09 -0.19 0.08 0.01 0.03 0.09 -0.07 0.03 0.03 0.10 -0.02 -0.09 -0.06 -0.02 0.01 -0.06 0.07 0.01 -0.06 0.05 0.01 -0.04 -0.03 0.02 -0.06 -0.04 0.02 -0.08 0.04 -0.01 -0.04 0.04 0.01 -0.02 -0.08 0.02 -0.06 -0.08 0.02 -0.10 0.04 -0.05 0.17 -0.09 -0.16 0.10 -0.20 -0.14 0.29 -0.03 0.09 0.05 -0.17 0.24 0.07 -0.23 0.01 -0.04 -0.04 -0.07 -0.06 0.04 -0.03 -0.07 0.03 0.00 0.09 -0.03 0.05 0.13 -0.02 0.09 0.14 0.00 -0.09 0.14 -0.16 0.10 -0.04 -0.02 -0.01 -0.00 0.04 0.04 0.06 0.02 -0.03 0.05 -0.05 0.01 -0.07 0.15 -0.12 0.04 0.08 0.01 0.15 -0.08 0.05 0.04 0.05 -0.00 0.11 0.12 0.04 0.03 0.01 0.03 0.06 0.03 -0.10 -0.01 0.05 -0.05 0.04 0.02 -0.15 -0.12 0.15 -0.22 0.02 -0.05 -0.03 0.03 0.06 0.09 -0.09 0.04 -0.07 0.25 0.03 -0.26 -0.06 -0.01 -0.11 -0.02 -0.05 -0.10 0.05 -0.03 -0.01 0.05 0.03 0.02 -0.02 0.02 -0.06 -0.05 -0.05 -0.16 0.12 0.01 0.03 0.10 0.08 0.09 -0.05 0.06 -0.05 -0.09 -0.04 0.05 -0.04 0.01 0.10 -0.01 0.08 0.09 -0.12 -0.01 0.00 -0.01 0.01 -0.02 -0.03 -0.00 -0.00 0.01 0.01 -0.01 0.00 0.01 -0.00 0.02 -0.01 0.01 -0.02 -0.01 0.03 -0.02 0.01 -0.01 -0.03 -0.02 0.02 -0.04 -0.01 0.06 -0.04 0.05 -0.05 -0.03 0.05 0.12 0.09 0.03 -0.05 -0.07 -0.25 0.15 -0.03 0.25 -0.36 0.02 0.18 0.02 0.04 0.03 0.06 0.31 -0.04 0.34 0.09 0.05 0.00 -0.01 0.01 0.09 0.07 -0.03 -0.01 0.01 -0.05 -0.01 -0.06 -0.02 0.10 -0.04 -0.20 -0.04 0.11 0.11 -0.20 -0.12 -0.07 0.03 -0.18 -0.12 -0.05 -0.04 0.04 -0.10 -0.11 0.04 -0.01 -0.00 0.06 -0.01 0.01 0.05 -0.01 0.03 -0.01 -0.01 0.02 -0.02 -0.01 -0.00 0.04 -0.04 0.04 0.02 -0.01 0.04 -0.04 -0.00 0.02 -0.06 -0.01 -0.01 0.02 0.04 0.01 -0.01 0.05 0.02 0.05 0.04 -0.06 -0.02 0.04 0.00 -0.04 0.05 -0.01 -0.07 0.01 0.00 -0.01 -0.02 -0.01 0.01 -0.01 -0.00 0.01 0.00 -0.01 -0.00 0.02 -0.02 0.01 0.02 -0.00 -0.02 -0.01 0.00 -0.01 0.02 -0.02 -0.07 0.02 0.02 -0.00 -0.08 -0.03 -0.02 0.04 -0.07 -0.16 0.18 0.03 0.15 -0.16 0.12 0.06 -0.43 -0.37 0.12 -0.18 0.44 0.12 0.29 -0.16 -0.26 -0.00 -0.00 -0.02 -0.03 -0.04 0.00 0.05 0.02 0.02 0.01 0.00 -0.00 0.03 0.09 0.04 0.10 -0.02 0.03 0.08 0.02 0.03 -0.03 0.06 0.02 0.02 -0.06 -0.01 0.09 0.04 0.00 0.06 0.02 -0.00 0.06 -0.03 -0.00 0.01 -0.04 -0.01 -0.01 0.01 -0.01 0.03 0.04 -0.00 0.11 -0.08 -0.00 -0.01 -0.07 -0.01 -0.06 0.03 -0.02 0.03 0.06 0.02 -0.07 0.01 -0.01 -0.08 0.01 -0.10 -0.09 0.10 0.01 -0.09 0.03 0.10 -0.14 0.09 0.22 -0.00 -0.04 0.01 0.03 -0.03 -0.05 0.07 -0.05 0.02 -0.04 0.08 0.01 -0.13 0.13 -0.06 -0.00 0.12 0.12 -0.08 0.11 0.01 -0.02 0.00 0.06 -0.04 -0.06 -0.05 0.05 -0.04 0.02 -0.05 -0.04 -0.10 -0.06 -0.00 -0.15 -0.05 -0.18 -0.05 -0.12 -0.35 0.22 -0.04 0.32 0.00 0.39 -0.17 -0.21 0.00 0.00 0.01 0.05 0.07 -0.02 -0.04 0.01 -0.02 -0.03 0.02 -0.02 -0.02 -0.06 -0.05 -0.11 0.06 -0.00 -0.10 -0.02 -0.03 0.03 -0.06 -0.06 -0.06 0.12 0.01 -0.15 -0.03 -0.03 0.01 -0.01 -0.09 0.01 -0.04 -0.10 0.03 -0.07 0.01 0.03 -0.06 0.03 0.02 -0.02 -0.07 0.06 -0.09 -0.07 0.04 -0.09 0.07 0.03 -0.07 0.11 0.02 -0.02 -0.07 -0.06 0.06 0.04 -0.14 0.00 -0.08 -0.11 0.15 0.08 0.06 -0.02 -0.07 0.17 -0.07 -0.21 -0.00 0.04 0.00 -0.01 0.04 0.03 -0.07 0.05 -0.02 0.04 -0.07 0.00 0.11 -0.11 0.05 -0.01 -0.12 -0.09 0.09 -0.11 0.01 -0.04 0.05 0.05 0.01 0.00 -0.04 0.03 -0.02 0.01 0.02 -0.02 0.00 -0.02 0.07 -0.18 0.09 -0.09 -0.08 -0.06 -0.26 0.18 -0.04 0.22 -0.02 0.26 -0.12 -0.18 -0.02 0.05 0.06 -0.06 0.05 0.10 -0.05 0.05 -0.07 0.05 -0.03 0.17 0.00 -0.02 -0.14 -0.01 -0.01 -0.13 -0.13 0.16 -0.13 0.02 -0.01 0.15 0.10 -0.18 0.11 0.15 0.02 0.26 -0.07 0.00 -0.11 -0.06 0.03 -0.09 0.00 0.01 0.05 0.01 -0.02 0.04 -0.05 -0.01 -0.11 -0.08 0.05 -0.05 0.03 0.02 0.14 0.06 -0.05 0.12 -0.04 -0.05 -0.06 0.05 0.03 0.02 0.13 0.07 0.02 0.03 -0.03 0.04 -0.04 0.08 0.02 -0.11 0.12 0.13 0.02 -0.05 -0.04 -0.03 -0.09 -0.06 0.12 -0.12 0.08 -0.10 0.16 -0.03 -0.19 0.22 -0.11 0.04 0.26 0.13 -0.22 0.25 -0.11 0.04 0.01 -0.04 0.08 0.06 0.04 0.01 0.06 -0.01 0.09 0.05 0.16 0.05 0.02 0.06 0.17 0.14 0.01 -0.03 0.07 -0.05 0.00 0.09 0.00 0.03 0.07 0.02 -0.01 -0.00 0.02 -0.10 -0.09 0.08 0.03 -0.02 0.00 0.06 -0.05 0.11 -0.01 0.04 0.04 0.12 -0.13 -0.10 0.11 0.11 -0.01 -0.02 0.08 0.17 0.12 -0.21 0.04 0.24 0.04 0.14 -0.06 -0.07 0.06 -0.05 -0.03 0.07 0.00 -0.01 -0.03 0.03 -0.07 -0.05 -0.01 -0.12 0.04 -0.08 -0.01 0.05 0.02 0.05 -0.07 0.07 -0.08 -0.12 -0.01 -0.15 0.02 0.00 -0.04 0.01 0.02 -0.03 0.08 0.05 -0.08 -0.02 -0.04 -0.02 0.06 -0.09 -0.01 0.09 -0.01 -0.00 0.01 0.02 0.01 -0.00 -0.01 0.01 -0.02 0.01 -0.01 0.01 0.00 -0.02 0.01 -0.01 -0.03 0.00 0.03 -0.03 0.03 -0.01 0.10 0.01 0.17 0.12 0.04 0.07 0.06 -0.02 0.19 0.11 0.41 -0.01 0.13 -0.15 0.52 0.14 -0.10 0.03 -0.08 0.09 0.02 0.23 -0.08 0.25 0.00 -0.13 -0.02 0.03 -0.02 -0.02 0.01 -0.04 -0.06 -0.01 -0.05 -0.04 0.03 -0.05 -0.09 -0.06 -0.01 -0.09 -0.02 -0.11 -0.02 0.01 -0.04 -0.00 0.01 -0.03 -0.04 0.10 -0.05 -0.10 -0.00 -0.08 0.02 -0.01 0.03 0.02 -0.03 0.05 0.00 -0.02 -0.03 -0.00 -0.01 -0.04 0.02 -0.02 0.04 0.02 -0.04 0.01 -0.00 -0.02 -0.06 -0.02 -0.00 -0.09 0.02 -0.02 0.04 0.11 -0.09 0.07 0.22 -0.01 0.22 0.15 -0.29 0.04 -0.00 -0.01 0.01 -0.10 -0.03 0.04 -0.00 -0.00 -0.00 -0.02 -0.02 -0.01 0.03 -0.02 0.03 -0.03 0.03 -0.02 -0.04 0.06 -0.04 0.00 0.05 0.01 -0.05 0.05 -0.05 0.02 -0.01 -0.09 -0.00 0.03 -0.03 -0.13 -0.05 -0.02 -0.01 0.04 -0.04 -0.00 -0.01 0.03 -0.04 0.07 -0.02 -0.12 0.04 -0.11 -0.07 -0.23 0.12 -0.35 -0.03 0.01 0.01 0.05 -0.01 0.06 0.20 0.01 -0.10 0.10 -0.11 0.04 -0.05 0.10 -0.06 -0.08 -0.14 -0.21 0.16 -0.14 -0.19 0.10 -0.13 0.07 -0.19 -0.04 0.04 -0.16 0.10 -0.00 -0.06 0.29 0.05 0.02 -0.00 0.05 -0.00 0.00 0.00 -0.01 -0.01 -0.01 0.03 -0.00 0.02 0.04 0.01 0.02 0.02 -0.02 -0.01 -0.04 -0.02 -0.04 0.04 -0.01 0.02 0.07 -0.01 -0.08 -0.03 -0.04 -0.20 -0.10 -0.22 -0.18 0.18 0.03 -0.09 -0.04 0.11 -0.19 0.03 0.29 -0.03 -0.03 0.02 0.06 0.02 0.00 -0.06 0.02 -0.07 0.03 -0.04 0.03 0.02 -0.06 0.03 -0.01 -0.07 0.02 0.08 -0.07 0.09 0.17 -0.14 -0.14 0.05 -0.03 0.07 0.02 0.08 -0.04 0.02 0.08 0.10 0.01 -0.20 0.28 -0.01 0.16 0.09 -0.17 0.18 -0.23 0.01 0.18 0.07 0.05 0.15 0.13 0.02 -0.02 0.00 -0.10 -0.00 0.06 -0.04 0.04 -0.08 -0.02 0.04 0.07 0.02 0.03 -0.17 0.05 -0.03 -0.11 -0.12 0.15 -0.14 -0.02 0.08 0.13 0.01 0.03 0.02 0.01 0.06 0.06 -0.04 -0.01 -0.04 -0.04 0.01 -0.04 0.01 0.01 0.03 0.02 -0.02 0.01 -0.03 -0.03 -0.06 -0.06 0.03 -0.04 0.03 0.02 0.08 0.05 -0.04 0.04 -0.02 -0.05 -0.05 -0.12 0.05 -0.02 -0.23 -0.02 -0.12 -0.20 0.22 0.03 -0.06 -0.00 0.07 -0.05 0.04 0.14 -0.02 -0.02 0.03 0.04 0.01 0.00 -0.03 0.02 -0.05 0.03 -0.02 0.02 0.02 -0.02 0.01 -0.00 -0.04 0.01 0.06 -0.04 0.04 0.03 0.03 -0.10 0.03 0.09 -0.03 -0.08 -0.02 -0.06 0.04 0.09 0.03 0.01 0.04 0.01 0.07 0.15 -0.05 -0.15 -0.06 -0.06 -0.06 -0.03 0.07 -0.14 -0.05 -0.12 0.03 0.02 -0.01 0.18 0.06 -0.00 0.02 -0.05 0.20 0.07 -0.11 0.03 -0.05 -0.10 0.31 -0.16 0.09 0.24 0.10 -0.21 0.27 0.06 -0.22 -0.13 0.01 -0.19 0.11 0.03 -0.12 0.14 0.01 0.00 0.01 0.00 -0.00 -0.04 0.01 -0.02 0.02 0.01 -0.01 0.02 0.00 0.01 -0.04 0.01 -0.01 -0.03 0.01 -0.03 0.04 0.00 -0.01 0.05 0.00 0.01 -0.02 -0.10 0.05 0.28 -0.18 0.01 0.33 -0.12 -0.01 0.30 0.02 -0.07 0.01 0.21 -0.22 -0.36 -0.00 0.03 0.02 -0.03 0.01 -0.03 0.04 0.01 0.04 -0.04 0.02 -0.04 -0.05 0.02 -0.04 -0.04 0.02 -0.03 -0.04 0.02 -0.04 0.03 -0.03 -0.08 0.02 0.02 0.00 -0.04 0.01 -0.05 0.02 0.02 0.05 0.02 -0.04 0.07 0.03 0.10 -0.01 -0.12 0.02 -0.11 -0.04 0.03 0.02 -0.05 0.02 -0.03 0.01 0.02 0.09 0.09 -0.02 0.01 0.05 -0.08 -0.08 -0.06 0.07 -0.07 0.12 -0.15 -0.16 0.04 -0.07 -0.08 -0.05 -0.05 -0.11 -0.08 0.09 -0.07 -0.15 0.25 0.05 -0.14 0.03 -0.26 -0.04 -0.02 0.01 -0.05 0.01 -0.00 -0.00 0.02 0.01 0.01 -0.02 -0.00 -0.03 -0.04 -0.02 -0.07 0.04 0.01 0.02 0.05 0.02 0.05 -0.03 -0.01 -0.03 -0.07 -0.01 0.06 0.00 -0.02 0.10 0.02 -0.13 -0.04 0.05 0.06 -0.02 0.04 0.02 -0.18 0.14 0.28 0.01 -0.04 -0.02 0.01 -0.03 0.02 -0.07 -0.01 -0.05 0.02 -0.01 0.02 0.03 -0.01 0.02 0.03 -0.01 0.03 0.02 -0.01 0.00 0.09 0.09 -0.00 -0.04 0.09 -0.10 -0.02 -0.07 0.07 -0.07 0.15 -0.29 -0.04 0.10 -0.11 -0.18 -0.05 -0.04 -0.02 -0.13 0.12 0.04 -0.22 0.24 -0.22 -0.12 -0.07 0.11 0.02 0.05 0.03 -0.05 0.08 0.05 -0.07 -0.07 -0.06 0.08 0.03 0.15 -0.14 -0.19 0.10 -0.12 -0.11 -0.09 0.05 -0.15 -0.08 0.14 0.07 -0.12 0.25 0.10 -0.11 0.06 -0.17 -0.03 -0.01 -0.00 -0.03 0.02 0.03 -0.01 0.03 -0.00 -0.01 0.01 -0.01 -0.03 -0.02 0.02 -0.06 0.05 0.02 -0.01 0.05 -0.01 0.02 0.00 -0.02 -0.03 -0.01 0.03 -0.05 -0.17 -0.16 -0.33 -0.35 -0.44 -0.14 0.23 -0.10 0.06 -0.18 0.00 0.11 -0.30 -0.25 -0.03 0.09 0.08 -0.05 0.08 -0.05 0.17 0.06 0.11 -0.07 0.03 -0.07 -0.09 0.02 -0.07 -0.10 0.01 -0.08 -0.06 0.02 -0.02 0.04 0.04 -0.00 -0.00 0.05 -0.04 0.01 -0.02 0.03 -0.02 0.08 -0.10 -0.01 0.04 -0.05 -0.05 -0.01 -0.02 0.01 -0.04 0.05 0.03 -0.06 0.09 -0.06 -0.04 -0.03 0.06 -0.05 -0.03 0.01 -0.00 0.05 0.00 -0.01 0.00 -0.01 0.02 0.06 0.04 -0.06 -0.05 0.01 -0.03 -0.01 -0.07 0.04 -0.04 -0.01 0.03 0.07 -0.02 0.05 0.06 -0.02 0.02 0.03 -0.01 0.00 -0.00 -0.00 -0.02 0.01 0.00 -0.02 -0.01 0.01 -0.03 -0.01 0.01 -0.03 0.00 -0.01 -0.01 0.01 0.01 -0.01 -0.03 0.01 -0.03 -0.01 0.01 -0.03 -0.01 -0.06 0.03 0.10 -0.13 0.01 0.28 -0.02 -0.05 0.07 -0.02 -0.04 0.04 0.07 -0.09 -0.11 -0.02 -0.00 0.02 0.00 0.00 -0.02 0.01 0.01 -0.00 -0.01 0.00 -0.01 -0.03 -0.00 -0.02 -0.01 0.01 -0.00 -0.02 0.01 0.00 0.19 0.03 0.00 -0.03 0.06 -0.07 0.08 -0.04 0.13 -0.10 0.25 -0.29 -0.11 -0.00 -0.07 -0.20 -0.12 -0.00 0.02 -0.07 0.12 0.12 -0.14 0.30 -0.09 -0.07 0.05 0.00 0.10 -0.05 -0.15 -0.03 -0.10 -0.05 0.08 0.04 0.04 -0.07 -0.09 -0.14 0.28 0.13 0.01 0.08 0.12 0.10 -0.03 0.12 0.08 -0.06 -0.02 0.15 -0.21 -0.22 0.13 -0.03 0.06 0.00 0.00 0.01 -0.04 0.03 -0.19 0.05 -0.05 0.25 -0.05 0.04 -0.24 0.04 -0.04 0.18 0.01 0.00 -0.03 0.12 -0.11 0.59 -0.12 0.11 -0.60 0.03 -0.02 0.13 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.02 -0.03 0.01 -0.01 -0.00 -0.03 -0.07 0.01 0.03 0.00 0.01 -0.02 -0.00 0.02 0.01 0.01 -0.01 0.01 0.01 -0.00 0.01 0.03 -0.01 0.02 -0.00 -0.01 -0.01 0.02 -0.01 0.02 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -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 -0.00 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 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.00 0.02 -0.00 0.01 -0.02 0.00 -0.00 0.03 0.00 -0.00 0.00 0.01 -0.00 0.04 -0.01 0.01 -0.06 -0.00 -0.00 -0.01 0.13 0.04 0.07 -0.18 -0.16 -0.28 0.04 0.54 0.12 0.22 -0.07 0.18 0.07 0.00 0.40 0.09 -0.00 0.05 -0.04 -0.11 -0.06 -0.13 0.10 -0.05 -0.11 0.01 -0.11 -0.17 0.09 -0.17 -0.00 0.09 0.04 -0.21 0.07 -0.20 -0.03 -0.00 0.01 -0.00 -0.02 0.01 -0.02 0.00 -0.01 0.01 -0.05 0.04 0.01 0.00 0.00 0.02 -0.01 0.01 0.00 -0.00 0.01 -0.03 0.03 -0.05 0.02 0.00 -0.01 0.01 -0.00 0.00 -0.01 0.00 -0.02 -0.01 0.02 0.01 0.01 -0.01 -0.04 -0.04 0.05 0.04 -0.02 0.03 0.03 0.01 -0.00 0.02 0.02 -0.02 -0.03 0.03 -0.04 -0.05 0.02 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.02 -0.00 0.00 -0.00 0.00 -0.01 0.03 -0.01 0.01 -0.04 -0.01 0.02 -0.05 0.01 0.06 -0.07 0.18 0.16 0.17 0.23 -0.16 -0.23 -0.02 0.04 0.11 0.59 -0.11 -0.53 -0.11 -0.07 0.16 0.05 -0.04 -0.06 -0.02 0.02 -0.08 -0.02 0.00 -0.02 -0.10 0.03 -0.08 0.01 0.03 0.07 -0.03 0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.02 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.02 0.02 -0.01 -0.00 0.01 -0.01 -0.00 -0.03 0.01 -0.00 0.03 0.02 -0.02 -0.01 -0.01 0.02 0.05 0.04 -0.05 -0.03 0.03 -0.04 -0.03 -0.01 0.01 -0.03 -0.02 0.03 0.05 -0.02 0.04 0.06 -0.02 0.01 0.02 0.05 -0.02 0.31 -0.03 0.00 -0.12 0.00 -0.03 -0.01 0.00 -0.03 -0.00 0.01 0.02 -0.14 -0.03 -0.01 -0.14 0.10 -0.10 0.44 0.06 -0.10 0.44 0.03 0.00 -0.06 0.02 0.01 -0.13 -0.12 -0.03 0.31 0.15 -0.15 -0.22 0.06 -0.07 -0.02 -0.17 0.06 0.33 -0.03 -0.00 0.05 0.00 0.01 -0.01 0.02 0.03 -0.00 -0.02 0.00 -0.02 -0.03 0.00 -0.02 -0.02 0.00 -0.01 -0.02 0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.01 0.01 -0.01 -0.00 -0.01 -0.01 0.01 0.00 -0.02 -0.03 0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.08 0.12 0.12 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.02 -0.01 0.04 -0.00 0.01 0.00 0.01 0.02 -0.02 0.01 -0.01 0.00 -0.03 -0.02 0.03 0.00 -0.03 -0.00 -0.02 0.02 -0.04 0.04 0.01 0.01 0.01 -0.02 0.03 -0.07 -0.02 0.03 -0.07 -0.02 -0.00 0.01 -0.05 0.07 -0.08 0.11 -0.12 0.63 0.13 -0.09 0.54 -0.03 0.02 -0.01 0.01 -0.02 0.05 0.10 0.00 -0.26 -0.08 0.11 0.12 -0.04 0.04 0.02 0.13 -0.05 -0.24 0.02 0.00 -0.03 0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 0.00 0.01 0.01 0.00 0.01 -0.01 0.01 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.01 -0.00 0.00 0.02 0.03 -0.01 0.01 0.02 -0.01 0.00 -0.01 0.01 0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.05 -0.11 -0.03 -0.01 0.01 -0.01 -0.03 0.04 -0.00 0.00 -0.00 -0.02 -0.03 0.02 0.01 -0.03 0.04 -0.00 -0.04 0.05 -0.01 0.02 -0.02 -0.01 0.03 -0.03 -0.04 0.01 -0.00 0.01 0.05 -0.06 0.19 -0.01 0.03 -0.10 0.02 -0.00 0.11 0.01 0.00 0.09 -0.04 0.02 -0.10 -0.05 0.08 -0.09 -0.11 0.10 -0.52 -0.08 0.09 -0.42 -0.05 0.04 -0.09 0.04 -0.04 0.02 0.14 -0.01 -0.34 -0.08 0.13 0.11 -0.05 0.04 0.02 0.16 -0.07 -0.30 0.01 0.00 -0.03 0.00 -0.01 0.00 -0.01 -0.02 0.00 0.01 -0.00 0.02 0.02 -0.00 0.02 0.02 0.00 0.01 0.01 0.00 0.01 -0.00 0.01 -0.00 0.01 0.03 -0.01 -0.00 0.00 