Gaussian 16 GINC-BERON211 GRUFOR coments ES64L-G16RevC.02 25-Sep-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 42 42 100 101 465 (5D, 7F) def2SVP 120 120 C1[X(C20H15BIN4O)] C1[X(C20H15BIN4O)] UwB97XD def2SVP FOpt #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 449.9556699999999 0 2 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,11,18,29,27,2;35,34,36,33,31,32,42/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(16,17)(18,19);(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.2,17.2,20.1;1.3,2.3,3.3,4.3,5.3,6.3/rA:42nC3O1BC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHC3C3C3C3C3C3HHHHHI/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s24;s27;s22s23;s29;;s31;s32;s33;s34;s31s35;s31;s33;s34;s35;s36;s32;/rC:.2599,1.9002,-1.6772;-.1913,3.0404,-1.8831;1.2947,-.8439,-1.0435;-.5123,.6986,-2.0302;1.6001,1.7047,-1.101;2.1518,.4159,-.8328;-.0593,-.6238,-1.7436;2.3633,2.8481,-.8035;3.6322,2.7035,-.2837;4.1172,1.3931,-.0839;3.4252,.306,-.3389;1.913,3.8242,-.9998;4.2557,3.5665,-.0373;5.1337,1.2481,.3087;-1.9803,-1.5071,-2.6998;-2.4969,-.2341,-3.0223;-1.7513,.8717,-2.6739;-.832,-1.7015,-2.0924;-2.0822,1.8935,-2.8745;-2.5573,-2.4056,-2.9592;-3.4633,-.1419,-3.5239;1.7661,-2.3049,-.6132;1.4228,-4.2416,.5199;2.6397,-3.7813,.8736;.9446,-5.1802,.7953;3.3886,-4.2541,1.5071;2.7344,-2.4333,.4798;3.631,-2.0027,.2849;.7174,-3.1978,-.1079;.0061,-3.3938,-.8061;-.7177,1.9081,1.9849;-.9721,.5702,1.6787;.026,-.3964,1.771;1.2966,-.0132,2.2047;1.5621,1.3128,2.5323;.5572,2.2729,2.4136;-1.4982,2.6619,1.8711;-.1386,-1.4329,1.4585;2.085,-.7699,2.19;2.5684,1.6091,2.8365;.7682,3.3223,2.6332;-2.9031,.0065,1.039; /NFS_R1/Userdata/grufor/SOFTWARE/g16/g16 Output=18_a_PhI.log chk=18_a_PhI.chk Mem=12000MB NProc=12 #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=43,7=101,11=2,24=110,25=1,30=1,71=1,74=-58/1,2,3 4//1 5/5=2,8=3,13=1,38=5/2,8 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=43,7=101,11=2,25=1,30=1,71=1,74=-58/1,2,3 4/5=5,16=3,69=1/1 5/5=2,8=3,13=1,38=5/2,8 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 coments 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 12 16 11 12 12 12 12 12 12 12 14 1 1 1 12 12 12 14 1 1 1 12 12 12 1 1 14 1 14 1 12 12 12 12 12 12 1 1 1 1 1 127 12.0000000 15.9949146 11.0093053 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 14.0030740 1.0078250 14.0030740 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 126.9004000 0 0 3 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 1 1 1 0 0 0 1 1 2 1 2 1 0 0 0 0 0 0 1 1 1 1 1 5 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 1 1 1 3 3 3 4 4 5 5 6 7 8 8 9 9 10 10 15 15 15 16 16 17 22 22 23 23 23 24 24 27 27 29 29 31 31 31 32 32 33 33 34 34 35 35 36 2 4 5 6 7 22 7 17 6 8 11 18 9 12 10 13 11 14 16 18 20 17 21 19 27 29 24 25 29 26 27 28 39 30 38 32 36 37 33 42 34 38 35 39 36 40 41 1.2434 1.4713 1.4719 1.5382 1.5402 1.5943 1.4269 1.4069 1.4273 1.4065 1.3703 1.3712 1.3789 