0.00 0.02 -0.00 0.01 0.02 0.04 -0.02 0.02 0.04 -0.02 -0.01 -0.01 0.01 0.01 -0.01 0.03 -0.02 -0.00 -0.01 0.05 -0.15 0.04 -0.02 0.01 -0.02 -0.05 0.07 -0.00 0.01 -0.01 -0.05 -0.06 0.07 0.02 -0.06 0.08 0.00 -0.05 0.08 -0.00 0.03 -0.04 -0.05 0.04 -0.06 -0.09 0.02 -0.01 0.01 0.01 0.02 0.03 0.00 -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 -0.02 -0.01 -0.04 0.00 0.01 0.03 -0.03 -0.02 -0.09 -0.05 -0.11 -0.13 -0.04 0.26 0.26 -0.14 -0.38 -0.08 0.01 0.20 0.25 -0.25 -0.43 0.28 0.12 -0.27 -0.04 -0.09 0.04 -0.10 0.04 0.09 0.00 -0.01 0.01 0.03 0.04 0.01 0.09 0.04 0.04 -0.07 0.02 -0.10 0.03 -0.01 -0.02 0.00 0.02 -0.01 0.02 -0.00 0.03 -0.01 0.06 -0.04 -0.02 -0.01 -0.00 -0.02 0.01 -0.01 0.00 0.00 0.01 0.02 -0.01 0.06 0.01 -0.00 0.03 -0.11 0.05 -0.03 0.03 0.01 0.01 0.03 -0.04 -0.00 -0.01 0.02 0.05 0.05 -0.07 -0.02 0.03 -0.05 -0.01 0.03 -0.05 -0.00 -0.03 0.02 0.04 -0.04 0.05 0.09 -0.03 0.01 0.03 -0.04 0.07 0.03 -0.09 -0.03 -0.03 -0.00 0.00 -0.04 0.04 -0.03 0.02 0.03 -0.00 0.00 0.23 -0.30 0.49 0.10 0.11 0.14 -0.00 -0.01 -0.07 0.03 -0.05 -0.09 0.09 -0.05 -0.02 -0.02 -0.12 -0.22 -0.15 0.18 0.16 -0.08 0.03 0.06 0.13 -0.14 -0.34 -0.02 -0.01 -0.04 -0.00 0.02 0.00 0.00 -0.04 -0.00 0.01 0.00 0.02 0.03 -0.02 0.04 -0.01 -0.02 -0.03 0.04 -0.01 0.03 -0.02 0.01 0.02 -0.02 -0.09 0.05 -0.05 0.00 -0.07 -0.02 -0.10 0.07 -0.02 -0.10 0.06 -0.01 -0.11 0.05 -0.04 0.01 -0.07 -0.07 0.04 -0.14 -0.02 0.01 -0.06 0.17 0.23 0.04 -0.03 -0.03 0.01 -0.01 0.01 0.01 0.01 -0.02 -0.05 -0.03 0.06 0.02 0.01 0.01 0.03 0.01 0.01 0.01 0.01 -0.00 -0.03 0.01 -0.01 -0.04 0.02 -0.02 -0.07 0.01 -0.01 -0.02 0.00 0.01 -0.04 -0.02 0.02 -0.09 0.01 -0.01 0.08 0.01 -0.00 0.02 0.22 -0.12 0.78 0.05 -0.07 0.33 -0.07 0.07 -0.31 -0.02 0.05 -0.15 0.00 0.01 -0.01 0.03 0.03 -0.01 0.04 -0.01 -0.04 0.02 -0.00 -0.02 -0.01 0.02 0.05 -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 -0.01 0.00 -0.00 0.02 -0.01 -0.02 0.01 0.05 -0.03 0.01 -0.00 0.01 0.01 0.06 -0.03 0.01 0.03 -0.01 0.01 0.07 -0.03 0.01 -0.03 0.04 0.03 -0.02 0.07 -0.01 -0.01 0.01 -0.10 -0.10 0.07 0.01 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.02 0.02 -0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.02 -0.02 0.06 -0.11 0.02 0.00 0.06 -0.03 -0.04 0.05 -0.03 -0.04 -0.08 0.08 0.01 0.01 -0.10 0.09 -0.30 -0.08 0.01 -0.21 -0.06 -0.07 0.30 0.13 -0.05 0.13 0.15 -0.01 -0.06 0.05 -0.08 -0.31 -0.00 0.31 0.04 -0.03 0.01 0.05 0.17 -0.10 -0.25 -0.05 -0.03 -0.05 -0.01 0.07 0.02 0.01 -0.07 -0.02 -0.01 0.01 -0.00 0.06 -0.04 0.05 -0.07 -0.04 -0.11 0.07 -0.04 0.05 0.03 -0.03 -0.03 0.01 0.05 -0.03 0.01 -0.00 0.01 0.01 0.07 -0.01 0.01 0.04 -0.01 0.01 0.09 -0.03 -0.03 -0.02 0.01 0.03 -0.03 0.13 -0.04 -0.01 -0.01 -0.22 0.00 0.35 0.02 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.02 -0.09 -0.05 0.08 0.04 -0.02 0.04 0.05 0.02 -0.01 0.02 -0.01 -0.03 -0.14 -0.03 -0.01 -0.03 -0.00 -0.04 -0.15 -0.00 -0.00 0.00 -0.02 -0.00 -0.04 0.02 -0.01 0.08 -0.01 0.03 -0.09 -0.01 0.00 0.01 0.18 -0.14 0.55 -0.07 0.12 -0.46 0.13 -0.10 0.58 0.01 -0.02 0.12 -0.02 -0.00 -0.00 0.01 0.02 0.02 -0.00 -0.05 -0.01 0.00 0.00 -0.02 -0.02 0.02 0.02 0.00 0.01 0.01 0.01 -0.03 -0.01 -0.00 0.02 0.00 0.01 -0.00 0.00 -0.01 0.02 -0.01 0.03 0.02 0.05 -0.02 0.01 -0.01 0.00 -0.00 -0.00 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 0.02 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.03 -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 -0.01 -0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 0.06 -0.01 0.01 -0.03 -0.00 0.01 0.02 -0.01 0.01 -0.01 -0.00 0.00 -0.01 0.07 -0.04 0.26 -0.03 0.02 -0.10 0.01 -0.01 0.12 0.00 -0.02 -0.00 0.04 0.08 0.05 -0.02 0.05 0.06 0.27 0.21 -0.14 0.06 -0.05 0.14 0.18 -0.01 0.16 0.00 -0.10 -0.09 -0.05 0.25 0.08 0.01 -0.21 -0.05 -0.09 0.04 -0.08 0.09 -0.14 0.08 -0.34 -0.15 -0.46 0.13 -0.12 0.06 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.03 -0.01 0.02 -0.03 -0.01 0.01 -0.01 -0.01 -0.00 0.00 0.04 0.00 0.04 0.00 0.01 -0.01 0.05 0.00 0.05 -0.02 -0.03 -0.18 0.01 0.02 -0.02 0.02 -0.03 0.00 -0.02 0.02 0.07 0.04 -0.07 -0.01 0.02 -0.04 -0.02 0.01 -0.05 -0.00 -0.00 0.02 0.08 -0.00 0.02 0.05 -0.01 0.03 0.11 -0.09 -0.06 -0.05 -0.04 -0.19 -0.01 0.31 -0.13 -0.09 0.12 0.33 0.04 -0.24 0.06 0.07 -0.24 -0.02 -0.06 0.24 -0.31 -0.08 0.16 0.34 0.00 -0.28 -0.10 -0.01 -0.02 0.03 -0.06 -0.01 0.05 0.19 0.08 -0.11 -0.13 0.01 -0.03 0.04 0.09 0.00 0.05 0.02 -0.00 -0.02 -0.00 0.04 0.02 -0.00 -0.03 -0.00 -0.03 0.00 -0.02 0.02 -0.02 0.01 -0.06 -0.02 -0.08 0.01 -0.02 0.00 0.00 0.01 0.01 -0.00 0.00 0.00 -0.02 0.01 -0.03 0.01 -0.02 0.02 0.01 0.01 0.00 0.01 0.00 -0.00 -0.03 -0.01 -0.02 -0.00 -0.02 0.02 -0.05 -0.01 -0.06 0.04 -0.01 0.15 0.00 -0.02 0.03 -0.03 0.05 -0.00 0.02 -0.02 -0.05 -0.03 0.06 -0.01 -0.03 0.04 -0.00 -0.04 0.07 -0.01 0.00 -0.02 -0.07 -0.00 -0.01 -0.03 0.02 -0.03 -0.11 0.05 -0.07 -0.09 0.12 0.10 0.01 -0.11 0.08 0.04 -0.05 -0.06 -0.01 -0.05 -0.07 0.01 0.07 0.16 0.04 -0.22 -0.12 0.01 0.22 -0.15 -0.06 -0.06 0.03 0.03 -0.08 0.06 -0.09 -0.01 0.14 0.42 0.08 -0.31 -0.19 0.03 -0.05 0.06 0.13 0.05 0.16 0.04 -0.01 -0.02 -0.00 0.04 0.03 -0.01 -0.02 0.00 -0.04 0.00 -0.04 0.00 -0.02 -0.01 -0.07 -0.02 -0.10 -0.01 -0.02 -0.02 0.01 0.05 0.04 0.00 -0.04 0.03 -0.05 0.02 -0.09 0.01 -0.08 0.05 0.00 -0.03 0.01 0.00 -0.11 0.04 -0.06 -0.03 -0.05 -0.02 -0.04 -0.02 -0.13 -0.02 -0.18 0.19 -0.04 0.15 -0.00 -0.05 0.06 -0.07 0.11 0.00 0.03 -0.04 -0.09 -0.04 0.07 -0.03 -0.06 0.08 -0.04 -0.12 0.18 -0.03 0.00 -0.02 -0.10 0.02 -0.02 -0.07 0.04 -0.05 -0.19 -0.01 0.02 -0.00 -0.02 -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 0.02 0.01 0.02 -0.07 0.03 -0.06 0.04 0.06 0.04 0.12 -0.10 0.05 -0.11 0.17 -0.23 0.92 -0.02 -0.00 0.00 0.03 0.02 -0.00 0.02 -0.04 -0.03 0.01 -0.00 0.00 0.07 0.02 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 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 0.02 -0.03 -0.00 0.00 -0.01 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.02 0.03 -0.01 0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.02 0.04 -0.09 -0.00 0.14 0.07 -0.03 -0.02 0.01 0.01 -0.02 0.04 0.02 -0.13 -0.06 -0.01 0.01 0.23 0.22 -0.26 -0.46 -0.03 0.34 -0.07 -0.10 -0.10 -0.09 0.34 0.09 -0.00 0.00 -0.20 -0.16 0.01 -0.05 0.22 0.11 -0.03 0.02 -0.00 -0.10 -0.11 -0.16 -0.05 0.01 -0.01 -0.00 -0.02 -0.02 0.00 -0.00 -0.00 0.03 0.00 0.03 0.02 0.00 0.03 0.04 0.01 0.05 0.03 0.00 0.03 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.01 0.03 -0.01 -0.02 -0.04 0.02 -0.02 -0.02 0.01 0.03 0.00 0.02 -0.01 0.01 -0.05 0.03 -0.00 0.01 -0.06 0.12 -0.02 -0.01 0.03 -0.04 0.03 -0.06 -0.02 -0.02 0.02 0.04 -0.01 0.02 0.02 0.04 -0.03 0.05 0.11 -0.15 0.04 -0.00 0.01 0.04 -0.01 0.01 0.02 -0.03 0.02 0.11 0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.03 0.04 -0.04 -0.05 0.00 0.06 -0.02 -0.01 -0.00 0.00 0.02 -0.01 -0.01 -0.02 -0.00 0.01 0.06 -0.06 -0.08 0.02 0.00 0.00 0.01 0.05 0.03 0.02 0.01 -0.01 0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.02 -0.01 -0.00 -0.01 -0.11 -0.12 -0.07 -0.06 0.10 -0.12 0.04 -0.08 0.16 0.04 -0.17 0.16 0.14 0.10 0.05 0.12 0.51 -0.20 0.08 0.12 -0.03 -0.05 0.11 -0.15 0.34 0.06 0.50 0.11 0.08 0.02 0.00 -0.02 0.03 -0.01 0.03 0.01 0.01 -0.02 -0.03 -0.00 0.00 -0.01 -0.03 0.03 -0.02 -0.05 0.06 -0.01 -0.01 -0.00 -0.04 -0.01 0.01 0.00 0.01 -0.02 -0.09 -0.00 -0.01 0.00 -0.01 0.03 0.00 0.03 -0.04 -0.01 -0.02 0.00 0.00 0.04 0.00 -0.01 -0.22 0.24 0.14 -0.01 -0.10 -0.03 -0.26 0.07 0.07 0.04 -0.01 -0.03 0.06 0.04 0.01 -0.26 -0.11 0.18 0.16 0.19 -0.08 -0.01 -0.01 0.01 -0.23 -0.16 -0.09 -0.05 0.01 -0.02 -0.03 -0.02 -0.05 0.01 -0.01 0.00 0.05 0.01 0.06 0.04 0.00 0.05 0.04 0.00 0.05 0.05 0.01 0.05 -0.01 0.00 0.00 0.01 0.00 0.01 -0.01 -0.00 0.01 -0.01 0.06 -0.04 -0.03 -0.01 -0.01 -0.03 -0.05 0.02 0.06 0.01 0.03 -0.03 0.00 -0.08 0.04 -0.01 0.00 -0.04 -0.00 -0.10 0.04 -0.05 0.09 -0.04 0.08 0.07 0.06 -0.06 -0.05 0.11 -0.15 -0.11 -0.01 -0.05 -0.13 -0.23 0.35 -0.08 -0.07 0.05 -0.07 -0.07 0.10 0.11 0.04 -0.08 -0.34 0.01 -0.02 -0.03 -0.03 -0.01 0.01 0.01 0.01 -0.00 -0.02 -0.01 0.00 0.03 0.01 0.00 -0.07 0.03 0.02 0.13 0.23 0.02 -0.25 0.07 0.07 0.03 0.03 -0.01 0.07 0.09 -0.04 -0.39 -0.11 0.47 0.04 0.14 -0.01 -0.01 -0.03 0.03 -0.22 -0.19 -0.09 -0.06 0.02 -0.04 -0.02 -0.02 -0.04 0.01 -0.01 0.00 0.04 0.01 0.05 0.05 0.00 0.06 0.04 0.00 0.04 0.05 -0.00 0.06 -0.01 0.00 0.01 -0.02 0.01 -0.01 -0.00 0.01 0.00 0.02 -0.13 0.08 0.06 0.05 0.01 0.05 0.09 -0.04 0.02 -0.02 0.04 0.00 -0.02 0.01 -0.02 -0.01 -0.04 0.11 -0.11 0.05 -0.02 0.02 -0.06 0.01 -0.02 -0.06 -0.05 0.05 0.05 -0.08 0.11 0.04 -0.03 0.09 0.08 0.17 -0.24 0.06 0.06 -0.04 0.06 0.06 -0.08 -0.09 -0.02 0.06 0.23 0.01 0.02 0.00 0.01 -0.07 -0.01 -0.04 0.08 0.02 0.03 -0.00 -0.00 -0.06 0.01 0.01 0.39 -0.47 -0.29 0.05 0.28 0.06 0.47 -0.14 -0.14 -0.08 0.07 0.04 0.03 0.03 0.01 -0.10 -0.03 0.05 0.17 0.13 -0.12 -0.00 -0.02 0.00 -0.13 -0.09 -0.04 -0.03 0.01 -0.02 -0.02 -0.01 -0.03 0.00 -0.01 -0.00 0.03 0.01 0.04 0.03 -0.00 0.04 0.02 -0.00 0.02 0.04 0.00 0.04 0.00 -0.01 -0.01 -0.00 0.01 0.00 0.01 -0.01 0.01 0.00 0.00 -0.03 0.01 0.06 -0.05 0.01 -0.02 -0.00 -0.01 0.02 -0.02 0.01 0.02 0.06 0.02 0.01 0.06 -0.04 -0.02 -0.01 0.01 -0.01 0.02 -0.01 0.02 0.02 0.02 -0.01 -0.01 0.03 -0.04 -0.03 -0.00 -0.02 -0.03 -0.06 0.10 -0.02 -0.02 0.01 -0.04 -0.02 0.02 0.04 -0.00 -0.02 -0.08 -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 0.02 -0.02 -0.01 -0.02 -0.03 -0.00 0.05 -0.01 -0.01 -0.00 -0.00 0.00 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 -0.01 0.03 -0.04 -0.06 -0.09 -0.04 0.06 0.09 0.04 0.01 -0.29 0.29 0.14 -0.13 0.24 0.11 0.43 -0.12 0.02 -0.19 0.28 0.16 -0.17 0.32 -0.26 -0.08 -0.37 -0.02 0.02 -0.03 0.00 -0.00 0.01 -0.00 0.01 0.01 0.01 -0.01 -0.01 0.02 -0.04 -0.01 -0.00 -0.01 -0.02 -0.03 0.05 -0.01 -0.01 0.02 0.01 -0.01 0.02 0.02 0.01 -0.01 -0.05 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.02 0.01 -0.01 -0.03 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.04 0.03 -0.01 0.05 -0.01 -0.04 -0.00 -0.02 0.00 -0.03 -0.03 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 0.01 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 -0.01 0.01 0.00 -0.01 0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.01 0.02 -0.02 0.03 0.01 0.03 -0.06 0.09 -0.04 0.07 -0.08 0.21 -0.21 -0.15 0.13 -0.27 -0.18 -0.20 0.34 -0.11 0.21 -0.24 -0.14 0.13 -0.29 -0.29 -0.06 0.06 0.49 -0.02 0.03 0.01 -0.02 0.01 0.01 -0.01 -0.02 -0.00 0.02 0.01 -0.00 0.03 -0.00 -0.00 -0.04 0.03 0.01 -0.13 -0.25 -0.02 0.11 -0.02 -0.02 0.03 -0.04 -0.03 -0.06 0.03 0.04 0.39 0.24 -0.31 0.35 0.09 -0.29 0.02 -0.09 0.02 -0.04 -0.07 0.09 -0.03 0.02 -0.03 -0.07 -0.01 -0.07 0.01 0.00 0.01 0.06 0.02 0.08 0.04 -0.01 0.07 0.02 -0.01 0.03 0.07 0.01 0.07 0.00 -0.01 0.01 0.03 -0.01 -0.03 -0.04 0.01 0.01 -0.02 0.13 0.02 -0.05 -0.16 0.11 -0.06 0.10 0.00 0.12 0.01 0.10 -0.05 -0.04 -0.15 0.05 -0.03 -0.06 0.04 0.01 0.03 -0.01 0.00 -0.01 0.04 0.01 -0.02 -0.04 -0.02 0.01 -0.04 -0.08 0.10 -0.15 0.16 0.03 0.00 -0.16 0.02 0.01 0.07 0.20 0.07 0.02 -0.15 0.09 0.04 -0.01 -0.02 0.02 0.01 -0.02 0.02 0.00 -0.01 -0.02 -0.00 0.01 0.02 0.00 0.03 -0.01 -0.01 -0.02 0.02 0.04 -0.13 -0.26 -0.03 0.03 0.02 0.00 0.04 -0.06 -0.04 -0.01 0.01 0.01 0.08 0.05 -0.06 0.08 0.03 -0.07 0.01 -0.02 0.01 -0.01 -0.02 0.03 -0.01 0.00 -0.01 -0.02 -0.00 -0.03 0.00 -0.00 0.00 0.02 0.01 0.03 0.01 -0.00 0.02 0.00 -0.01 0.00 0.03 0.00 0.02 -0.00 0.01 -0.01 -0.07 0.02 0.06 0.08 -0.04 -0.04 0.04 -0.37 0.02 0.14 0.36 -0.23 0.16 -0.19 -0.03 -0.34 0.02 -0.33 0.10 0.11 0.39 -0.13 0.07 0.16 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 0.01 0.01 0.01 0.00 0.01 0.01 -0.02 0.00 -0.00 0.01 0.03 0.01 0.01 -0.01 0.01 0.00 -0.01 0.00 -0.01 -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 -0.02 0.03 0.02 0.02 0.03 0.00 -0.06 0.01 0.01 -0.00 0.00 0.00 -0.03 0.01 0.02 0.15 0.09 -0.13 0.13 0.03 -0.11 0.01 -0.03 0.01 -0.00 -0.01 0.04 -0.01 0.01 -0.01 -0.02 -0.00 -0.03 0.00 -0.00 0.00 0.02 0.01 0.03 0.01 -0.00 0.02 0.00 -0.01 0.01 0.02 0.00 0.03 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.01 0.01 0.00 -0.04 0.04 -0.00 0.03 -0.00 0.02 0.00 0.02 -0.01 -0.01 -0.02 0.01 -0.01 -0.01 0.02 0.01 0.00 0.00 -0.02 -0.02 -0.08 -0.04 -0.02 0.08 0.06 0.03 -0.11 0.44 -0.07 0.31 -0.24 0.11 0.18 0.11 0.02 -0.04 -0.15 -0.43 -0.19 -0.03 0.39 -0.22 -0.08 0.07 0.05 -0.07 -0.02 0.08 0.02 -0.02 0.07 0.02 -0.01 -0.07 -0.06 0.00 -0.10 -0.02 0.01 -0.00 0.11 0.05 0.38 0.60 0.04 -0.42 0.04 0.09 -0.12 0.10 0.07 -0.03 -0.01 0.02 0.19 0.09 -0.20 0.13 0.03 -0.11 0.01 -0.02 0.00 0.03 0.01 0.04 -0.01 0.01 -0.01 -0.02 -0.00 -0.02 0.00 -0.00 0.00 0.02 0.01 0.02 0.01 -0.01 0.02 -0.00 -0.01 0.00 0.03 -0.00 0.03 -0.01 0.01 -0.01 -0.02 -0.01 0.01 0.03 -0.01 -0.01 0.00 -0.07 0.02 0.02 0.04 -0.02 0.03 -0.02 -0.01 -0.10 0.01 -0.10 0.03 0.04 0.12 -0.04 0.02 0.05 -0.02 0.08 0.01 -0.01 0.01 0.01 0.03 -0.01 0.01 -0.01 -0.02 -0.01 0.02 -0.08 0.04 -0.05 0.04 -0.01 -0.03 -0.03 -0.01 -0.01 0.05 0.09 0.03 0.03 -0.07 0.05 0.01 -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 -0.02 -0.02 -0.00 0.01 0.00 0.02 0.00 -0.00 0.00 -0.01 -0.03 -0.01 -0.08 -0.03 -0.19 -0.16 0.15 -0.33 -0.24 0.23 0.08 0.07 0.04 0.51 0.34 0.22 0.01 -0.02 -0.01 -0.11 -0.01 -0.12 -0.01 -0.01 -0.01 0.08 0.08 0.11 0.10 -0.10 0.16 -0.14 -0.07 -0.17 0.22 -0.05 0.15 -0.01 -0.00 0.01 0.02 0.00 -0.01 0.01 0.00 -0.01 -0.01 0.08 -0.02 -0.03 -0.06 0.03 -0.03 0.02 0.01 -0.03 -0.01 -0.01 0.01 -0.00 0.02 -0.02 0.01 0.00 -0.02 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.02 -0.01 -0.02 0.02 -0.03 -0.00 0.01 0.01 0.00 0.01 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.01 0.01 0.01 -0.00 -0.02 -0.00 0.00 0.01 -0.03 -0.01 0.01 -0.05 -0.01 -0.01 0.05 0.01 -0.13 0.11 0.06 0.04 0.03 -0.00 0.18 -0.11 -0.06 -0.02 0.14 0.05 -0.00 0.00 0.00 -0.02 -0.01 0.01 0.03 -0.00 -0.02 -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 0.01 0.00 -0.01 -0.06 -0.02 -0.05 -0.02 -0.01 0.03 0.02 0.01 0.07 0.00 -0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.01 0.00 -0.02 0.00 0.01 0.01 0.00 0.01 0.02 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 -0.02 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.08 0.06 -0.00 -0.09 -0.05 0.01 -0.07 -0.07 -0.00 -0.04 0.40 -0.15 0.34 -0.30 0.08 0.13 0.22 0.00 0.00 0.16 0.40 0.15 0.10 -0.31 0.20 0.05 -0.13 0.04 0.03 -0.00 -0.04 -0.00 0.01 0.02 -0.08 -0.02 0.03 -0.13 -0.03 -0.04 0.13 0.03 -0.36 0.32 0.20 0.12 0.09 -0.01 0.48 -0.28 -0.15 -0.05 0.38 0.14 0.00 0.01 -0.00 0.01 0.01 0.02 -0.04 -0.01 0.03 0.00 -0.01 0.01 0.03 0.00 0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.07 0.02 0.06 0.02 0.01 -0.03 -0.02 -0.02 -0.07 -0.01 0.01 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.01 -0.03 0.00 0.00 0.01 -0.01 0.01 -0.04 0.00 -0.04 -0.00 -0.03 0.01 0.00 0.02 -0.02 0.00 0.00 -0.00 -0.01 -0.00 -0.03 -0.03 -0.00 0.03 0.02 -0.01 0.03 0.03 0.00 0.01 -0.15 0.06 -0.14 0.12 -0.03 -0.04 -0.09 0.00 -0.00 -0.06 -0.16 -0.06 -0.05 0.13 -0.09 -0.02 0.07 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 -0.02 0.02 0.01 0.01 0.00 -0.00 0.03 -0.02 -0.01 -0.00 0.02 0.01 0.00 0.00 0.00 -0.01 -0.01 0.00 0.02 0.01 -0.01 -0.00 0.00 -0.00 -0.02 -0.01 -0.01 0.00 0.00 -0.00 -0.04 -0.02 0.05 -0.00 0.00 0.00 0.10 0.04 -0.09 -0.50 -0.19 -0.40 -0.23 -0.10 0.21 0.23 0.09 0.58 -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 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 0.01 0.01 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 0.01 -0.06 0.02 -0.05 0.05 -0.01 -0.02 -0.03 0.00 0.00 -0.03 -0.06 -0.02 -0.02 0.04 -0.03 -0.01 0.03 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.01 0.02 0.02 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.08 0.04 -0.03 -0.09 -0.05 0.06 0.00 -0.02 0.01 0.07 0.03 0.03 0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.01 0.01 0.01 -0.01 -0.01 -0.00 -0.02 -0.01 -0.00 0.03 0.00 0.03 0.08 -0.05 -0.07 -0.07 0.04 0.08 -0.07 0.06 0.05 0.05 -0.38 -0.05 0.14 0.39 -0.26 0.17 -0.25 -0.01 0.34 -0.03 0.34 -0.07 -0.16 -0.36 0.10 -0.07 -0.21 -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 -0.02 0.01 -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 -0.01 -0.01 0.01 -0.00 -0.00 0.01 0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.01 0.02 0.01 -0.01 -0.04 -0.01 -0.02 -0.01 0.00 -0.01 0.02 -0.00 -0.05 -0.11 0.08 -0.42 -0.33 -0.08 0.58 0.14 -0.46 0.02 0.14 -0.05 0.00 0.16 -0.04 0.01 -0.02 0.03 0.02 -0.01 0.01 -0.01 -0.01 -0.02 -0.02 0.02 -0.01 0.03 -0.04 0.04 -0.06 -0.02 -0.08 0.04 -0.03 -0.01 0.03 -0.02 0.01 -0.02 0.02 -0.00 -0.02 0.01 -0.01 0.01 -0.08 0.02 0.03 0.04 -0.01 0.03 -0.00 -0.02 0.04 0.01 0.02 -0.02 -0.03 -0.02 0.02 -0.02 -0.05 0.04 0.01 0.04 -0.00 -0.01 0.01 0.00 0.00 -0.02 -0.01 0.01 -0.01 -0.03 0.02 0.03 -0.03 0.05 0.04 0.03 -0.05 0.01 0.03 -0.04 -0.02 0.02 -0.05 -0.04 -0.01 0.01 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 -0.01 0.01 0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.03 0.01 -0.10 -0.08 0.03 0.03 -0.00 -0.02 0.02 0.02 0.01 0.23 0.16 0.11 -0.03 0.00 -0.03 -0.05 0.11 -0.01 0.01 -0.04 -0.01 0.07 -0.14 0.02 -0.18 0.31 -0.26 0.40 0.11 0.51 -0.37 0.23 -0.12 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -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 -0.01 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 0.00 -0.01 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 -0.15 0.16 0.06 0.07 0.19 0.02 0.12 -0.11 -0.05 0.07 -0.18 -0.05 -0.14 0.03 0.03 0.57 -0.28 -0.20 0.04 -0.33 -0.07 -0.39 -0.06 0.06 -0.17 -0.06 0.03 0.01 0.01 -0.01 -0.03 -0.01 0.07 -0.08 -0.03 0.06 0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.00 0.02 -0.01 0.01 0.00 0.02 0.00 0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.01 0.04 0.02 0.03 -0.01 0.02 0.00 0.08 -0.02 0.04 0.02 -0.00 -0.02 0.02 -0.01 0.05 0.01 0.05 0.01 -0.07 -0.00 0.04 -0.05 -0.05 -0.02 0.03 0.01 -0.02 0.02 0.04 0.01 0.00 -0.03 -0.01 0.00 -0.03 -0.04 0.07 -0.01 0.01 -0.01 0.03 -0.00 -0.02 0.02 -0.01 0.02 0.05 -0.01 0.00 0.02 0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.03 -0.01 -0.04 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.02 0.01 0.01 0.02 -0.01 0.07 0.05 0.02 -0.10 0.01 0.08 -0.00 -0.02 0.01 -0.06 -0.06 -0.02 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.16 -0.17 0.33 -0.08 0.13 -0.13 -0.09 0.00 -0.18 0.01 -0.11 0.19 0.28 0.22 0.08 0.18 0.46 -0.24 -0.12 -0.02 -0.15 -0.07 -0.01 -0.14 -0.13 0.01 -0.17 -0.02 0.01 -0.07 -0.10 0.11 0.07 0.05 -0.07 -0.00 0.05 -0.04 -0.05 0.03 -0.08 0.02 0.04 -0.05 0.01 0.06 -0.12 0.02 -0.08 0.05 -0.09 -0.04 0.06 0.07 -0.02 -0.07 -0.15 -0.04 0.03 0.03 0.00 0.05 0.01 0.03 -0.02 -0.01 0.03 -0.05 -0.01 -0.02 0.02 0.01 0.15 -0.09 -0.04 -0.02 -0.14 -0.02 -0.10 -0.02 0.01 -0.03 0.05 0.02 -0.01 0.02 -0.02 -0.06 -0.00 0.09 0.02 -0.01 -0.04 0.01 0.00 0.01 -0.06 -0.04 -0.02 -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 0.01 0.00 0.01 0.00 -0.00 0.01 -0.07 0.07 -0.12 0.04 -0.05 0.05 0.03 0.00 0.07 -0.00 0.07 -0.08 -0.12 -0.09 -0.05 -0.09 -0.16 0.10 0.06 -0.01 0.08 0.03 -0.01 0.06 0.05 0.00 0.07 0.05 -0.09 -0.03 -0.18 0.28 0.28 0.08 -0.18 -0.08 0.09 -0.07 -0.19 -0.09 0.03 0.12 0.11 -0.01 0.22 0.30 -0.35 0.05 -0.05 -0.01 -0.23 0.01 0.01 -0.07 0.01 -0.11 -0.31 0.02 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.02 0.01 0.00 -0.01 -0.00 -0.04 0.02 0.02 0.02 0.05 0.01 0.05 -0.00 -0.01 0.01 -0.07 -0.02 -0.00 -0.01 0.00 -0.01 -0.01 0.02 -0.00 0.01 0.01 -0.01 -0.00 -0.01 0.09 0.06 0.04 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 0.00 0.01 -0.01 0.01 0.15 0.23 -0.01 -0.09 -0.13 -0.03 -0.07 -0.13 0.02 -0.02 -0.22 0.30 0.23 -0.06 0.23 0.12 0.19 -0.12 0.17 0.28 -0.23 -0.19 0.27 -0.27 0.28 -0.00 0.32 -0.06 -0.05 0.01 -0.01 0.02 -0.01 0.01 -0.01 0.01 0.01 -0.01 0.00 0.02 -0.04 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.03 0.02 -0.01 -0.01 0.02 0.02 -0.01 -0.01 -0.03 0.01 0.02 0.00 0.01 0.00 -0.00 -0.00 -0.02 -0.00 -0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.01 0.02 0.00 0.04 0.06 0.00 0.05 -0.01 -0.01 -0.00 -0.11 -0.01 0.01 0.01 -0.01 0.05 0.03 -0.02 -0.11 -0.04 0.08 0.00 0.00 0.00 -0.15 -0.10 -0.08 0.04 -0.02 0.03 -0.02 0.02 -0.01 -0.00 -0.00 -0.01 0.01 0.00 0.01 -0.04 -0.00 -0.02 -0.03 -0.02 -0.03 -0.04 0.02 -0.06 0.02 0.00 0.02 -0.02 -0.01 -0.01 -0.01 -0.01 -0.01 -0.02 0.01 0.01 0.06 0.04 0.01 0.04 0.06 -0.03 0.01 0.01 -0.02 -0.01 0.02 -0.02 0.01 0.00 0.02 -0.08 0.03 -0.08 0.12 -0.12 0.20 -0.05 0.05 -0.13 -0.07 0.08 -0.10 -0.27 0.17 0.22 0.05 0.20 0.33 0.18 -0.17 0.02 0.32 -0.25 0.06 0.04 -0.32 -0.18 0.03 0.12 0.28 -0.06 -0.12 -0.01 -0.01 -0.02 -0.00 0.02 0.09 0.01 0.06 -0.04 -0.02 0.02 0.05 0.00 0.06 -0.12 -0.04 -0.16 -0.25 -0.01 -0.24 0.06 0.06 -0.00 0.54 0.10 0.02 -0.01 0.01 0.03 0.00 0.07 0.05 0.20 -0.01 -0.04 -0.05 -0.01 0.44 0.26 0.22 -0.10 0.06 -0.09 0.05 -0.05 0.03 0.01 0.01 0.02 -0.03 0.00 -0.04 0.10 -0.05 0.07 0.06 0.06 0.09 0.09 -0.07 0.10 0.01 0.00 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.00 0.02 0.02 -0.00 0.02 0.04 -0.01 0.01 0.01 -0.01 -0.01 0.02 0.01 -0.00 0.00 0.01 -0.02 0.03 -0.03 0.03 -0.03 0.04 -0.01 0.01 -0.02 -0.01 0.01 -0.02 -0.02 0.02 -0.00 -0.01 0.04 0.05 0.06 -0.02 0.02 0.06 -0.05 0.01 0.00 -0.05 -0.03 0.01 0.02 0.05 -0.06 -0.13 -0.01 -0.01 -0.03 -0.00 0.02 0.10 0.02 0.06 -0.04 -0.02 0.02 0.06 0.01 0.03 -0.09 -0.02 -0.16 -0.24 -0.01 -0.23 0.05 0.05 0.01 0.51 0.15 -0.03 0.01 -0.02 0.00 0.01 -0.13 -0.09 -0.25 0.04 0.06 0.06 0.02 -0.44 -0.29 -0.24 0.10 -0.05 0.08 -0.05 0.04 -0.03 -0.02 -0.03 -0.03 0.03 -0.00 0.03 -0.09 0.05 -0.06 -0.05 -0.06 -0.07 -0.09 0.07 -0.08 0.02 0.03 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.00 -0.02 0.03 0.02 -0.01 0.03 0.01 -0.01 -0.01 0.02 0.04 -0.03 -0.02 0.02 -0.04 0.02 -0.01 0.01 -0.01 0.03 0.03 -0.00 -0.00 -0.03 0.01 -0.00 0.01 0.00 -0.00 0.01 -0.01 0.01 0.04 0.00 -0.01 -0.01 -0.06 0.03 -0.03 -0.01 0.02 0.01 -0.01 0.03 0.03 0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.02 0.00 0.01 -0.02 -0.01 -0.01 0.02 0.00 -0.01 0.00 -0.00 -0.03 -0.03 0.00 -0.04 0.00 0.01 0.00 -0.02 0.01 0.02 -0.02 -0.00 0.12 0.06 0.23 0.04 0.41 -0.03 -0.09 -0.04 -0.06 0.15 0.12 0.05 0.07 -0.06 0.04 -0.01 0.01 -0.01 -0.00 0.04 0.01 0.04 0.00 0.05 -0.25 0.07 -0.15 -0.19 -0.16 -0.30 -0.16 0.10 -0.24 -0.00 0.00 -0.01 0.00 0.03 -0.02 -0.02 -0.00 -0.03 0.05 -0.14 0.11 -0.03 -0.10 0.13 -0.06 -0.19 0.02 0.13 -0.04 0.10 0.02 0.00 0.17 0.08 0.05 0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.03 0.00 -0.01 0.01 0.02 0.07 -0.13 -0.08 0.13 -0.12 -0.09 0.09 -0.18 0.10 0.00 -0.08 -0.11 0.07 -0.01 -0.09 0.03 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 0.01 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.00 0.05 0.02 0.10 0.03 0.17 -0.03 -0.03 -0.01 -0.02 0.04 0.04 0.01 0.02 -0.02 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.02 0.00 0.02 -0.09 0.04 -0.06 -0.07 -0.06 -0.12 -0.06 0.04 -0.08 -0.00 -0.00 0.00 -0.01 -0.07 0.05 0.04 -0.01 0.07 -0.11 0.29 -0.30 0.06 0.18 -0.23 0.19 0.38 -0.05 -0.19 0.11 -0.20 -0.06 0.13 -0.34 -0.27 -0.13 -0.26 0.01 -0.01 0.01 -0.00 0.01 -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 0.03 -0.07 -0.03 0.06 -0.06 -0.04 0.03 -0.08 0.05 -0.01 0.03 0.02 0.02 -0.08 -0.02 -0.07 -0.03 -0.05 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.01 0.01 0.00 -0.01 -0.01 0.00 -0.02 -0.00 0.00 -0.00 -0.02 -0.01 0.05 0.06 0.02 -0.21 -0.10 -0.14 0.11 -0.20 -0.02 -0.08 -0.05 -0.03 0.17 0.11 0.08 0.02 -0.03 -0.00 0.00 -0.00 0.00 0.00 0.03 0.02 0.03 -0.00 0.03 -0.17 0.08 -0.11 -0.12 -0.11 -0.24 -0.11 0.07 -0.14 0.00 0.00 0.01 0.01 -0.01 0.00 -0.01 0.00 -0.00 0.01 -0.01 0.02 -0.04 0.04 -0.11 -0.07 0.10 0.03 -0.02 0.02 -0.03 0.02 -0.06 0.03 0.08 -0.01 -0.02 0.01 -0.01 -0.01 -0.00 0.00 -0.01 0.05 -0.06 -0.00 0.01 -0.02 -0.05 -0.13 0.29 0.16 -0.21 0.18 0.09 -0.23 0.28 -0.19 0.02 0.13 0.20 -0.17 0.09 0.21 0.01 -0.01 0.25 -0.01 -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 0.01 -0.00 -0.01 0.01 0.02 0.00 0.02 -0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.02 -0.00 0.04 0.02 0.09 -0.01 0.10 -0.00 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 -0.01 0.07 -0.04 0.05 -0.04 -0.01 0.09 -0.03 0.03 0.02 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 0.01 0.00 -0.01 -0.04 -0.00 -0.04 0.06 0.05 -0.04 -0.02 -0.02 0.01 -0.02 -0.02 0.08 -0.08 -0.11 -0.02 -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 0.03 0.01 0.00 -0.03 -0.02 -0.01 -0.17 0.15 0.23 0.12 -0.18 -0.20 -0.36 -0.21 -0.06 0.14 -0.25 -0.12 -0.14 0.39 0.13 0.45 0.20 0.14 -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 0.01 0.00 -0.00 0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.04 -0.01 -0.02 -0.03 -0.01 0.12 0.06 0.13 -0.04 0.19 0.00 0.02 0.02 0.00 -0.04 -0.02 -0.02 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.04 0.03 -0.03 0.07 0.03 -0.04 0.05 -0.04 0.01 0.01 -0.01 -0.00 0.02 0.02 -0.03 0.03 -0.01 0.04 0.07 -0.09 0.40 -0.01 0.06 -0.10 -0.38 -0.12 0.13 -0.10 0.08 -0.12 -0.03 0.10 -0.21 -0.18 -0.09 -0.18 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.02 0.01 -0.00 -0.01 -0.03 0.15 0.03 -0.25 -0.20 0.16 0.05 0.27 0.14 0.05 0.07 -0.02 0.07 -0.13 0.15 0.14 0.15 0.06 0.18 0.01 -0.01 -0.01 -0.02 0.02 0.01 0.00 -0.02 -0.00 -0.01 0.01 0.00 0.01 -0.01 -0.00 0.03 -0.02 -0.02 0.02 0.01 -0.00 0.03 0.01 -0.00 0.00 0.08 0.02 -0.04 -0.06 -0.02 0.21 0.10 0.27 -0.08 0.35 0.01 0.03 0.03 0.00 -0.07 -0.03 -0.05 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.03 0.07 -0.00 0.05 0.03 -0.03 0.03 -0.01 0.09 0.01 0.00 -0.00 0.01 -0.03 0.03 -0.03 -0.00 -0.05 -0.01 -0.02 -0.13 -0.12 0.04 -0.20 -0.00 0.25 0.02 0.19 -0.05 0.14 0.01 -0.00 0.23 0.13 0.08 0.16 0.01 0.00 0.01 0.01 0.00 0.00 0.01 -0.00 0.01 0.02 -0.01 -0.06 0.00 0.20 -0.04 -0.10 -0.03 -0.19 -0.09 -0.09 0.01 0.02 0.22 0.29 -0.16 -0.07 0.20 -0.15 -0.08 0.23 -0.00 -0.03 -0.01 -0.02 0.04 0.01 0.00 -0.05 -0.01 -0.02 0.03 0.01 0.02 -0.02 -0.01 0.07 -0.04 -0.03 0.06 0.05 -0.00 0.09 0.00 -0.02 0.02 0.16 0.04 0.00 0.01 0.00 -0.04 -0.02 -0.09 0.01 -0.10 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 0.02 -0.12 0.00 -0.06 0.05 0.01 -0.09 0.04 -0.05 -0.08 -0.00 0.00 0.00 -0.01 -0.04 0.02 -0.03 0.01 -0.03 -0.07 0.17 -0.15 0.07 0.10 -0.10 0.12 0.18 -0.03 0.04 -0.01 0.03 0.05 -0.18 0.19 0.26 0.04 0.07 0.01 0.01 0.01 -0.02 -0.00 -0.01 -0.03 0.01 0.00 -0.02 -0.02 -0.00 0.16 -0.23 -0.21 -0.01 0.08 0.14 0.34 0.08 0.10 0.09 -0.19 -0.11 -0.10 0.30 0.08 0.35 0.15 0.10 -0.00 0.01 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 -0.01 0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.03 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.02 0.00 -0.03 -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 -0.04 -0.02 0.03 -0.25 0.34 -0.22 0.49 0.20 -0.43 0.32 -0.29 0.16 -0.00 0.00 0.00 -0.01 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.02 -0.08 0.00 -0.06 0.11 0.11 -0.07 -0.04 0.01 -0.04 0.04 -0.02 0.08 -0.05 -0.11 0.02 0.04 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.03 0.05 0.04 0.00 -0.02 -0.03 -0.07 -0.03 -0.02 0.02 -0.04 -0.02 0.01 -0.00 -0.01 0.02 0.01 -0.04 -0.01 -0.02 0.00 -0.01 0.02 0.00 0.00 -0.02 -0.00 -0.01 0.02 0.01 0.01 -0.01 -0.00 0.04 -0.02 0.00 0.03 0.03 -0.00 0.04 0.00 -0.01 0.01 0.08 0.02 0.00 0.01 0.00 -0.02 -0.01 -0.04 -0.01 -0.04 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 -0.01 -0.01 0.00 -0.01 0.10 -0.03 0.08 0.03 -0.08 0.05 -0.03 0.08 0.00 0.00 0.00 0.02 -0.02 -0.01 -0.02 0.01 0.02 0.01 0.02 0.27 -0.01 0.15 -0.24 -0.33 0.12 0.12 -0.10 0.19 -0.22 0.07 -0.30 0.10 0.37 -0.11 -0.21 -0.00 0.01 -0.01 0.00 0.00 0.00 0.01 0.02 0.01 -0.01 0.02 0.03 -0.05 0.10 0.08 0.07 -0.14 -0.19 -0.17 -0.20 0.01 0.06 -0.11 -0.05 0.07 -0.15 -0.07 -0.02 0.01 -0.23 -0.00 -0.08 -0.01 -0.06 0.12 0.03 0.01 -0.12 -0.03 -0.06 0.08 0.03 0.05 -0.05 -0.02 0.24 -0.17 -0.10 0.15 0.12 -0.01 0.21 0.01 -0.04 0.04 0.44 0.09 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 -0.00 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 0.17 -0.04 -0.15 -0.12 -0.17 -0.14 0.15 0.05 0.01 -0.01 -0.01 0.00 0.02 -0.02 0.03 -0.01 0.00 0.01 0.01 0.15 0.07 -0.00 0.09 -0.07 -0.16 0.02 0.05 -0.08 0.11 -0.06 0.27 -0.14 -0.34 0.03 0.06 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.02 -0.02 -0.00 -0.00 0.01 0.02 -0.05 0.08 0.08 -0.05 0.05 0.04 -0.10 0.09 -0.07 -0.03 -0.01 -0.05 0.09 -0.11 -0.09 -0.09 -0.03 -0.13 0.00 0.02 0.00 0.01 -0.03 -0.01 -0.00 0.03 0.01 0.01 -0.02 -0.01 -0.01 0.01 0.00 -0.06 0.04 0.02 -0.03 -0.03 0.00 -0.04 -0.00 0.01 -0.01 -0.10 -0.02 -0.01 -0.00 0.00 0.01 0.01 -0.02 -0.01 -0.02 0.00 0.02 0.01 0.01 -0.02 -0.02 -0.01 -0.02 0.00 -0.01 0.01 -0.02 0.00 0.00 0.01 0.00 0.00 -0.04 -0.02 0.31 0.53 0.03 -0.19 -0.16 -0.25 -0.24 0.33 0.49 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.02 0.03 -0.04 0.02 0.02 -0.01 0.04 0.03 -0.01 -0.02 -0.03 0.02 0.01 -0.05 0.01 0.04 0.02 0.04 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.01 0.00 0.01 0.05 0.02 -0.08 -0.08 0.04 -0.01 0.09 0.02 0.02 0.03 -0.08 -0.06 0.01 0.04 -0.02 0.08 0.04 -0.04 0.02 0.01 -0.00 0.00 -0.02 -0.00 -0.00 0.03 0.01 0.01 -0.02 -0.01 -0.01 0.01 0.00 -0.07 0.04 0.01 -0.04 -0.04 0.00 -0.05 -0.00 0.01 -0.01 -0.08 -0.02 0.00 0.01 0.01 -0.06 -0.03 -0.08 0.03 -0.09 -0.01 -0.01 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.07 0.01 0.02 0.02 0.05 0.03 -0.04 -0.05 0.02 -0.00 -0.01 0.01 -0.05 0.01 0.00 -0.01 -0.05 -0.04 0.14 0.19 0.05 0.23 -0.33 -0.27 0.23 0.11 0.12 -0.28 0.30 -0.05 0.19 -0.03 -0.26 0.18 0.35 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.01 0.01 -0.02 0.02 0.03 0.01 0.06 -0.01 -0.03 -0.01 -0.06 -0.03 -0.03 -0.00 0.11 -0.18 -0.08 0.03 -0.07 -0.02 0.10 0.06 -0.22 0.02 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.02 -0.00 -0.02 0.01 0.01 -0.01 0.00 0.00 -0.01 -0.01 -0.00 0.02 0.01 0.05 0.00 0.07 -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 0.04 -0.02 0.01 -0.00 -0.04 0.00 -0.00 0.02 -0.01 0.00 -0.02 -0.02 -0.03 -0.02 0.01 0.03 -0.00 -0.12 0.38 0.26 0.42 0.22 0.09 -0.04 -0.20 0.00 -0.22 -0.19 0.07 0.05 -0.24 -0.13 0.07 0.08 0.15 0.00 -0.00 0.01 0.01 -0.00 0.00 -0.01 0.02 -0.01 0.02 -0.02 -0.02 -0.07 -0.11 0.12 0.16 -0.08 0.04 -0.08 -0.06 -0.01 -0.19 0.21 -0.00 0.02 0.16 -0.04 -0.11 -0.07 0.29 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.02 0.02 0.01 -0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.05 -0.01 -0.03 -0.05 -0.01 0.18 0.09 0.27 -0.07 0.32 0.01 0.02 0.02 -0.00 -0.04 -0.01 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.01 -0.05 -0.07 -0.01 0.01 0.01 0.02 0.02 -0.03 -0.08 -0.00 0.00 0.00 -0.01 -0.02 0.01 -0.01 0.01 -0.00 -0.05 0.13 -0.05 0.11 0.05 0.03 0.10 -0.01 -0.04 -0.04 0.01 -0.02 0.03 -0.14 0.05 0.15 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.04 -0.07 -0.01 -0.02 0.01 0.06 -0.09 0.18 0.13 -0.22 0.24 0.22 -0.13 0.43 -0.21 -0.03 -0.17 -0.23 0.15 0.00 -0.17 0.07 0.04 -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 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.02 0.00 -0.01 -0.01 0.02 0.01 0.01 -0.01 -0.01 -0.00 -0.02 0.01 -0.02 0.01 -0.00 0.01 0.00 -0.00 0.00 0.01 0.00 0.01 -0.08 -0.07 -0.03 -0.07 -0.04 -0.02 -0.04 0.01 -0.13 0.00 0.01 -0.00 -0.02 0.01 -0.01 0.01 0.02 0.01 -0.02 0.05 -0.03 0.11 -0.05 0.20 0.16 -0.16 -0.07 -0.30 -0.18 0.02 0.04 -0.26 -0.22 0.06 0.07 0.13 -0.00 -0.00 0.00 -0.01 0.01 -0.01 0.01 -0.01 0.02 -0.01 0.03 -0.02 0.09 0.15 -0.15 -0.15 -0.01 -0.19 0.04 -0.08 0.05 0.32 -0.14 0.27 -0.18 -0.30 0.25 0.06 0.04 -0.26 -0.02 -0.04 -0.00 0.00 0.02 0.00 -0.01 -0.02 -0.00 -0.00 0.01 0.00 0.01 0.02 0.00 0.04 -0.01 -0.01 0.03 0.04 0.00 0.04 -0.00 -0.01 0.02 0.02 0.01 0.04 0.02 0.00 -0.04 -0.02 0.04 0.07 0.09 -0.03 -0.12 -0.05 -0.06 0.10 0.09 0.02 0.15 -0.07 0.10 -0.06 0.04 -0.05 -0.01 0.02 -0.00 -0.05 -0.00 -0.06 0.38 0.03 0.20 0.21 0.19 0.32 0.16 -0.08 0.41 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.07 0.22 0.04 0.23 0.07 0.12 0.10 -0.15 -0.04 0.08 0.04 0.00 -0.00 0.06 0.08 -0.01 -0.02 -0.05 0.01 0.00 0.01 -0.01 0.01 -0.01 0.01 -0.02 0.01 -0.00 0.01 -0.01 0.04 0.04 -0.05 -0.09 0.06 0.01 0.04 0.08 -0.01 0.14 -0.05 0.14 -0.09 -0.13 0.13 0.02 0.01 -0.11 -0.03 0.00 0.01 0.03 -0.02 -0.01 -0.01 0.01 0.00 -0.00 -0.01 -0.00 0.01 0.02 0.00 -0.05 0.06 0.03 0.00 0.02 0.00 0.01 -0.01 -0.00 0.01 -0.09 -0.03 -0.01 -0.00 -0.00 -0.00 -0.00 -0.02 -0.03 -0.06 0.01 0.03 0.01 0.02 -0.03 -0.03 -0.01 -0.05 0.02 -0.03 0.02 -0.01 0.01 0.00 -0.00 0.00 0.01 0.00 0.01 -0.09 -0.01 -0.05 -0.06 -0.05 -0.08 -0.05 0.03 -0.10 -0.03 -0.03 -0.01 -0.01 -0.01 -0.01 -0.02 -0.02 -0.00 -0.10 0.34 0.10 0.33 0.16 0.10 0.06 -0.19 -0.02 0.41 0.26 -0.03 -0.03 0.30 0.36 -0.02 -0.11 -0.22 0.02 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.01 0.02 -0.03 -0.03 -0.02 -0.02 0.00 0.12 -0.02 0.15 -0.09 -0.12 0.13 0.00 0.00 -0.08 0.38 0.12 -0.05 -0.24 0.04 0.06 0.05 0.07 0.00 0.07 -0.03 -0.02 -0.13 -0.14 -0.00 0.01 -0.22 -0.07 -0.18 -0.37 -0.04 -0.33 0.08 0.09 -0.17 0.27 0.11 0.01 0.01 0.00 -0.02 -0.00 0.01 -0.00 -0.01 0.01 -0.01 -0.01 -0.00 0.00 0.01 0.00 0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.01 0.01 0.01 0.01 0.01 0.01 -0.00 0.03 -0.01 -0.03 0.00 -0.00 0.02 -0.01 -0.00 -0.01 0.02 -0.00 0.04 0.02 0.05 0.00 0.07 0.02 -0.09 -0.02 0.12 0.19 -0.10 -0.01 0.11 0.11 -0.00 -0.11 -0.21 -0.02 -0.00 0.00 -0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.04 0.01 0.01 0.01 0.04 0.01 0.04 -0.01 0.14 -0.11 0.06 -0.08 -0.04 0.11 0.12 0.06 -0.10 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 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 0.01 0.01 0.00 -0.04 -0.02 -0.08 0.01 -0.08 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 -0.03 -0.07 0.01 -0.01 0.00 0.04 0.01 -0.02 -0.06 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.04 0.10 -0.03 0.10 0.02 0.07 0.10 -0.06 -0.04 0.04 0.03 -0.01 -0.00 0.03 0.04 -0.00 -0.02 -0.03 -0.01 0.01 -0.01 0.02 -0.02 0.04 0.01 -0.01 0.03 0.00 -0.01 0.01 0.13 0.46 -0.28 -0.39 0.05 -0.40 0.06 -0.22 0.10 -0.20 0.03 -0.24 0.17 0.15 -0.24 -0.04 -0.02 0.14 0.10 -0.21 -0.05 -0.05 0.11 0.03 -0.24 -0.16 0.02 0.30 0.02 -0.06 -0.06 0.17 0.04 0.15 -0.08 -0.04 -0.05 0.31 0.07 -0.23 0.23 0.09 -0.03 -0.66 -0.13 -0.01 -0.00 0.00 -0.00 0.00 -0.04 -0.00 -0.04 -0.00 0.02 0.01 0.01 -0.02 -0.01 -0.00 -0.03 0.01 -0.02 0.01 -0.01 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.01 -0.02 -0.01 0.01 -0.02 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.01 -0.03 0.00 -0.02 -0.02 0.01 -0.00 -0.01 -0.00 -0.02 0.01 -0.01 0.00 -0.01 -0.02 0.00 -0.01 -0.01 -0.02 0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.01 0.01 -0.00 0.01 0.01 -0.00 0.01 0.00 0.00 0.00 0.01 -0.06 0.16 0.04 0.10 -0.06 -0.03 -0.18 -0.09 0.02 0.20 0.08 -0.02 -0.03 -0.16 -0.02 -0.18 0.23 0.10 -0.03 0.29 0.06 -0.19 0.25 0.08 -0.09 0.71 0.18 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.01 0.00 -0.01 -0.01 -0.01 0.01 0.01 0.00 0.02 0.02 0.02 -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 -0.01 -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 0.02 -0.00 0.01 0.01 -0.01 0.00 0.01 0.00 0.01 -0.01 0.01 -0.00 0.00 0.01 -0.00 0.01 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 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.01 0.00 0.00 0.01 0.01 0.00 -0.02 -0.01 -0.00 0.03 0.03 0.00 -0.02 -0.00 0.00 -0.01 -0.03 -0.00 0.03 -0.03 -0.01 -0.07 -0.21 -0.01 0.03 0.02 -0.01 -0.03 -0.01 0.01 0.00 0.02 0.01 -0.11 -0.09 -0.05 0.22 0.19 0.13 0.14 0.64 0.31 0.02 -0.07 -0.01 -0.07 -0.38 -0.19 0.01 0.01 0.02 -0.11 0.08 -0.04 -0.13 -0.09 -0.19 -0.08 0.09 -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 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 0.02 -0.02 -0.01 -0.01 -0.02 0.01 0.00 -0.01 -0.02 0.01 0.01 -0.00 0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.02 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -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 -0.04 -0.04 0.04 0.06 0.01 0.04 -0.07 -0.09 0.05 0.01 -0.01 -0.03 0.62 0.59 -0.40 -0.19 -0.03 -0.12 0.06 -0.16 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 0.02 -0.05 -0.02 -0.00 0.01 0.02 0.24 0.06 -0.02 -0.43 0.59 0.43 -0.05 -0.01 -0.16 0.14 -0.24 -0.23 -0.15 -0.03 0.03 0.00 0.10 -0.04 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.03 0.01 0.01 -0.08 -0.11 0.06 0.01 -0.01 -0.03 -0.03 -0.03 0.02 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 -0.00 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 0.01 -0.02 -0.01 0.01 -0.03 -0.05 0.07 0.02 -0.01 -0.18 0.26 0.17 -0.02 -0.00 -0.06 -0.32 0.53 0.55 0.27 0.05 -0.04 -0.00 -0.21 0.08 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 0.05 0.01 0.03 -0.11 -0.15 0.08 0.01 -0.01 -0.04 -0.02 -0.02 0.02 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -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 -0.01 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 -0.01 -0.01 0.00 -0.00 -0.01 0.06 0.02 -0.01 -0.11 0.15 0.11 -0.01 -0.00 -0.03 -0.05 0.08 0.09 0.03 0.00 -0.00 -0.00 -0.03 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.05 0.03 -0.01 -0.01 0.00 -0.24 -0.05 -0.14 0.48 0.67 -0.35 -0.06 0.04 0.16 0.09 0.08 -0.07 0.02 -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 -0.01 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 0.04 0.01 -0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.01 0.01 -0.02 -0.02 0.04 0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.01 -0.01 -0.06 -0.03 -0.03 0.42 0.06 0.28 0.06 0.09 -0.05 0.02 -0.03 -0.08 0.10 0.11 -0.08 0.65 0.03 0.47 -0.09 0.17 -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 0.01 -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 -0.01 0.00 0.00 0.05 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.02 -0.02 0.06 0.01 -0.01 -0.00 -0.02 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.07 -0.02 -0.02 0.04 0.02 0.02 0.63 0.10 0.44 0.14 0.21 -0.12 0.02 -0.04 -0.11 -0.09 -0.10 0.07 -0.40 -0.01 -0.29 0.06 -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 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 -0.08 0.02 0.02 0.16 0.05 -0.01 0.01 -0.01 -0.01 -0.01 -0.00 -0.04 0.12 -0.23 -0.23 0.83 0.21 -0.12 -0.03 -0.26 0.13 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.07 -0.01 -0.05 -0.01 -0.02 0.01 -0.00 0.01 0.02 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.08 -0.00 0.03 0.01 -0.01 -0.01 0.88 0.26 -0.03 0.13 -0.20 -0.14 -0.09 -0.01 -0.18 -0.03 0.06 0.06 -0.13 -0.04 0.02 0.01 0.04 -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 -0.04 -0.01 -0.03 -0.01 -0.01 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 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 -0.02 -0.02 -0.04 -0.34 0.15 0.54 0.21 -0.40 0.05 0.40 0.44 -0.12 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.06 -0.03 -0.39 0.71 -0.07 0.36 0.01 0.44 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 -0.01 0.01 0.01 0.01 0.00 -0.00 0.00 0.03 -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 -0.03 -0.00 -0.02 0.01 0.01 -0.01 0.02 -0.02 -0.06 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 0.02 -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 -0.03 -0.08 0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.06 0.06 0.08 0.34 