1.0927 1.4115 1.0929 1.3136 1.0993 1.4112 1.3135 1.0989 1.3784 1.0927 1.0926 1.4659 1.4672 1.3483 1.0888 1.4075 1.0888 1.4075 1.0136 2.4725 1.0158 2.5102 1.3958 1.3936 1.091 1.3925 2.1109 1.3962 1.095 1.3914 1.0929 1.3949 1.0923 1.0927 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 4 6 6 7 1 1 7 1 1 6 3 3 5 3 3 4 5 5 9 8 8 10 9 9 11 6 16 16 18 15 15 17 4 4 16 7 3 3 27 24 24 25 23 23 26 22 22 22 24 24 28 22 22 22 23 23 30 32 32 36 31 31 33 32 32 34 33 33 35 34 34 36 31 31 35 29 27 1 1 1 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 15 15 15 16 16 16 17 17 17 18 22 22 22 23 23 23 24 24 24 27 27 27 27 27 27 29 29 29 29 29 29 31 31 31 32 32 32 33 33 33 34 34 34 35 35 35 36 36 36 38 39 4 5 5 7 22 22 7 17 17 6 8 8 5 11 11 4 18 18 9 12 12 10 13 13 11 14 14 10 18 20 20 17 21 21 16 19 19 15 27 29 29 25 29 29 26 27 27 24 28 39 28 39 39 23 30 38 30 38 38 36 37 37 33 42 42 34 38 38 35 39 39 36 40 40 35 41 41 33 34 121.2421 121.1352 117.6068 115.7867 123.2849 120.9073 122.8208 118.1354 119.0435 123.053 117.9607 118.9862 119.897 120.1 119.9539 120.192 119.9123 119.8957 119.5888 117.6822 122.729 117.8365 121.819 120.3429 124.0418 119.3888 116.5694 119.5492 124.0002 119.4356 116.5639 117.8986 120.3145 121.7843 119.5569 117.7587 122.6842 119.6005 118.4784 116.0592 99.3236 128.6323 108.4346 122.1361 128.694 108.3163 122.1629 104.3637 113.8078 106.4592 121.3459 115.6662 94.5625 104.2803 112.4038 91.7614 120.9629 114.4568 109.0133 119.0215 120.5953 120.3711 121.3437 119.2862 119.3653 118.8343 122.0335 119.0317 120.5564 117.5306 121.692 119.8981 119.9925 120.0465 120.3306 119.335 120.3189 142.4101 131.6543 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 5 5 2 2 4 4 7 7 22 22 6 6 22 22 6 6 7 7 1 1 17 17 1 1 7 7 1 1 8 8 1 1 6 6 3 5 3 4 5 5 12 12 8 8 13 13 9 14 18 18 20 20 16 20 15 15 21 21 3 3 3 29 29 29 3 3 3 27 27 27 25 25 29 29 24 24 24 25 25 25 23 23 23 26 26 26 22 24 28 22 23 30 36 36 37 37 32 32 37 37 31 31 42 42 32 32 38 38 32 34 33 33 39 39 33 35 34 34 40 40 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 7 7 8 8 8 8 9 9 9 9 10 10 15 15 15 15 15 15 16 16 16 16 22 22 22 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 27 27 27 29 29 29 31 31 31 31 31 31 31 31 32 32 32 32 33 33 33 33 33 33 34 34 34 34 34 34 35 35 35 35 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 7 22 22 22 22 7 7 7 7 17 17 17 17 6 6 6 6 8 8 8 8 11 11 18 18 9 9 9 9 10 10 10 10 11 11 16 16 16 16 18 18 17 17 17 17 27 27 27 27 27 27 29 29 29 29 29 29 24 24 24 24 29 29 29 29 29 29 27 27 27 27 27 27 39 39 39 38 38 38 32 32 32 32 36 36 36 36 33 33 33 33 34 34 34 34 38 38 35 35 35 35 39 39 36 36 36 36 7 17 7 17 6 8 6 8 5 11 5 11 4 18 4 18 27 29 27 29 3 18 3 18 16 19 16 19 3 11 3 11 9 12 9 12 10 10 15 15 10 13 10 13 11 14 11 14 6 6 17 21 17 21 7 7 4 19 4 19 24 28 39 24 28 39 23 30 38 23 30 38 26 27 26 27 22 30 38 22 30 38 22 28 39 22 28 39 34 34 34 33 33 33 33 42 33 42 35 41 35 41 34 38 34 38 