0.07 -0.05 0.05 0.84 -0.38 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 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 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.04 -0.08 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.07 0.05 -0.03 -0.20 -0.02 -0.14 -0.40 0.87 -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 -0.05 0.03 -0.05 0.22 -0.40 0.03 0.43 0.03 0.55 0.00 -0.01 0.01 -0.05 0.13 -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 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.02 0.01 0.04 0.00 0.00 -0.00 -0.10 -0.03 0.01 0.03 -0.03 -0.02 -0.17 -0.02 -0.42 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.03 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.00 0.00 0.00 0.04 0.01 0.02 -0.01 -0.01 0.00 -0.06 0.06 0.19 -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 -0.03 0.02 -0.03 0.12 -0.22 0.01 0.23 0.01 0.29 0.00 -0.01 0.00 -0.03 0.07 -0.04 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.04 -0.02 -0.07 0.00 -0.00 0.00 0.06 0.06 -0.02 -0.00 -0.00 0.00 -0.04 -0.01 -0.07 0.00 0.00 0.00 0.20 0.05 -0.02 -0.06 0.06 0.04 0.31 0.03 0.79 -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 -0.00 0.00 0.01 0.00 0.01 -0.02 -0.02 0.01 -0.02 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 -0.00 0.00 -0.00 0.02 -0.03 0.00 0.03 0.00 0.04 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.07 0.03 -0.06 -0.35 0.17 0.56 -0.01 0.04 -0.01 -0.46 -0.52 0.14 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.02 0.01 -0.00 -0.01 0.01 0.00 0.04 0.00 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 0.01 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 0.00 0.01 -0.01 0.01 -0.09 0.16 -0.02 -0.09 -0.01 -0.11 -0.00 0.01 -0.00 0.03 -0.08 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 0.01 0.00 0.01 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 0.02 -0.02 -0.08 -0.00 0.00 0.00 0.14 0.02 0.08 -0.06 -0.08 0.03 -0.28 0.26 0.86 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.05 0.09 -0.01 -0.10 -0.01 -0.12 0.03 -0.07 0.04 -0.30 0.79 -0.48 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.02 -0.04 0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.02 0.01 0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -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 -0.01 0.00 -0.00 0.00 -0.02 0.04 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.03 -0.09 -0.01 -0.15 0.06 0.24 -0.42 0.78 -0.10 0.22 0.23 -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 -0.08 -0.01 0.01 0.03 0.02 -0.00 0.03 -0.01 -0.01 -0.00 0.00 0.00 0.98 0.08 -0.13 -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 -0.00 -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 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.05 0.03 0.01 -0.02 -0.06 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.55 -0.27 -0.16 0.25 0.72 0.08 -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 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.07 0.03 0.02 0.03 0.06 0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.67 -0.32 -0.19 -0.21 -0.59 -0.07 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.69 0.72 -0.07 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 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 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 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 7 6 6 7 1 1 1 1 6 1 1 6 1 6 8 8 6 1 1 1 7 6 6 1 1 1 1 1 1 5 7 6 6 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 6 7 6 6 7 1 1 1 1 6 1 1 6 1 6 8 8 6 1 1 1 7 6 6 1 1 1 1 1 1 5 7 6 6 1 1 1 1 1 1 12.00000 14.00307 12.00000 12.00000 14.00307 1.00783 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 12.00000 1.00783 12.00000 15.99491 15.99491 12.00000 1.00783 1.00783 1.00783 14.00307 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 11.00931 14.00307 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 253.18358 3383.92836 4640.01557 6033.48983 0.9996 0.01518 0.02393 -0.01505 0.99987 -0.0054 -0.02401 0.00504 0.9997 asymmetric 1 0.02560 0.01867 0.01436 0.53333 0.38895 0.29912 903960.7 69.40 86.81 123.44 131.06 154.94 174.26 199.05 201.72 226.91 242.02 252.14 275.13 278.76 305.29 346.53 391.85 395.84 406.22 430.42 457.65 475.20 481.14 500.65 529.23 544.09 562.84 693.64 707.29 758.35 805.86 924.46 930.55 953.21 1055.14 1080.74 1101.14 1155.46 1214.37 1239.77 1257.99 1283.17 1299.43 1357.22 1374.58 1390.77 1421.03 1473.86 1523.52 1529.45 1543.61 1565.28 1582.10 1613.40 1615.88 1622.05 1637.72 1670.78 1692.39 1692.88 1698.28 1699.55 1733.43 1756.54 1816.97 1830.15 1833.31 1876.63 1912.31 1940.21 1957.83 2056.40 2065.48 2076.95 2093.41 2097.30 2101.92 2107.26 2111.11 2113.44 2119.31 2127.82 2132.38 2140.65 2144.11 2153.71 2162.80 2168.72 2178.63 2182.30 2257.09 2387.42 2510.90 4206.97 4231.51 4242.01 4252.05 4344.54 4354.47 4356.92 4376.28 4401.34 4441.51 4463.93 4500.54 4540.52 4541.75 4543.19 4565.64 4594.61 4599.29 4714.73 4751.12 4780.04 5086.01 0.344300 0.364015 0.364959 0.297218 -825.536824 -825.517110 -825.516166 -825.583907 228.423 74.246 142.573 0.000 0.000 1.377 0.889 2.981 42.487 0.889 2.981 32.916 226.645 68.284 65.793 1 0.595 1.978 4.888 2 0.597 1.973 4.446 3 0.601 1.959 3.754 4 0.602 1.956 3.636 5 0.606 1.943 3.310 6 0.609 1.932 3.082 7 0.614 1.915 2.827 8 0.615 1.913 2.801 9 0.621 1.894 2.577 10 0.625 1.882 2.455 11 0.627 1.873 2.378 12 0.634 1.852 2.216 13 0.635 1.849 2.192 14 0.643 1.822 2.025 15 0.658 1.778 1.797 16 0.675 1.724 1.581 17 0.677 1.719 1.564 18 0.681 1.706 1.519 19 0.692 1.675 1.422 20 0.704 1.639 1.320 21 0.713 1.615 1.259 22 0.716 1.607 1.239 23 0.726 1.579 1.175 24 0.740 1.538 1.089 25 0.748 1.517 1.047 26 0.759 1.489 0.996 27 0.838 1.290 0.704 28 0.847 1.269 0.679 29 0.882 1.190 0.594 30 0.916 1.118 0.524 0.453367e+22 21.656449 49.865818 0.410877e+07 6.613712 15.228635 0.200000e+01 0.301030 0.693147 0.158346e+09 8.199607 18.880293 0.348418e+07 6.542100 15.063742 coments ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.5761 2.8702 1.2180 4.0445 -99.6144 -103.8258 -111.9679 -10.4780 1.7288 1.5116 5.5216 1.3102 -6.8319 -10.4780 1.7288 1.5116 11.5837 50.0872 1.1257 -16.5477 9.3959 22.2824 6.3750 5.7893 8.1991 -7.8764 -2474.9306 -1800.3920 -973.8523 -104.7687 12.2950 -77.3361 41.0472 6.8607 -9.5756 -771.5694 -622.6671 -493.1757 12.0316 -21.4259 5.2097 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) 0 2-A -825.8811246 0.755775 0. 0.750024 9.544E-10 1.092E-5 0.3443004 0.3640149 -825.5171098 -825.5161656 -825.5839067 8.1728803,-3.9831173,-4.189763,5.0775676,-1.9216839,-2.4124204 C01 [X(C11H22B1N4O2)] 1.2203008 0.6484475 -0.7889073 0.2245692 -0.1419255 -0.0245915 -0.0833929 0.0760601 0.0209893 0.070473 0.0649576 -0.0053501 -0.3783908 0.0267763 0.054986 0.0759752 -0.5170733 0.1054729 -0.0252918 0.1088664 -0.1926082 -0.0186175 0.0398942 -0.053488 -0.0924655 0.1711867 -0.0740821 0.0125601 -0.1141535 -0.0533345 0.1866008 -0.0418294 -0.1107272 0.0649074 0.01736 -0.0472942 -0.1343014 -0.0038555 -0.0334497 -0.6163147 0.1262281 0.1344262 0.0577468 -0.3302984 0.0329208 0.1546645 -0.041062 -0.2038691 0.3009702 0.0136035 -0.0424952 0.0896832 0.4551906 -0.1472459 -0.0257347 -0.0813741 0.2703921 0.0656453 -0.0048811 0.0459758 0.003995 0.0994997 0.0214584 0.038141 0.0278503 0.1497759 0.1044491 0.0120433 0.0201583 -0.0043567 0.0593459 0.0366005 0.0261384 0.0311702 0.1457217 0.7342888 0.0119803 -0.2193163 -0.1573401 0.2361585 0.0646411 -0.1459817 0.000452 0.261149 -0.4282347 0.3396861 0.1636151 0.3272393 -0.5903125 -0.1023412 0.5299316 -0.5690877 -0.3140994 -0.0094288 -0.0970911 0.0365614 -0.0800948 0.0237267 0.0425948 -0.0357786 0.1745831 0.0993579 0.0416039 -0.0366385 -0.1301718 -0.027004 0.0442807 0.0074755 -0.1514472 0.0715814 -0.0532559 -0.2084812 0.0927799 -0.00954 -0.2030937 0.4090333 0.1026873 -0.1895438 0.0904182 -0.3733928 0.0371267 -0.0837611 -0.0765236 -0.0413658 -0.0511524 -0.0205786 -0.0940315 0.0719242 0.1150939 1.8631416 -0.1239949 0.269989 0.5281446 1.1110602 -0.2616528 0.3256506 -0.5717962 0.7658552 -1.6130787 -0.0912963 -0.2763114 -0.5223298 -0.461125 -0.0373222 -0.3703725 0.0949301 -0.5022457 -0.9391223 0.081846 0.0333321 0.0360216 -1.0656783 0.2757252 0.0328549 0.4749983 -0.6353872 0.7654174 -0.064253 0.181194 -0.0671398 0.2748373 -0.001955 0.3855409 -0.0228801 0.4011733 -0.0281319 0.0103104 0.0744675 0.0050952 0.0564937 -0.015815 -0.0446707 -0.026484 -0.0689247 -0.0412405 -0.0497947 -0.02208 -0.1210003 -0.0000444 0.0084075 -0.0101775 0.0338438 0.0524065 -0.0126662 0.020297 -0.0258248 0.1312214 -0.0651653 -0.0059325 -0.043566 -0.0432662 0.0348268 -0.995805 0.2600595 -0.1413912 0.1618575 -1.1246349 0.12449 0.0311059 -0.0602739 -0.7860968 0.211659 0.1583413 -0.0966987 0.0073985 0.7419451 0.0138518 -0.0716182 0.0750151 0.1854817 0.4574476 -0.1428636 0.1189087 0.0258848 0.1473281 -0.020483 0.1369078 -0.1497277 0.5624664 -0.1421263 0.1809812 0.0184725 0.0932238 -0.1318812 -0.0259974 0.0068581 0.0073817 0.0520445 -0.05501 -0.1542914 0.0902642 -0.056325 -0.1458174 0.0076922 0.1082657 0.1343424 -0.0874014 0.03059 -0.0832134 -0.0678056 -0.0288266 0.0355232 -0.0084808 -0.0730096 -0.0465226 -0.0975412 -0.0444437 -0.0485626 0.1136855 -0.0179009 -0.0075812 0.0995752 -0.0288089 0.0910958 -0.2150668 -0.1841814 0.1327629 -0.0384569 0.156694 -0.0383113 0.032079 0.0331563 -0.0420588 0.0003123 0.0350063 -0.0518219 -0.0072591 -0.082685 -0.1333149 -0.0676 -0.0188972 -0.027416 0.0239224 1.1963179 -0.1987962 0.2147783 -0.0934613 1.1346798 -0.0880538 -0.243151 0.4530037 0.9833823 -0.9007157 -0.1874984 -0.1289818 -0.1796995 -0.7687071 -0.0489863 -0.0638057 -0.2016593 -0.958787 0.5169384 0.1464171 0.0019359 0.1306085 0.5303146 0.0318871 -0.0547303 -0.0384062 0.08708 0.2177372 -0.1379535 -0.0833215 -0.0747735 0.2897334 0.0066587 -0.0276874 0.1168541 0.6536353 -0.1925903 -0.0147691 -0.0807322 0.0552949 -0.0023402 0.0614351 -0.1527414 0.0099972 -0.0159808 -0.0236668 0.0676808 0.0431826 -0.0595973 -0.2934781 -0.0371975 0.0058045 -0.1031214 0.0135715 0.0474886 -0.0013081 0.0366248 -0.0044758 0.0626082 0.0078539 0.0752415 0.0265411 -0.0969431 -0.0245358 0.0859294 0.074335 0.0908771 -0.199364 -0.1749608 0.0502014 -0.0628686 -0.1006505 -0.1365477 0.0314619 -0.1718292 0.0457008 0.0187446 0.0209772 -0.0703468 0.0098923 -0.0849175 -0.0436681 -0.0825356 0.0806534 -0.0902411 -0.0688305 0.0605057 0.0521977 0.036315 0.0216539 178.7790807|-5.5275952|173.8392401|-3.1009009|-8.7017555|137.1474877 0.000010475 0.000049976 0.000012065 -0.000015096 -0.000018356 -0.000024020 -0.000003057 -0.000004226 0.000002275 -0.000006506 0.000018234 0.000004511 0.000014945 -0.000033530 0.000020470 0.000007035 0.000004146 0.000014791 -0.000000758 0.000003090 -0.000002448 0.000001429 -0.000000439 -0.000002894 -0.000001958 0.000006219 -0.000015273 0.000004380 0.000010080 0.000015246 -0.000007823 0.000000309 -0.000006185 0.000001749 -0.000015203 0.000000108 0.000009451 -0.000010342 -0.000002778 -0.000003640 0.000001918 0.000001755 0.000004825 -0.000000940 0.000002170 -0.000014836 -0.000007115 -0.000008867 0.000000735 0.000001187 0.000000691 0.000008844 -0.000003804 0.000014313 -0.000000947 -0.000003021 -0.000002248 -0.000002129 -0.000000412 -0.000000011 -0.000000624 -0.000000179 -0.000001818 0.000002453 0.000018042 -0.000015395 0.000004973 -0.000000767 0.000014757 0.000005178 -0.000002255 0.000003281 -0.000000212 -0.000000171 -0.000001483 -0.000001156 -0.000002708 -0.000000980 0.000000965 0.000001444 0.000004781 0.000000426 0.000001172 -0.000002045 -0.000005713 0.000001479 -0.000003250 0.000000871 0.000003331 -0.000003427 -0.000021127 -0.000032659 -0.000027832 0.000014626 0.000022295 0.000032952 -0.000007793 -0.000008981 -0.000008589 0.000003637 0.000002409 -0.000025018 0.000002366 0.000001518 -0.000002185 0.000000781 0.000000897 0.000003097 -0.000001002 0.000001285 0.000004948 -0.000002557 0.000002390 0.000002181 -0.000001848 -0.000000614 0.000001823 -0.000001362 -0.000005699 0.000000532 230.9543 AuxInfo=1/0/N:23,24,33,34,18,13,10,3,4,15,1,31,2,5,22,32,17,16/E:(1,2,3,4)(8,9)(13,14)(15,16)/CRV:6.3,8.3,9.3,10.3,11.3,12.4,17.1/rA:40nC3NC3C3NHHHHCHHC3HC3OO1CHHHNCCHHHHHHB4NCCHHHHHH/rB:s1;s2;s3;s1s4;s2;s3;s4;s5;;s10;s10;s10;s13;s13;s15;s15;s16;s18;s18;s18;;s22;s22;s23;s23;s23;s24;s24;s24;s1s10s22;s31;s32;s32;s33;s33;s33;s34;s34;s34;/rC:1.7138,.3188,-.1727;2.9587,.1663,-.634;3.4299,1.3232,-1.2095;2.4216,2.2314,-1.089;1.3844,1.5906,-.4483;3.3508,-.7768,-.5687;4.4199,1.4116,-1.6449;2.3618,3.2695,-1.4009;.4483,1.9881,-.2493;.1835,-.5785,1.9415;-.6031,-1.3244,2.1318;.9294,-.66,2.743;-.3381,.7848,1.8779;.3124,1.6134,2.1742;-1.3969,1.1868,.9731;-2.4712,.4006,.967;-1.3005,2.1659,.2352;-3.4138,.6339,-.0621;-2.9363,.5272,-1.0477;-4.1968,-.1229,.0612;-3.8447,1.6427,.0146;1.9857,-2.0736,.5584;1.6246,-3.4326,.2327;2.8302,-2.0334,1.7301;2.5254,-4.0707,.1714;.9499,-3.9059,.9804;1.1228,-3.4835,-.7426;2.3438,-2.4364,2.6457;3.7524,-2.6258,1.5782;3.1389,-1.0002,1.961;.8741,-.9862,.4314;-.2311,-1.2613,-.5868;-1.3044,-2.1856,-.3189;.0622,-1.2328,-1.9968;-2.2144,-1.9021,-.8824;-1.0748,-3.234,-.6097;-1.5795,-2.1934,.7425;.4801,-2.1878,-2.3912;-.8534,-1.0312,-2.5854;.7832,-.4423,-2.2526; Gaussian 16 24-Sep-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 114 C1[X(C11H22BN4O2)] UwB97XD def2TZVPP SP #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprintgfinput 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 230.9543 AuxInfo=1/0/N:23,24,33,34,18,13,10,3,4,15,1,31,2,5,22,32,17,16/E:(1,2,3,4)(8,9)(13,14)(15,16)/CRV:6.3,8.3,9.3,10.3,11.3,12.4,17.1/rA:40nC3NC3C3NHHHHCHHC3HC3OO1CHHHNCCHHHHHHB4NCCHHHHHH/rB:s1;s2;s3;s1s4;s2;s3;s4;s5;;s10;s10;s10;s13;s13;s15;s15;s16;s18;s18;s18;;s22;s22;s23;s23;s23;s24;s24;s24;s1s10s22;s31;s32;s32;s33;s33;s33;s34;s34;s34;/rC:1.7138,.3188,-.1727;2.9587,.1663,-.634;3.4299,1.3232,-1.2095;2.4216,2.2314,-1.089;1.3844,1.5906,-.4483;3.3508,-.7768,-.5687;4.4199,1.4116,-1.6449;2.3618,3.2695,-1.4009;.4483,1.9881,-.2493;.1835,-.5785,1.9415;-.6031,-1.3244,2.1318;.9294,-.66,2.743;-.3381,.7848,1.8779;.3124,1.6134,2.1742;-1.3969,1.1868,.9731;-2.4712,.4006,.967;-1.3005,2.1659,.2352;-3.4138,.6339,-.0621;-2.9363,.5272,-1.0477;-4.1968,-.1229,.0612;-3.8447,1.6427,.0146;1.9857,-2.0736,.5584;1.6246,-3.4326,.2327;2.8302,-2.0334,1.7301;2.5254,-4.0707,.1714;.9499,-3.9059,.9804;1.1228,-3.4835,-.7426;2.3438,-2.4364,2.6457;3.7524,-2.6258,1.5782;3.1389,-1.0002,1.961;.8741,-.9861,.4314;-.2311,-1.2613,-.5868;-1.3044,-2.1856,-.3189;.0622,-1.2328,-1.9968;-2.2144,-1.9021,-.8824;-1.0748,-3.234,-.6097;-1.5795,-2.1934,.7425;.4801,-2.1878,-2.3912;-.8534,-1.0312,-2.5854;.7832,-.4423,-2.2526; chk=85_COOME_p.