35 39 35 39 29 29 36 40 36 40 27 27 31 41 31 41 -176.524 3.2746 4.9079 -175.2935 179.2226 -0.7098 -2.2078 177.8599 8.9314 -173.6161 -172.7302 4.7223 -6.4149 173.5999 175.204 -4.7812 26.0581 144.1211 -155.6857 -37.6227 -0.3819 179.6033 179.8212 -0.1936 179.7613 -0.3847 -0.4322 179.4217 -4.8391 177.7046 175.0926 -2.3637 -178.9067 1.06 1.1581 -178.8752 -175.7308 1.7202 -179.4014 0.6133 0.6008 -179.8593 -179.3641 0.1757 -1.3282 178.6832 179.1248 -0.8638 0.137 -179.8741 -0.2112 -179.6373 179.5497 0.1236 -0.4201 179.8127 0.6264 -179.22 -179.9564 0.1972 163.143 -62.4362 40.3323 36.5929 171.0137 -86.2178 -164.7022 62.5199 -48.9018 -36.519 -169.2969 79.2814 -0.1181 -169.724 169.6756 0.0698 23.8972 151.5845 -74.765 -165.5107 -37.8233 95.8271 -24.0418 -154.1244 92.5448 165.5335 35.4509 -77.8799 -3.2502 -118.6521 113.2265 1.3932 107.9577 -113.0576 -1.1367 179.6646 177.6016 -1.5971 0.0705 178.645 -178.6707 -0.0962 1.2629 -175.0547 -179.539 4.1434 -0.3275 -175.0164 176.1023 1.4134 121.5826 -54.7279 -0.7114 -177.8304 173.7528 -3.3662 45.0929 -129.5318 0.841 -177.7194 177.9584 -0.602 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 493 A 465 A 822 493 2717.8997473937 42 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Berny optimization. local minimum Step number 59 out of a maximum of 252 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00110 0.00123 0.00465 0.00628 0.00804 0.00902 0.01008 0.01283 0.01501 0.01530 0.01550 0.01709 0.01773 0.01814 0.01884 0.01944 0.02058 0.02105 0.02118 0.02132 0.02142 0.02155 0.02168 0.02200 0.02201 0.02205 0.02214 0.02231 0.02285 0.02312 0.02358 0.02433 0.02504 0.02517 0.02721 0.02933 0.03743 0.04134 0.04230 0.04948 0.06092 0.10327 0.11097 0.11604 0.13706 0.15222 0.15896 0.15963 0.15985 0.15993 0.16001 0.16008 0.16009 0.16017 0.16026 0.16059 0.16258 0.20394 0.21557 0.21629 0.21993 0.22100 0.22200 0.23099 0.23247 0.23328 0.23711 0.24641 0.24829 0.24907 0.25041 0.25156 0.25207 0.25506 0.27426 0.28100 0.29386 0.33012 0.33075 0.33730 0.33806 0.33844 0.34480 0.34496 0.34503 0.34506 0.34509 0.34549 0.34696 0.34713 0.34947 0.34965 0.35163 0.36489 0.37551 0.38531 0.39721 0.40651 0.41130 0.42599 0.42694 0.42932 0.43342 0.43644 0.44828 0.44893 0.46013 0.46763 0.46839 0.47025 0.47339 0.47655 0.49101 0.49667 0.51063 0.55373 0.60082 0.61604 0.62810 0.85026 -6.87791213e-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 R47 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 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 2.31555 2.81268 2.81489 2.89224 2.89189 2.90526 2.67715 2.64573 2.67854 2.64522 2.58204 2.57965 2.61893 2.06437 2.65319 2.06204 2.49806 2.07192 2.65414 2.49656 2.07141 2.61847 2.06207 2.06437 2.54244 2.54026 2.58215 2.05069 2.59404 2.05087 2.59739 1.94750 6.68029 1.94901 6.34252 2.63378 2.63549 2.06232 2.63631 3.98510 2.63448 2.06333 2.63357 2.06344 2.63214 2.06310 2.06371 2.10622 2.10469 2.07177 2.07393 2.10001 2.09799 2.13067 2.07420 