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 12 14 12 12 14 1 1 1 1 12 1 1 12 1 12 16 16 12 1 1 1 14 12 12 1 1 1 1 1 1 11 14 12 12 1 1 1 1 1 1 12.0000000 14.0030740 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 14.0030740 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 11.0093053 14.0030740 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 2 0 0 2 1 1 1 1 0 1 1 0 1 0 0 0 0 1 1 1 2 0 0 1 1 1 1 1 1 3 2 0 0 1 1 1 1 1 1 3.6000000 4.5500000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 3.6000000 5.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 4.5500000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 2.7500000 4.5500000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l101.exe) Structure from the checkpoint file: "85_COOME_p.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 978 A 866 A 866 1292 978 69 68 1488.5537511836 40 40 40 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 -0.0394588320 0.000000 1.336366 0.000000 2.242468 1.375333 0.000000 2.235771 2.181825 1.362436 0.000000 1.342340 2.131119 2.198906 1.377316 0.000000 2.009236 1.023424 2.196938 3.191166 3.079918 0.000000 3.268743 2.169760 1.085145 2.230372 3.267802 2.662726 0.000000 3.261144 3.251855 2.228437 1.085586 2.163710 4.247745 2.783420 0.000000 2.096070 3.125494 3.202163 2.158256 1.036203 4.021274 4.248949 2.574830 0.000000 2.759861 3.858683 4.907545 4.699879 3.443591 4.046238 5.896595 5.542947 3.384830 0.000000 3.657728 4.749558 5.868470 5.671541 4.370833 4.819358 6.854197 6.509602 4.212762 1.100613 0.000000 3.174035 4.025485 5.080066 5.027031 3.931449 4.104138 5.977330 5.887675 4.024561 1.097841 1.778642 0.000000 2.938066 4.190567 4.900974 4.302471 3.004561 4.693848 5.953298 4.920787 2.567340 1.461063 2.140824 2.107662 0.000000 3.024567 4.121062 4.610051 3.934391 2.833247 4.740113 5.612336 4.441230 2.456066 2.208033 3.077441 2.423334 1.094389 0.000000 3.426739 4.753457 5.299078 4.463658 3.149409 5.364095 6.382771 4.909308 2.353941 2.559726 2.877303 3.457599 1.449625 2.132268 0.000000 4.338178 5.665865 6.357008 5.614158 4.276073 6.135182 7.438548 6.098851 3.538828 2.992686 2.796789 3.980353 2.351077 3.267590 1.331318 0.000000 3.558585 4.784780 5.017322 3.951108 2.829540 5.562341 6.068468 4.160146 1.823342 3.556077 4.033041 4.387123 2.352046 2.581954 1.229782 2.241129 0.000000 5.138461 6.415198 6.973395 6.136651 4.907854 6.928702 8.029791 6.488181 4.096955 4.292519 4.067961 5.329765 3.639562 4.454832 2.333508 1.414917 2.627104 0.000000 4.736232 5.920481 6.417790 5.622503 4.489759 6.438726 7.433191 5.976148 3.771873 4.459959 4.356734 5.542731 3.921174 4.702593 2.624506 2.071495 2.647032 1.100334 0.000000 5.931699 7.195032 7.865926 7.118219 5.860491 7.602049 8.917044 7.527388 5.111755 4.788640 4.318090 5.810237 4.360504 5.273804 3.222796 2.017963 3.695639 1.095919 1.800326 0.000000 5.717014 6.991890 7.383787 6.389887 5.249763 7.613755 8.432742 6.570432 4.314975 4.987350 4.877905 5.961415 4.062523 4.684700 2.667987 2.082399 2.606829 1.099623 1.788258 1.800954 0.000000 2.516423 2.717680 4.092586 4.630081 3.847306 2.194468 4.788178 5.703494 4.417380 2.719593 3.120755 2.808294 3.913000 4.359511 4.716423 5.113989 5.373725 6.072146 5.793958 6.502046 6.935456 0.000000 3.774309 3.934823 5.287335 5.870531 5.074831 3.267303 5.899569 6.937604 5.567698 3.625276 3.607527 3.804262 4.934072 5.563630 5.569263 5.657567 6.316556 6.481445 6.174216 6.698709 7.464536 1.443358 0.000000 3.224946 3.231744 4.501921 5.128695 4.468728 2.671080 5.077977 6.176095 5.075790 3.027594 3.528741 2.554474 4.242911 4.453786 5.367655 5.883196 6.077130 7.022460 6.893870 7.470947 7.810980 1.444883 2.377730 0.000000 4.477228 4.334632 5.640857 6.427837 5.808355 3.475543 6.078180 7.508580 6.418744 4.562136 4.601445 4.559967 5.889610 6.420158 6.608253 6.752153 7.316879 7.580412 7.242741 7.796539 8.558386 2.104629 1.105622 2.583237 0.000000 4.445437 4.819207 6.187857 6.641975 5.695790 4.237440 6.870916 7.691008 6.041760 3.547212 3.225223 3.693686 4.946412 5.682874 5.607460 5.499997 6.518159 6.382710 6.234433 6.453299 7.396487 2.146719 1.112869 2.757558 1.778719 0.000000 3.889950 4.086984 5.352080 5.870885 5.089355 3.510094 5.970519 6.897229 5.534982 4.065159 3.987831 4.489860 5.217183 5.928174 5.577095 5.561040 6.224421 6.164142 5.714422 6.343324 7.178207 2.103577 1.097978 3.336536 1.774180 1.782449 0.000000 3.991486 4.231863 5.493309 5.978567 5.168216 3.755124 6.125907 6.995256 5.616930 2.935043 3.191439 2.272829 4.261257 4.555241 5.469803 5.835355 6.346080 7.064700 7.092520 7.403557 7.865107 2.148667 2.707891 1.112363 2.970892 2.622207 3.750768 0.000000 3.986552 3.649593 4.844517 5.698950 5.243327 2.861699 5.209072 6.750119 5.961906 4.130398 4.579401 3.631885 5.334244 5.491827 6.435667 6.947380 7.091930 8.041847 7.846983 8.470912 8.853302 2.113294 2.643644 1.106542 2.360575 3.138506 3.610632 1.777536 0.000000 2.885087 2.850833 3.941407 4.501215 3.949127 2.548390 4.523321 5.489757 4.588508 2.985363 3.759931 2.368359 3.909312 3.855617 5.131557 5.867194 5.719329 7.049957 6.949328 7.628388 7.716501 2.109361 3.346170 1.102778 3.606552 3.767857 4.188214 1.778663 1.779195 0.000000 1.665212 2.609326 3.815410 3.880614 2.770184 2.679165 4.757390 4.866353 3.080679 1.709833 2.277738 2.335112 2.588040 3.179754 3.189492 3.660775 3.834413 4.610300 4.358583 5.157237 5.417749 1.560238 2.566661 2.570923 3.508408 2.971915 2.770705 3.027615 3.505420 2.732964 0.000000 2.539795 3.494960 4.524341 4.414478 3.280541 3.614535 5.467657 5.283335 3.336700 2.651519 2.744704 3.577111 3.205054 4.022761 3.128175 3.192836 3.683009 3.741248 3.275546 4.176492 4.674711 2.624049 2.971484 3.916106 4.008269 3.293196 2.606802 4.296565 4.734687 4.232775 1.527729 0.000000 3.924656 4.879019 5.959725 5.829769 4.637449 4.870143 6.889558 6.661087 4.527279 3.147387 2.690605 4.085617 3.818684 4.823084 3.612573 3.114948 4.386596 3.530589 3.248603 3.572842 4.606503 3.406926 3.230848 4.617005 4.296704 3.119224 2.784836 4.707599 5.418859 5.132852 2.597627 1.441618 0.000000 2.909070 3.493505 4.300503 4.288546 3.481053 3.614208 5.109428 5.090578 3.684691 3.994195 4.182937 4.852428 4.386830 5.055841 4.099252 4.227330 4.288324 4.394373 3.604088 4.858673 5.251484 3.307007 3.500124 4.710965 4.338520 4.098504 2.786315 5.311132 5.323433 5.018465 2.572261 1.440489 2.364552 0.000000 4.567988 5.576795 6.509012 6.214568 5.033729 5.686470 7.454912 6.925015 4.756497 3.934011 3.466326 4.956765 4.284713 5.299682 3.694924 2.964530 4.316576 2.922842 2.539718 2.825982 4.003527 4.443652 4.280580 5.682458 5.317779 4.183030 3.695492 5.788812 6.494652 6.128299 3.479074 2.105122 1.107215 2.621593 0.000000 4.537551 5.275547 6.435791 6.505760 5.417565 5.062148 7.269425 7.398071 5.451544 3.891466 3.374155 4.677879 4.783394 5.759497 4.706613 4.200674 5.470204 4.553180 4.219424 4.458261 5.643044 3.475271 2.834729 4.707981 3.777775 2.660674 2.215652 4.787571 5.334637 5.417884 3.151963 2.145686 1.111948 2.687314 1.773934 0.000000 4.242009 5.296995 6.424226 6.240390 4.951910 5.294708 7.395181 7.069080 4.751905 2.674664 1.907538 3.556374 3.420480 4.485672 3.393022 2.752159 4.397608 3.464997 3.528127 3.406168 4.514091 3.571955 3.472985 4.521772 4.549763 3.063798 3.342440 4.367334 5.414262 5.017144 2.752193 2.110524 1.096473 3.334982 1.768705 1.779297 0.000000 3.567449 3.843561 4.735465 4.999450 4.343827 3.681490 5.388375 5.856927 4.693235 4.631415 4.730367 5.375459 5.265963 5.943099 5.121450 5.165950 5.387260 5.343143 4.565956 5.670234 6.258126 3.313606 3.121512 4.746779 3.780964 3.813171 2.193083 5.376409 5.162906 5.236530 3.092929 2.149404 2.734776 1.114525 3.101315 2.585697 3.749926 0.000000 3.772759 4.446780 5.077668 4.858922 4.055667 4.669780 5.887217 5.498756 4.033315 4.666132 4.732896 5.630913 4.845995 5.568378 4.228160 4.157688 4.286791 3.961713 3.021855 4.359792 4.780932 4.362386 4.455131 5.761652 5.315525 4.922447 3.648912 6.289759 6.410231 6.050530 3.476671 2.105790 2.583217 1.106918 2.347513 2.967227 3.598994 1.775834 0.000000 2.402357 2.779064 3.348142 3.344698 2.783828 3.088705 4.126963 4.122473 3.167352 4.239000 4.682244 5.002482 4.452428 4.903550 4.220423 4.654845 4.163332 4.855061 4.028202 5.500589 5.559213 3.465445 3.978250 4.752288 4.698623 4.741015 3.412389 5.514172 5.315926 4.859581 2.740102 2.115280 3.337175 1.100078 3.604730 3.734285 4.197590 1.777041 1.770861 0.000000 C11H22BN4O2(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 0 230.9543 AuxInfo=1/0/N:23,24,33,34,18,13,10,3,4,15,1,31,2,5,22,32,17,16/E:(1,2,3,4)(8,9)(13,14)(15,16)/CRV:6.3,8.3,9.3,10.3,11.3,12.4,17.1/rA:40nC3NC3C3NHHHHCHHC3HC3OO1CHHHNCCHHHHHHB4NCCHHHHHH/rB:s1;s2;s3;s1s4;s2;s3;s4;s5;;s10;s10;s10;s13;s13;s15;s15;s16;s18;s18;s18;;s22;s22;s23;s23;s23;s24;s24;s24;s1s10s22;s31;s32;s32;s33;s33;s33;s34;s34;s34;/rC:-1.0445,.9592,.0038;-2.3058,1.277,.3105;-2.4358,2.6174,.5897;-1.1893,3.147,.4412;-.3579,2.1102,.0796;-2.9653,.4967,.3693;-3.3788,3.0807,.8612;-.8335,4.1658,.559;.6673,2.1672,-.06;.2834,-.7822,-1.6757;.8115,-1.7458,-1.6138;-.3895,-.8191,-2.5424;1.1963,.3522,-1.7969;.8589,1.247,-2.329;2.2577,.6204,-.8467;3.0313,-.4207,-.5468;2.4156,1.7227,-.3249;3.921,-.249,.5399;3.3625,.0055,1.4532;4.4373,-1.2071,.6686;4.6482,.5503,.336;-1.9908,-1.3529,-.298;-2.0945,-2.6521,.3221;-2.6921,-1.3292,-1.561;-3.1508,-2.9739,.3774;-1.5467,-3.4518,-.2245;-1.7067,-2.6301,1.3491;-2.2886,-2.0459,-2.3099;-3.7612,-1.5823,-1.429;-2.6469,-.3279,-2.0209;-.6092,-.6317,-.2252;.2776,-.9831,.9681;1.0277,-2.2128,1.0271;-.0957,-.5626,2.2944;1.9365,-2.0871,1.6471;.4632,-3.06,1.4743;1.3644,-2.5323,.0337;-.8173,-1.2458,2.799;.7911,-.5094,2.9547;-.5525,.4381,2.2968; 0.5333272 0.3889515 0.2991206 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 969 969 969 969 969 MxSgAt= 40 MxSgA2= 40. 1 open 1 1 1 -826.353230491709 -826.564606161039 -0.211375669330 -826.783460832000 -0.218854670962 -826.783775406349 -0.000314574349 -826.783829404742 -0.000053998393 -826.783840050547 -0.000010645804 -826.783840740296 -0.000000689750 -826.783840995937 -0.000000255641 -826.783841044853 -0.000000048916 -826.783841061806 -0.000000016953 -826.783841066652 -0.000000004846 -826.783841067515 -0.000000000863 -826.783841067678 -0.000000000163 -826.783841067645 0.000000000033 -826.783841068 14 0.7560 8.223716244072e+02 -4.904288819837e+03 1.766619062010e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1570929746 LenY= 1569972284 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. 0.7560 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 C N C C N H H H H C H H C H C O O C H H H N C C H H H H H H B N C C H H H H H H 13 14 13 13 14 1 1 1 1 13 1 1 13 1 13 17 17 13 1 1 1 14 13 13 1 1 1 1 1 1 11 14 13 13 1 1 1 1 1 1 -0.00458 0.00030 -0.00027 0.00087 -0.00082 0.00003 -0.00001 -0.00000 0.00064 -0.01279 0.01292 0.00406 0.05642 -0.00895 -0.03085 0.00816 0.01875 0.00068 0.00089 0.00007 0.00092 0.00525 -0.00055 -0.00042 0.00065 0.00047 0.00000 0.00054 0.00020 0.00000 0.04253 -0.00429 -0.00001 0.00256 -0.00006 -0.00008 -0.00006 -0.00004 0.00001 -0.00002 -5.14384 0.09634 -0.30895 0.97394 -0.26604 0.12600 -0.03247 -0.00231 2.86244 -14.37793 57.74761 18.14191 63.42979 -40.00240 -34.68521 -4.94743 -11.36497 0.76767 3.95621 0.29773 4.10692 1.69630 -0.61403 -0.47501 2.91130 2.09478 0.00562 2.40426 0.91613 0.00837 61.00241 -1.38748 -0.01675 2.87525 -0.25082 -0.33612 -0.24669 -0.19330 0.04106 -0.10355 -1.83545 0.03438 -0.11024 0.34753 -0.09493 0.04496 -0.01159 -0.00082 1.02139 -5.13040 20.60578 6.47348 22.63333 -14.27385 -12.37655 -1.76537 -4.05530 0.27392 1.41167 0.10624 1.46545 0.60528 -0.21910 -0.16950 1.03882 0.74747 0.00201 0.85790 0.32690 0.00299 21.76718 -0.49509 -0.00598 1.02596 -0.08950 -0.11994 -0.08802 -0.06897 0.01465 -0.03695 -1.71580 0.03214 -0.10305 0.32487 -0.08874 0.04203 -0.01083 -0.00077 0.95481 -4.79596 19.26253 6.05149 21.15790 -13.34337 -11.56974 -1.65029 -3.79095 0.25607 1.31965 0.09931 1.36992 0.56582 -0.20482 -0.15845 0.97111 0.69874 0.00188 0.80198 0.30559 0.00279 20.34821 -0.46281 -0.00559 0.95908 -0.08366 -0.11212 -0.08229 -0.06448 0.01370 -0.03454 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 0.001354 -0.000258 0.001317 -0.000348 -0.000085 0.001847 0.000495 -0.000451 -0.001281 -0.007763 -0.007586 0.006711 -0.019842 -0.027957 0.047744 -0.004896 0.337756 -0.000163 -0.000579 0.000954 0.003146 0.046362 -0.000336 0.003080 0.000516 -0.000486 -0.000438 0.001706 0.001998 0.004068 -0.005830 -0.004355 -0.001977 -0.002208 -0.001364 -0.001224 -0.002519 -0.000709 -0.001107 -0.001000 -0.004041 -0.002324 0.000168 0.000297 0.003090 -0.000749 -0.000079 0.001146 0.002486 -0.032575 0.014534 -0.004329 -0.275341 0.017473 -0.019916 -0.059647 -0.174588 -0.002824 -0.001899 -0.000883 -0.001847 -0.032990 0.001613 -0.002192 0.000233 0.001870 0.000092 -0.000594 -0.000971 -0.002358 -0.034075 -0.002506 0.000866 -0.002492 -0.000017 0.000714 0.002929 -0.000919 -0.001275 -0.001554 0.002687 0.002582 -0.001485 0.000051 -0.003005 -0.001098 -0.000417 -0.000695 -0.001204 0.040338 -0.006947 -0.002382 0.295182 0.010484 -0.027828 0.064543 -0.163168 0.002987 0.002477 -0.000072 -0.001300 -0.013372 -0.001278 -0.000888 -0.000750 -0.001385 0.000345 -0.001112 -0.001027 -0.001710 0.039905 0.006861 0.001111 0.004700 0.001381 0.000511 -0.000410 0.001628 0.002382 0.002554 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 -0.002039 -0.001062 -0.001237 -0.002855 -0.004590 -0.000587 -0.000730 -0.001164 -0.004443 -0.010026 -0.000219 0.005603 -0.268899 -0.037012 0.023432 0.024812 0.214167 -0.001701 -0.000895 -0.001816 0.000067 -0.007789 0.002209 0.002006 0.001322 0.001581 0.001071 0.002436 0.001024 0.000382 0.002124 -0.001126 -0.000443 0.000402 -0.000421 0.000213 -0.000993 0.000471 0.000197 0.000042 -0.006438 -0.000574 -0.001354 0.000043 -0.005069 -0.001859 -0.000604 -0.000575 -0.002411 -0.060470 0.002176 0.008466 -0.559732 -0.003864 -0.009292 -0.078581 -0.259740 0.004217 0.003076 0.002252 0.003185 -0.042182 -0.001439 0.001157 -0.000686 -0.000622 -0.001055 0.001174 0.000472 0.001472 -0.048220 -0.001270 0.000245 -0.001491 0.000792 -0.000153 0.000802 -0.000930 -0.000135 -0.001676 -0.001683 0.002790 0.001101 0.000054 0.005765 0.000257 0.000430 0.001151 0.010611 0.030368 -0.004556 0.004027 0.352020 -0.036332 -0.003677 -0.046654 -0.081462 -0.002624 -0.001064 -0.001257 0.000230 0.003784 -0.001894 0.000650 -0.000703 -0.000918 -0.001750 0.001045 0.000054 -0.000345 -0.002194 -0.001930 -0.003329 -0.000521 -0.002367 -0.002067 -0.004130 -0.000867 -0.000707 0.000438 0.5485 0.6792 0.4877 -0.4988 0.7339 -0.4611 -0.6711 0.0096 0.7413 -0.0069 -0.0016 0.0085 -0.925 -0.215 1.14 -0.33 -0.077 0.407 -0.309 -0.072 0.38 1 C 13 0.2121 0.9011 -0.3781 0.9521 -0.1033 0.2879 -0.2204 0.4211 0.8798 -0.0037 -3.0E-4 0.0041 -0.144 -0.012 0.157 -0.052 -0.004 0.056 -0.048 -0.004 0.052 2 N 14 0.2497 -0.2972 0.9216 0.588 0.8027 0.0996 0.7694 -0.517 -0.3752 -0.0022 -6.0E-4 0.0028 -0.296 -0.081 0.377 -0.106 -0.029 0.135 -0.099 -0.027 0.126 3 C 13 0.7455 0.6661 -0.0231 0.0199 0.0123 0.9997 -0.6662 0.7457 0.0041 -0.0029 1.0E-4 0.0028 -0.389 0.007 0.382 -0.139 0.003 0.136 -0.13 0.002 0.127 4 C 13 0.4138 -0.2928 0.862 0.7416 0.6576 -0.1326 -0.5281 0.6941 0.4892 -0.0074 -0.0032 0.0106 -0.285 -0.125 0.411 -0.102 -0.045 0.147 -0.095 -0.042 0.137 5 N 14 0.4379 0.021 0.8988 0.148 0.9844 -0.0951 0.8868 -0.1747 -0.4279 -0.002 -9.0E-4 0.0029 -1.066 -0.46 1.526 -0.38 -0.164 0.544 -0.356 -0.153 0.509 6 H 1 0.2739 -0.2951 0.9154 0.5925 0.8015 0.0811 0.7576 -0.5202 -0.3943 -7.0E-4 -6.0E-4 0.0013 -0.393 -0.307 0.699 -0.14 -0.109 0.25 -0.131 -0.102 0.233 7 H 1 0.063 -0.4071 0.9112 0.9027 0.4125 0.1219 -0.4256 0.8149 0.3935 -0.0012 -0.0011 0.0023 -0.666 -0.566 1.232 -0.238 -0.202 0.44 -0.222 -0.189 0.411 8 H 1 -0.1282 -0.6605 0.7398 0.9366 0.1646 0.3093 -0.326 0.7325 0.5976 -0.0103 -0.0029 0.0131 -5.475 -1.525 7.0 -1.954 -0.544 2.498 -1.826 -0.509 2.335 9 H 1 0.6383 -0.513 0.5739 0.5571 0.8224 0.1155 -0.5312 0.246 0.8108 -0.0541 -0.0351 0.0892 -7.256 -4.71 11.966 -2.589 -1.681 4.27 -2.42 -1.571 3.991 10 C 13 -0.6838 0.1282 0.7184 0.7292 0.1582 0.6658 -0.0283 0.979 -0.2017 -0.0098 -0.0056 0.0155 -5.246 -3.013 8.259 -1.872 -1.075 2.947 -1.75 -1.005 2.755 11 H 1 -0.2938 -0.485 0.8237 -0.5226 0.803 0.2865 0.8003 0.3463 0.4894 -0.0078 -0.0065 0.0143 -4.148 -3.489 7.636 -1.48 -1.245 2.725 -1.384 -1.164 2.547 12 H 1 0.7008 0.6833 0.2048 -0.4359 0.6375 -0.6352 -0.5646 0.3559 0.7447 -0.4456 -0.4422 0.8878 -59.797 -59.343 119.139 -21.337 -21.175 42.512 -19.946 -19.795 39.741 13 C 13 0.7617 0.55 0.3426 -0.5716 0.3213 0.755 -0.3051 0.7709 -0.5591 -0.0564 -0.0021 0.0585 -30.103 -1.095 31.198 -10.742 -0.391 11.132 -10.041 -0.365 10.407 14 H 1 0.0043 0.3563 0.9343 -0.3196 0.8858 -0.3364 0.9475 0.2972 -0.1177 -0.0293 -0.027 0.0562 -3.928 -3.62 7.548 -1.402 -1.292 2.693 -1.31 -1.207 2.518 15 C 13 0.0503 0.9386 0.3414 0.8525 -0.2185 0.4749 -0.5204 -0.2672 0.8111 -0.0753 -0.055 0.1303 5.448 3.982 -9.43 1.944 1.421 -3.365 1.817 1.328 -3.146 16 O 17 0.4564 -0.2867 0.8423 -0.157 0.9059 0.3934 0.8758 0.3118 -0.3684 -0.2762 -0.2471 0.5233 19.984 17.879 -37.863 7.131 6.38 -13.51 6.666 5.964 -12.63 17 O 17 0.071 0.945 0.3194 0.8384 0.1169 -0.5323 0.5404 -0.3055 0.784 -0.0038 -0.0031 0.0069 -0.515 -0.413 0.928 -0.184 -0.147 0.331 -0.172 -0.138 0.31 18 C 13 0.807 0.4354 -0.3991 -0.279 0.8766 0.3921 0.5205 -0.2051 0.8288 -0.0026 -0.0021 0.0047 -1.378 -1.115 2.493 -0.492 -0.398 0.89 -0.46 -0.372 0.832 19 H 1 0.649 0.7008 -0.296 -0.2627 0.5716 0.7773 0.714 -0.4267 0.5551 -0.002 -0.0018 0.0038 -1.085 -0.938 2.022 -0.387 -0.335 0.722 -0.362 -0.313 0.675 20 H 1 -0.4543 -0.1508 0.878 -0.0916 0.9883 0.1223 0.8861 0.0249 0.4627 -0.003 -0.0018 0.0048 -1.594 -0.973 2.567 -0.569 -0.347 0.916 -0.532 -0.325 0.856 21 H 1 0.4653 0.143 0.8735 0.0085 0.9861 -0.166 0.8851 -0.0846 -0.4576 -0.0352 -0.0337 0.0689 -1.358 -1.299 2.658 -0.485 -0.464 0.948 -0.453 -0.433 0.887 22 N 14 0.4265 0.1847 0.8854 0.7474 -0.6233 -0.23 0.5094 0.7599 -0.4039 -0.0024 -0.0017 0.0041 -0.317 -0.233 0.55 -0.113 -0.083 0.196 -0.106 -0.078 0.184 23 C 13 -0.2906 0.9468 -0.1385 -0.2839 0.0529 0.9574 0.9137 0.3176 0.2534 -0.0029 -0.0012 0.0041 -0.39 -0.16 0.55 -0.139 -0.057 0.196 -0.13 -0.053 0.183 24 C 13 -0.0078 0.4681 0.8837 0.7169 -0.6134 0.3313 0.6971 0.6361 -0.3308 -0.0011 -9.0E-4 0.002 -0.595 -0.497 1.092 -0.212 -0.177 0.39 -0.199 -0.166 0.364 25 H 1 0.3804 0.0684 0.9223 0.8122 -0.5017 -0.2978 0.4423 0.8624 -0.2464 -0.0017 -0.0012 0.0029 -0.912 -0.658 1.57 -0.325 -0.235 0.56 -0.304 -0.22 0.524 26 H 1 -0.1402 0.7644 0.6293 0.8906 -0.1803 0.4175 -0.4326 -0.619 0.6555 -0.0015 -0.0011 0.0027 -0.824 -0.613 1.437 -0.294 -0.219 0.513 -0.275 -0.204 0.479 27 H 1 -0.4159 0.8402 -0.3479 -0.4373 0.1507 0.8866 0.7974 0.5209 0.3048 -0.0022 -0.0015 0.0037 -1.191 -0.808 1.999 -0.425 -0.288 0.713 -0.397 -0.269 0.667 28 H 1 -0.3211 0.879 0.3525 -0.0166 -0.3774 0.9259 0.9469 0.2915 0.1357 -0.0013 -0.0011 0.0024 -0.706 -0.564 1.27 -0.252 -0.201 0.453 -0.235 -0.188 0.424 29 H 1 -0.1668 0.8177 0.551 -0.1648 -0.5741 0.802 0.9721 0.043 0.2305 -0.0027 -0.0018 0.0044 -1.424 -0.942 2.365 -0.508 -0.336 0.844 -0.475 -0.314 0.789 30 H 1 0.8205 -0.2572 0.5105 0.2027 0.9659 0.1609 -0.5345 -0.0286 0.8447 -0.0365 -0.034 0.0705 -6.249 -5.82 12.069 -2.23 -2.077 4.307 -2.084 -1.941 4.026 31 B 11 0.8632 0.4764 0.1669 -0.4969 0.8602 0.1147 -0.0889 -0.1819 0.9793 -0.0052 -0.0021 0.0073 -0.201 -0.081 0.283 -0.072 -0.029 0.101 -0.067 -0.027 0.094 32 N 14 0.3585 0.6898 0.629 0.9304 -0.2089 -0.3011 0.0763 -0.6932 0.7167 -0.0024 -0.002 0.0044 -0.322 -0.263 0.585 -0.115 -0.094 0.209 -0.107 -0.088 0.195 33 C 13 -0.6898 0.7187 -0.087 0.6944 0.6909 0.201 -0.2046 -0.0783 0.9757 -0.0028 -0.0022 0.0051 -0.378 -0.301 0.678 -0.135 -0.107 0.242 -0.126 -0.1 0.226 34 C 13 -0.3909 0.6937 0.605 0.9014 0.4214 0.0992 0.1862 -0.5841 0.79 -0.0018 -0.0015 0.0033 -0.984 -0.786 1.77 -0.351 -0.281 0.632 -0.328 -0.262 0.591 35 H 1 -0.1576 0.6881 0.7083 0.9853 0.0615 0.1594 0.0661 0.723 -0.6876 -0.0015 -0.0012 0.0027 -0.78 -0.659 1.44 -0.278 -0.235 0.514 -0.26 -0.22 0.48 36 H 1 -0.2081 0.5221 0.8271 0.9667 0.2388 0.0925 -0.1493 0.8188 -0.5543 -0.0032 -0.0027 0.0059 -1.717 -1.434 3.151 -0.613 -0.512 1.124 -0.573 -0.478 1.051 37 H 1 -0.5458 0.8347 0.0737 0.7707 0.4656 0.435 -0.3287 -0.2942 0.8974 -0.0013 -9.0E-4 0.0023 -0.696 -0.506 1.202 -0.248 -0.181 0.429 -0.232 -0.169 0.401 38 H 1 -0.415 0.8974 0.1497 0.9086 0.4004 0.1186 -0.0465 -0.1853 0.9816 -0.0015 -0.001 0.0025 -0.792 -0.554 1.345 -0.283 -0.198 0.48 -0.264 -0.185 0.449 39 H 1 PT22982.700S 2024-09-24T17:39:52.000 -19.28725 -19.22832 -14.50784 -14.50346 -14.38558 -14.38034 -10.40202 -10.35268 -10.34694 -10.34583 -10.32923 -10.29265 -10.28863 -10.28388 -10.28042 -10.27739 -10.24890 -6.82456 -1.20642 -1.16344 -1.11155 -1.02355 -0.98208 -0.96088 -0.88815 -0.87758 -0.81081 -0.78118 -0.77646 -0.75961 -0.73937 -0.72878 -0.70835 -0.68231 -0.66824 -0.64843 -0.59771 -0.58653 -0.58060 -0.57270 -0.57077 -0.55962 -0.55401 -0.54371 -0.53729 -0.52822 -0.52043 -0.51045 -0.50210 -0.49551 -0.49403 -0.47886 -0.46696 -0.45309 -0.44210 -0.43677 -0.43308 -0.42592 -0.41956 -0.41515 -0.41408 -0.39784 -0.39410 -0.38635 -0.36525 -0.34143 -0.29074 -0.26698 -0.24468 0.06877 0.07748 0.10140 0.10464 0.12161 0.12864 0.13119 0.14219 0.14809 0.15071 0.16237 0.16766 0.17182 0.17912 0.18094 0.18406 0.18978 0.19318 0.19988 0.20483 0.20866 0.21319 0.22070 0.22928 0.23478 0.24071 0.24411 0.24582 0.25509 0.25782 0.26334 0.27066 0.27590 0.28341 0.29144 0.29763 0.30028 0.30272 0.30764 0.31359 0.32119 0.32408 0.33116 0.33650 0.33819 0.34671 0.35354 0.35532 0.36374 0.37459 0.38120 0.38710 0.38913 0.39200 0.39860 0.40272 0.41434 0.42223 0.42502 0.42976 0.44096 0.44266 0.44936 0.45583 0.45694 0.45995 0.46297 0.46738 0.47015 0.47799 0.48508 0.49187 0.49453 0.49624 0.49884 0.50981 0.51331 0.51621 0.52073 0.52120 0.52683 0.52941 0.53196 0.53507 0.53726 0.53919 0.54606 0.55311 0.55678 0.56032 0.56232 0.56814 0.57130 0.57283 0.57941 0.58483 0.58911 0.59053 0.59524 0.60055 0.60765 0.61884 0.62332 0.62820 0.63246 0.63337 0.64826 0.65094 0.65307 0.65487 0.66627 0.68039 0.68794 0.69140 0.69726 0.70293 0.70520 0.72282 0.72731 0.73640 0.73736 0.74828 0.75493 0.76164 0.77157 0.77759 0.78778 0.79239 0.80711 0.81439 0.82182 0.82533 0.83728 0.84592 0.85752 0.86101 0.87318 0.87562 0.89257 0.89539 0.90323 0.90390 0.91245 0.92555 0.92948 0.94165 0.94605 0.94933 0.95804 0.96428 0.96682 0.97655 0.98013 0.99001 0.99977 1.00056 1.01006 1.01710 1.02240 1.02616 1.02900 1.03109 1.04658 1.05240 1.05927 1.06253 1.07260 1.07423 1.07990 1.08849 1.09264 1.09893 1.11102 1.11660 1.12561 1.12793 1.13215 1.13467 1.13809 1.14749 1.15451 1.16003 1.16583 1.17500 1.17834 1.18833 1.19365 1.19734 1.20324 1.20715 1.21795 1.22510 1.23381 1.24502 1.25203 1.25732 1.26068 1.26713 1.27457 1.27976 1.28305 1.28982 1.30552 1.31094 1.31843 1.32605 1.33019 1.34151 1.34547 1.34756 1.36152 1.36588 1.37215 1.37693 1.38464 1.38536 1.38977 1.40081 1.40614 1.41417 1.42046 1.42551 1.43152 1.43551 1.44415 1.44848 1.45636 1.46353 1.47028 1.48038 1.48617 1.48823 1.49618 1.50131 1.50795 1.51777 1.52649 1.52813 1.53191 1.53720 1.53845 1.54387 1.56563 1.56810 1.57305 1.57642 1.58392 1.59512 1.59581 1.60675 1.61347 1.61470 1.62304 1.62844 1.63631 1.64530 1.64834 1.65654 1.66449 1.67114 1.67773 1.69006 1.69583 1.71125 1.72177 1.72866 1.74547 1.75177 1.75346 1.76799 1.76955 1.78248 1.79181 1.80336 1.80763 1.80942 1.82084 1.82584 1.84456 1.84747 1.85577 1.86268 1.87373 1.87847 1.88875 1.89927 1.90478 1.90909 1.92859 1.93364 1.94365 1.94490 1.95368 1.96450 1.97749 1.98396 1.99312 1.99724 2.01507 2.02653 2.03265 2.05884 2.06018 2.08129 2.08258 2.09610 2.10671 2.12116 2.13005 2.14298 2.15382 2.16225 2.17267 2.18135 2.20093 2.21360 2.22952 2.23758 2.25194 2.25625 2.27759 2.28629 2.30699 2.32179 2.32766 2.33466 2.34171 2.35995 2.36701 2.38491 2.39453 2.40999 2.42441 2.43110 2.44744 2.45203 2.48230 2.49013 2.50021 2.50433 2.51121 2.53197 2.55666 2.57079 2.57514 2.57868 2.58892 2.61635 2.62165 2.63516 2.63997 2.64435 2.66223 2.66942 2.67370 2.68594 2.69632 2.70160 2.71282 2.71959 2.72911 2.75164 2.75647 2.76172 2.77013 2.78821 2.78931 2.79689 2.80512 2.81563 2.82426 2.82944 2.83158 2.84064 2.84212 2.86345 2.87593 2.87832 2.88785 2.89229 2.89793 2.90458 2.91079 2.91828 2.92594 2.93290 2.93948 2.94344 2.95649 2.97205 2.97706 2.98347 2.98991 2.99300 3.00388 3.01250 3.01796 3.02796 3.03291 3.03782 3.04358 3.05718 3.06386 3.06703 3.06955 3.07701 3.07816 3.08155 3.08944 3.10085 3.10166 3.10709 3.11006 3.12108 3.13031 3.13345 3.13976 3.14886 3.15245 3.16231 3.17197 3.17619 3.17948 3.18733 3.19702 3.20152 3.20391 3.20720 3.21382 3.22001 3.22910 3.23868 3.24821 3.25110 3.25323 3.26557 3.27003 3.27656 3.28100 3.28626 3.29173 3.30842 3.31377 3.31981 3.32514 3.33521 3.34063 3.35262 3.35510 3.36342 3.37453 3.37656 3.38897 3.39732 3.40473 3.40997 3.42867 3.43629 3.43813 3.44178 3.45072 3.45685 3.46134 3.46876 3.47536 3.48375 3.49310 3.49366 3.50220 3.51329 3.51716 3.52451 3.52776 3.53326 3.54600 3.55116 3.55726 3.56303 3.56556 3.57062 3.57962 3.58492 3.59074 3.60415 3.60797 3.61456 3.61594 3.62245 3.63228 3.63499 3.64440 3.65059 3.65588 3.66220 3.66497 3.67687 3.69234 3.69509 3.70175 3.70664 3.71153 3.72041 3.72152 3.72782 3.73147 3.74774 3.75538 3.75829 3.76821 3.77356 3.77469 3.78606 3.78658 3.79570 3.80155 3.80698 3.81826 3.82727 3.82939 3.85191 3.85286 3.85676 3.87008 3.88840 3.89034 3.89990 3.90585 3.91418 3.91626 3.92851 3.94035 3.94305 3.94529 3.96119 3.96281 3.96788 3.97485 3.98463 3.99228 4.00226 4.00949 4.01819 4.02816 4.03634 4.04060 4.05511 4.06143 4.07272 4.08289 4.08753 4.09555 4.10488 4.10671 4.11898 4.13036 4.13484 4.14612 4.15844 4.16708 4.16732 4.17507 4.17823 4.19616 4.20280 4.20764 4.21185 4.22804 4.23646 4.23909 4.25200 4.25292 4.26148 4.26211 4.27921 4.28651 4.29387 4.29804 4.30778 4.31466 4.32056 4.32346 4.32886 4.33421 4.34020 4.34605 4.35793 4.36694 4.36873 4.37319 4.37714 4.38561 4.39127 4.39394 4.39819 4.40414 4.41068 4.41216 4.41539 4.43190 4.43810 4.44135 4.44746 4.46209 4.46842 4.48250 4.49151 4.49866 4.51290 4.52180 4.52558 4.54851 4.55229 4.57725 4.58697 4.59795 4.61260 4.61803 4.64204 4.65062 4.65454 4.67092 4.68331 4.68965 4.69439 4.70437 4.71819 4.72453 4.74827 4.76695 4.77400 4.78029 4.79367 4.79936 4.81723 4.81776 4.83755 4.85402 4.86570 4.87154 4.87531 4.89729 4.90256 4.91464 4.93289 4.93632 4.95237 4.96913 4.97605 4.98139 5.00472 5.01231 5.02883 5.03683 5.04081 5.05020 5.06647 5.07554 5.08090 5.09038 5.10223 5.10964 5.11332 5.11570 5.12769 5.13432 5.14383 5.14747 5.16565 5.17163 5.17858 5.18505 5.19276 5.19703 5.20755 5.21792 5.22752 5.25265 5.27354 5.28347 5.29455 5.29713 5.30546 5.30805 5.31645 5.33058 5.33578 5.34489 5.34703 5.35362 5.35888 5.36473 5.38011 5.38179 5.39741 5.40252 5.40987 5.44253 5.44370 5.46098 5.46714 5.47332 5.48703 5.49256 5.49966 5.50575 5.51209 5.52347 5.53810 5.54615 5.54994 5.56009 5.56454 5.57030 5.57759 5.59784 5.60346 5.61450 5.62773 5.62910 5.64048 5.65041 5.66013 5.67824 5.68458 5.70017 5.70556 5.70850 5.71956 5.72985 5.73799 5.74205 5.75088 5.75764 5.75863 5.77471 5.78963 5.79242 5.81250 5.81661 5.82598 5.84787 5.86152 5.87611 5.88328 5.89502 5.93063 5.94129 5.96077 5.97871 5.98433 6.01198 6.05307 6.08711 6.11860 6.16810 6.19122 6.21073 6.24557 6.27376 6.28113 6.31431 6.35697 6.40424 6.51798 6.57069 6.67885 6.69354 6.80467 6.82607 6.90711 6.95709 6.98398 7.02836 7.05785 7.08692 7.24792 7.30198 7.48269 7.59072 15.70851 23.04507 23.16799 23.48347 23.57324 23.65526 23.65752 23.73900 23.75610 23.78253 23.81351 23.85478 33.01654 33.05111 33.12257 33.22936 44.17308 44.43052 -19.28649 -19.22547 -14.50782 -14.50349 -14.38510 -14.38043 -10.40229 -10.35269 -10.34695 -10.34580 -10.32923 -10.28864 -10.28384 -10.28378 -10.28044 -10.27739 -10.24860 -6.82334 -1.20379 -1.16338 -1.10623 -1.02349 -0.98135 -0.96045 -0.88615 -0.86232 -0.80727 -0.78095 -0.77604 -0.75907 -0.73859 -0.72113 -0.70404 -0.68202 -0.66789 -0.64483 -0.59548 -0.58498 -0.57841 -0.56853 -0.56703 -0.55756 -0.55183 -0.54240 -0.53662 -0.52709 -0.51908 -0.50866 -0.49836 -0.49483 -0.48958 -0.47539 -0.46094 -0.44953 -0.44078 -0.43465 -0.43134 -0.42574 -0.41911 -0.41316 -0.40903 -0.39434 -0.38197 -0.37700 -0.35918 -0.33923 -0.27537 -0.25698 -0.00742 0.06992 0.07771 0.10165 0.12067 0.12294 0.13203 0.13332 0.14221 0.14859 0.15075 0.16247 0.16873 0.17229 0.17970 0.18109 0.18425 0.18993 0.19473 0.20010 0.20558 0.21004 0.21386 0.22115 0.22943 0.23494 0.24102 0.24491 0.24608 0.25572 0.25833 0.26416 0.27101 0.27630 0.28385 0.29265 0.29951 0.30123 0.30511 0.30827 0.31485 0.32214 0.32513 0.33174 0.33724 0.33928 0.34980 0.35443 0.35741 0.36535 0.37577 0.38429 0.38866 0.39090 0.39434 0.39950 0.40352 0.41782 0.42271 0.42734 0.43082 0.44143 0.44363 0.45017 0.45670 0.45850 0.46122 0.46486 0.46869 0.47069 0.47906 0.48803 0.49246 0.49516 0.49758 0.49985 0.51057 0.51406 0.51685 0.52092 0.52238 0.52847 0.53039 0.53388 0.53543 0.53773 0.54101 0.54684 0.55373 0.55819 0.56144 0.56326 0.56883 0.57370 0.57386 0.58024 0.58543 0.59004 0.59175 0.59635 0.60195 0.60831 0.62008 0.62417 0.62937 0.63337 0.63480 0.64913 0.65142 0.65376 0.65607 0.66674 0.68111 0.69090 0.69203 0.69889 0.70352 0.70616 0.72376 0.72839 0.73674 0.73831 0.74971 0.75567 0.76207 0.77294 0.77803 0.78826 0.79306 0.80768 0.81549 0.82227 0.82653 0.83978 0.84641 0.85790 0.86181 0.87439 0.87652 0.89391 0.89660 0.90497 0.90663 0.91300 0.92613 0.92981 0.94354 0.94662 0.95060 0.95863 0.96535 0.96714 0.97743 0.98046 0.99086 1.00043 1.00152 1.01145 1.01945 1.02447 1.02677 1.02994 1.03210 1.04712 1.05420 1.06059 1.06341 1.07404 1.07560 1.08093 1.08933 1.09338 1.10065 1.11196 1.11711 1.12659 1.12891 1.13368 1.13666 1.13880 1.14834 1.15498 1.16151 1.16654 1.17569 1.17927 1.19031 1.19528 1.19975 1.20486 1.20836 1.21956 1.22660 1.23448 1.24636 1.25280 1.25887 1.26104 1.26900 1.27655 1.28052 1.28391 1.29108 1.30638 1.31196 1.31957 1.32675 1.33088 1.34396 1.34625 1.34859 1.36289 1.36654 1.37365 1.37862 1.38549 1.38606 1.39094 1.40223 1.40752 1.41574 1.42142 1.42760 1.43263 1.43695 1.44489 1.44960 1.45796 1.46615 1.47163 1.48152 1.48839 1.48939 1.49732 1.50271 1.50952 1.51840 1.52741 1.52919 1.53247 1.53842 1.53986 1.54508 1.56659 1.56915 1.57398 1.57830 1.58482 1.59635 1.59673 1.60774 1.61498 1.61654 1.62346 1.63099 1.63775 1.64611 1.64897 1.65720 1.66603 1.67139 1.68067 1.69170 1.69671 1.71202 1.72329 1.73076 1.74639 1.75414 1.75573 1.76950 1.77099 1.78335 1.79374 1.80508 1.80905 1.81254 1.82264 1.82894 1.84536 1.84891 1.85922 1.86832 1.87463 1.87985 1.89030 1.90206 1.90848 1.90978 1.92948 1.93485 1.94432 1.94618 1.95756 1.96577 1.97890 1.98586 1.99475 1.99855 2.01738 2.02760 2.03407 2.06079 2.06283 2.08402 2.08437 2.09904 2.10921 2.12323 2.13309 2.14680 2.15516 2.16418 2.17771 2.18484 2.20195 2.21541 2.23173 2.23882 2.25367 2.25725 2.28062 2.28795 2.30987 2.32319 2.32834 2.33626 2.34383 2.36115 2.36827 2.38799 2.39683 2.41205 2.42528 2.43352 2.44884 2.45378 2.48362 2.49302 2.50204 2.50709 2.51240 2.53422 2.55783 2.57319 2.57700 2.58173 2.59141 2.62089 2.62284 2.63696 2.64155 2.64856 2.66525 2.67012 2.67450 2.68874 2.69844 2.70251 2.71487 2.72064 2.73055 2.75358 2.75776 2.76298 2.77083 2.78936 2.79203 2.79863 2.80644 2.81687 2.82579 2.83088 2.83278 2.84265 2.84426 2.86552 2.87717 2.87937 2.88842 2.89309 2.89873 2.90639 2.91500 2.92162 2.92842 2.93371 2.94186 2.94484 2.95857 2.97316 2.97950 2.98715 2.99156 2.99496 3.00495 3.01498 3.01961 3.02936 3.03369 3.04000 3.04453 3.05805 3.06680 3.06923 3.07098 3.07807 3.08174 3.08552 3.09126 3.10236 3.10326 3.10823 3.11123 3.12272 3.13180 3.13553 3.14164 3.15014 3.15341 3.16353 3.17391 3.17835 3.18111 3.18829 3.19872 3.20334 3.20478 3.20837 3.21640 3.22284 3.23041 3.24003 3.24893 3.25297 3.25517 3.26652 3.27262 3.28072 3.28225 3.28800 3.29464 3.31111 3.31579 3.32184 3.32792 3.34028 3.34420 3.35451 3.35677 3.36671 3.37682 3.37831 3.39142 3.40165 3.40745 3.41246 3.43025 3.43779 3.43961 3.44426 3.45351 3.45870 3.46427 3.47104 3.47684 3.48430 3.49427 3.49886 3.50347 3.51491 3.51902 3.52629 3.53168 3.53539 3.54728 3.55290 3.55991 3.56411 3.56648 3.57171 3.58137 3.58662 3.59235 3.60542 3.60950 3.61704 3.61827 3.62354 3.63356 3.63610 3.64562 3.65259 3.65687 3.66575 3.66755 3.67984 3.69322 3.69615 3.70278 3.70951 3.71350 3.72100 3.72334 3.72934 3.73393 3.74841 3.75702 3.75956 3.76980 3.77428 3.77667 3.78704 3.78820 3.79727 3.80341 3.80926 3.81938 3.82913 3.83068 3.85317 3.85419 3.85749 3.87134 3.88950 3.89083 3.90055 3.90659 3.91568 3.91777 3.92948 3.94140 3.94456 3.94630 3.96210 3.96346 3.97001 3.97777 3.98564 3.99344 4.00398 4.01065 4.01978 4.03002 4.03714 4.04131 4.05767 4.06266 4.07336 4.08390 4.08962 4.09831 4.10571 4.10888 4.12031 4.13115 4.13565 4.14720 4.16017 4.16822 4.16968 4.17618 4.17930 4.19794 4.20349 4.21052 4.21301 4.22938 4.23728 4.24026 4.25269 4.25431 4.26282 4.26339 4.28222 4.28853 4.29485 4.29890 4.30804 4.31532 4.32162 4.32454 4.33014 4.33466 4.34113 4.34794 4.35890 4.36804 4.36941 4.37631 4.37788 4.38598 4.39181 4.39448 4.39973 4.40530 4.41127 4.41303 4.41587 4.43224 4.43884 4.44190 4.44845 4.46459 4.47063 4.48379 4.49236 4.49944 4.51409 4.52255 4.52719 4.54919 4.55334 4.57795 4.59011 4.60074 4.61340 4.61943 4.64290 4.65120 4.65575 4.67223 4.68440 4.69009 4.69730 4.70566 4.72014 4.72813 4.74921 4.76755 4.77490 4.78098 4.79400 4.79977 4.81752 4.81817 4.83873 4.85574 4.86712 4.87236 4.88151 4.89823 4.90477 4.91693 4.93419 4.93939 4.95378 4.97035 4.97908 4.98525 5.00791 5.01306 5.03077 5.03836 5.04212 5.05125 5.06797 5.07636 5.08189 5.09193 5.10296 5.11094 5.11438 5.11740 5.12803 5.13611 5.14409 5.14804 5.16592 5.17199 5.17920 5.18541 5.19338 5.19748 5.20813 5.21841 5.22826 5.25380 5.27443 5.28448 5.29599 5.29732 5.30607 5.30872 5.31894 5.33239 5.33678 5.34518 5.34937 5.35484 5.36109 5.36661 5.38095 5.38273 5.39795 5.40299 5.41053 5.44337 5.44447 5.46253 5.46870 5.47525 5.48764 5.49291 5.49992 5.50674 5.51291 5.52494 5.53963 5.54712 5.55204 5.56207 5.56551 5.57151 5.57815 5.59959 5.60479 5.61522 5.62966 5.62980 5.64131 5.65213 5.66060 5.67994 5.68526 5.70063 5.70622 5.70911 5.72021 5.73106 5.73898 5.74295 5.75131 5.75810 5.76021 5.77699 5.78981 5.79264 5.81260 5.81714 5.82626 5.84818 5.86172 5.87634 5.88402 5.89557 5.93133 5.94224 5.96109 5.98059 5.98518 6.01265 6.05357 6.08916 6.11895 6.16867 6.19327 6.21082 6.24601 6.27502 6.28238 6.31918 6.35745 6.40773 6.51863 6.57251 6.68408 6.70013 6.80737 6.82898 6.90996 6.96274 6.98594 7.03173 7.05897 7.08929 7.25167 7.30550 7.48422 7.59195 15.71078 23.04510 23.18251 23.48369 23.57340 23.65547 23.65767 23.73907 23.75614 23.78267 23.81358 23.85483 33.01680 33.05111 33.12256 33.22957 44.17561 44.43134 2-A. -2.5881 2.7742 1.0268 3.9305 -101.0855 -104.8283 -113.0099 -10.7160 1.5253 1.6140 5.2224 1.4796 -6.7020 -10.7160 1.5253 1.6140 8.5501 52.3289 -0.7438 -16.2167 9.3084 22.1739 6.2631 6.2790 7.9896 -7.5697 -2515.8693 -1825.4801 -994.3073 -110.4920 6.0739 -82.0450 44.0219 6.3953 -10.3603 -782.1591 -634.8514 -501.4996 12.5881 -23.2809 4.2624 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) GINC-BERON211 GRUFOR 2024-09-24T00:00:00.000 0 coments 0 2 Version=ES64L-G16RevC.02 State=2-A HF=-826.7838411 S2=0.756028 S2-1=0. S2A=0.750026 RMSD=6.077e-09 Dipole=1.2241773,0.6258473,-0.7077809 Quadrupole=8.0366852,-4.0031706,-4.0335147,5.2856314,-2.0987581,-2.4440165 PG=C01 [X(C11H22B1N4O2)] 0 1.7137698396 0.3188338222 -0.172705705 0 2.9586976041 0.1663029474 -0.6339673012 0 3.4299144906 1.323158274 -1.2094517258 0 2.4215720901 2.2314385885 -1.0890200058 0 1.3843622968 1.5906133002 -0.4482871064 0 3.3508047249 -0.7767697057 -0.5686854078 0 4.4199202197 1.4115803735 -1.6448939509 0 2.361778451 3.2695270029 -1.4009394045 0 0.4483342603 1.9880606274 -0.2492776969 0 0.1835409347 -0.5785163631 1.9415300502 0 -0.6031307684 -1.3243623354 2.1318231684 0 0.9293985415 -0.6599730104 2.7429760659 0 -0.338115316 0.7847626953 1.8778819318 0 0.3123924545 1.6134359508 2.1742398175 0 -1.3969151899 1.1868215535 0.9730593271 0 -2.4712327148 0.4005568815 0.9669713623 0 -1.3004551117 2.1658896394 0.235167349 0 -3.4138293476 0.6339174368 -0.0621282063 0 -2.9362732813 0.5272297762 -1.0476704349 0 -4.1968352897 -0.122877715 0.0611648803 0 -3.84469698 1.6426992188 0.0145726664 0 1.9857130814 -2.0736302667 0.5584199941 0 1.6246023672 -3.4325848611 0.2326521309 0 2.8302188925 -2.0334142756 1.7301196017 0 2.5253815287 -4.0707461831 0.171445899 0 0.9498653574 -3.9059352707 0.9804132261 0 1.122755282 -3.4834854449 -0.7425986522 0 2.3438219657 -2.43640293 2.6457449079 0 3.7523967609 -2.6258166317 1.5781893147 0 3.1389061004 -1.0002103872 1.9610314217 0 0.8741374017 -0.9861502297 0.4314172291 0 -0.2310680836 -1.2612540751 -0.5868138337 0 -1.3044225872 -2.1855772296 -0.3188607682 0 0.0622024293 -1.2327868124 -1.9968456387 0 -2.2143658146 -1.9021123264 -0.8823998144 0 -1.0747864315 -3.2339640128 -0.6096886371 0 -1.5794823464 -2.193433013 0.7425223664 0 0.4801015217 -2.1877919977 -2.3911702399 0 -0.8533800394 -1.0311990481 -2.5853516683 0 0.7832075853 -0.442281783 -2.2526281227