2.07740 2.13198 2.07213 2.07835 2.07763 2.09568 2.10868 2.07997 2.09185 2.10970 2.07936 2.06964 2.13415 2.06374 2.12231 2.09712 2.16108 2.08829 2.03382 2.07504 2.15914 2.09095 2.03307 2.06457 2.09671 2.12190 2.07906 2.07045 2.13360 2.07644 2.21059 2.21297 1.85605 2.27822 1.86153 2.14343 2.27611 1.86076 2.14627 1.92226 2.04456 1.62444 2.31444 1.85956 1.20223 1.92397 2.04907 1.43487 2.30693 1.30654 1.86532 2.08011 2.10743 2.09538 2.11161 2.08629 2.08526 2.07981 2.10482 2.09845 2.10181 2.08565 2.09559 2.09108 2.09656 2.09531 2.10193 2.08320 2.09776 1.50142 1.51244 -3.13537 -0.04005 -0.02759 3.06774 3.12624 0.02595 0.01842 -3.08187 -0.02252 3.06708 -3.00380 0.08580 0.01389 -3.06628 2.99536 -0.08481 -0.03370 3.00443 -3.01277 0.02537 0.01119 3.09070 -3.08406 -0.00454 -3.08747 0.04135 0.00929 3.13811 0.00625 -3.08294 3.10640 0.01721 3.09315 -0.03905 -0.00843 -3.14064 -3.10132 -0.01266 3.07424 -0.00485 -0.00405 -3.13982 3.12779 -0.00797 0.00907 -3.12969 -3.13827 0.00616 -0.00057 3.13826 -0.00480 3.13901 3.12993 -0.00945 0.00970 -3.12524 -0.00494 -3.13328 3.13440 0.00606 3.03729 -0.04611 1.13713 -0.01802 -3.10141 -1.91817 -3.03513 0.03081 -1.80210 0.02001 3.08596 1.25305 0.01203 -3.13993 -3.12817 0.00306 -0.01448 -3.06540 -1.33326 3.12838 0.07745 1.80960 0.00932 3.08053 1.74942 3.14150 -0.07048 -1.40158 0.21176 -1.74409 2.27078 0.99738 2.97822 -1.03342 0.00207 -3.13100 3.11892 -0.01415 0.00344 3.11892 -3.11358 0.00190 -0.00586 -3.13161 3.12721 0.00146 0.00419 -3.11987 3.12999 0.00594 1.26734 -1.85824 0.00122 -3.11709 3.12518 0.00687 1.12708 -1.99704 -0.00508 -3.12034 3.11325 -0.00202 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00002 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00001 -0.00002 0.00000 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -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 0.00004 -0.00003 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00002 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00002 0.00002 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 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 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -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 -0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 0.00000 0.00001 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 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00002 0.00002 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00004 -0.00000 0.00002 0.00000 0.00002 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00002 0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00002 -0.00000 -0.00000 -0.00003 0.00002 -0.00002 0.00000 -0.00001 -0.00000 0.00001 -0.00006 0.00092 0.00005 -0.00002 0.00000 -0.00001 -0.00000 -0.00001 -0.00001 0.00004 -0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00003 0.00001 0.00002 -0.00002 -0.00000 -0.00003 0.00003 0.00000 0.00004 -0.00004 0.00000 -0.00001 0.00002 -0.00001 -0.00000 0.00004 -0.00003 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00001 0.00002 0.00017 -0.00016 -0.00001 -0.00002 0.00000 0.00002 0.00002 -0.00001 -0.00001 0.00001 0.00004 -0.00024 -0.00005 -0.00016 0.00036 0.00000 -0.00005 0.00022 0.00005 0.00002 -0.00013 -0.00001 -0.00001 0.00002 -0.00000 0.00001 -0.00000 0.00001 -0.00003 0.00002 -0.00002 -0.00006 0.00008 -0.00000 0.00001 -0.00001 0.00002 0.00002 -0.00003 -0.00009 0.00002 0.00009 0.00008 0.00006 0.00006 -0.00008 -0.00016 -0.00006 -0.00014 0.00013 0.00010 -0.00002 -0.00005 -0.00013 -0.00014 0.00003 0.00001 0.00016 0.00014 0.00001 -0.00001 0.00003 0.00005 0.00004 0.00005 -0.00006 -0.00005 -0.00007 -0.00005 -0.00004 -0.00001 0.00004 0.00007 0.00008 0.00004 -0.00000 -0.00004 -0.00007 -0.00010 -0.00000 -0.00002 -0.00005 -0.00002 -0.00000 0.00002 0.00002 0.00004 -0.00000 0.00001 0.00005 0.00004 -0.00001 0.00000 -0.00003 -0.00001 -0.00000 0.00001 0.00005 0.00003 0.00003 0.00001 -0.00006 -0.00007 0.00020 -0.00004 -0.00005 0.00022 -0.00000 0.00008 0.00012 -0.00000 0.00008 0.00011 -0.00009 -0.00009 -0.00006 -0.00007 0.00005 -0.00004 -0.00021 0.00007 -0.00002 -0.00018 0.00007 0.00009 -0.00026 0.00007 0.00008 -0.00026 -0.00001 0.00009 0.00008 0.00016 0.00008 0.00015 0.00002 -0.00004 0.00002 -0.00005 -0.00005 -0.00001 -0.00005 -0.00001 0.00005 0.00006 0.00011 0.00012 -0.00009 0.00001 -0.00009 0.00000 -0.00002 -0.00001 0.00005 0.00000 -0.00005 -0.00010 0.00006 0.00015 0.00002 -0.00003 0.00007 0.00002 0.00000 0.00002 -0.00002 -0.00000 -0.00001 -0.00003 0.00002 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00002 0.00002 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00002 0.00000 -0.00002 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00003 0.00003 0.00002 -0.00001 -0.00001 -0.00002 0.00002 0.00000 0.00002 -0.00003 0.00000 -0.00003 0.00004 0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00000 0.00006 -0.00006 0.00000 -0.00003 0.00001 0.00001 0.00002 -0.00001 -0.00001 0.00000 -0.00001 -0.00009 -0.00001 0.00002 -0.00007 -0.00001 0.00002 0.00003 0.00000 -0.00001 0.00008 -0.00000 0.00001 -0.00000 0.00000 0.00003 -0.00003 -0.00000 -0.00002 0.00002 0.00000 -0.00003 0.00003 0.00000 0.00002 -0.00002 -0.00000 0.00000 0.00000 0.00002 0.00008 0.00006 0.00011 0.00008 0.00012 0.00003 -0.00003 0.00002 -0.00004 0.00004 0.00004 -0.00002 -0.00002 0.00005 -0.00007 0.00011 -0.00002 -0.00012 -0.00006 -0.00018 -0.00012 -0.00011 0.00002 -0.00016 -0.00003 -0.00003 -0.00001 0.00002 0.00004 -0.00007 -0.00007 -0.00001 -0.00001 0.00007 0.00005 0.00001 -0.00001 0.00005 0.00005 0.00013 0.00001 -0.00005 -0.00005 -0.00003 -0.00003 0.00009 -0.00014 0.00009 -0.00014 -0.00009 0.00013 -0.00003 -0.00005 0.00004 0.00002 0.00003 -0.00004 0.00001 -0.00001 0.00002 0.00000 0.00005 0.00018 0.00006 0.00000 0.00014 0.00001 -0.00002 0.00010 -0.00001 0.00003 0.00015 0.00004 -0.00014 0.00001 -0.00010 0.00005 -0.00005 -0.00020 -0.00009 -0.00001 -0.00016 -0.00005 -0.00003 -0.00020 -0.00013 0.00010 -0.00006 0.00001 0.00005 0.00007 0.00009 0.00008 0.00005 0.00005 -0.00004 -0.00005 0.00001 0.00001 0.00005 0.00003 -0.00001 -0.00002 -0.00003 0.00003 -0.00002 0.00004 0.00009 -0.00000 0.00003 -0.00006 0.00006 0.00012 -0.00009 -0.00007 0.00001 0.00002 0.00004 -0.00006 0.00002 0.00003 0.00000 0.00002 -0.00001 0.00006 -0.00002 0.00002 -0.00001 -0.00002 0.00002 -0.00002 -0.00001 -0.00000 0.00001 -0.00003 0.00001 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00003 -0.00000 -0.00000 -0.00004 0.00003 -0.00002 0.00000 -0.00003 -0.00000 0.00001 -0.00006 0.00090 0.00005 -0.00004 0.00001 -0.00002 -0.00000 -0.00001 -0.00001 0.00002 0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00002 0.00002 -0.00000 -0.00000 -0.00001 0.00004 0.00004 -0.00003 -0.00001 -0.00005 0.00005 0.00001 0.00006 -0.00007 0.00000 -0.00004 0.00005 -0.00000 -0.00001 0.00004 -0.00004 0.00000 -0.00002 0.00002 0.00001 -0.00001 -0.00000 -0.00001 -0.00002 0.00002 -0.00001 -0.00001 0.00001 -0.00000 0.00001 0.00002 -0.00003 0.00002 0.00023 -0.00021 -0.00001 -0.00005 0.00002 0.00003 0.00004 -0.00002 -0.00002 0.00002 0.00003 -0.00033 -0.00006 -0.00013 0.00029 -0.00001 -0.00003 0.00025 0.00005 0.00001 -0.00005 -0.00001 -0.00000 0.00001 0.00000 0.00003 -0.00003 0.00001 -0.00005 0.00004 -0.00002 -0.00009 0.00011 0.00000 0.00003 -0.00003 0.00001 0.00002 -0.00003 -0.00007 0.00010 0.00015 0.00019 0.00014 0.00018 -0.00005 -0.00019 -0.00004 -0.00018 0.00017 0.00014 -0.00004 -0.00007 -0.00008 -0.00022 0.00013 -0.00001 0.00004 0.00008 -0.00017 -0.00013 -0.00007 0.00007 -0.00012 0.00002 -0.00009 -0.00005 -0.00004 -0.00001 -0.00011 -0.00008 0.00003 0.00006 0.00015 0.00008 0.00001 -0.00005 -0.00002 -0.00005 0.00013 -0.00001 -0.00010 -0.00007 -0.00003 -0.00000 0.00012 -0.00010 0.00009 -0.00013 -0.00004 0.00017 -0.00005 -0.00005 0.00001 0.00001 0.00003 -0.00003 0.00006 0.00002 0.00006 0.00002 -0.00002 0.00011 0.00026 -0.00004 0.00009 0.00023 -0.00002 0.00018 0.00010 0.00003 0.00023 0.00015 -0.00023 -0.00009 -0.00016 -0.00002 -0.00001 -0.00024 -0.00030 0.00005 -0.00018 -0.00024 0.00004 -0.00011 -0.00038 0.00017 0.00002 -0.00025 0.00004 0.00016 0.00017 0.00023 0.00013 0.00019 -0.00003 -0.00009 0.00003 -0.00004 -0.00000 0.00002 -0.00006 -0.00003 0.00002 0.00009 0.00009 0.00016 0.00001 0.00001 -0.00006 -0.00006 0.00003 0.00010 -0.00004 -0.00007 -0.00004 -0.00008 0.00009 0.00010 0.00003 0.00001 0.00007 0.00004 2.31554 2.81274 2.81487 2.89226 2.89188 2.90524 2.67717 2.64571 2.67853 2.64522 2.58205 2.57962 2.61894 2.06437 2.65319 2.06204 2.49807 2.07192 2.65413 2.49657 2.07141 2.61850 2.06207 2.06437 2.54241 2.54029 2.58213 2.05069 2.59401 2.05087 2.59740 1.94743 6.68119 1.94906 6.34249 2.63378 2.63547 2.06232 2.63630 3.98509 2.63450 2.06333 2.63355 2.06345 2.63215 2.06310 2.06371 2.10621 2.10471 2.07177 2.07392 2.10001 2.09803 2.13071 2.07418 2.07739 2.13193 2.07218 2.07835 2.07769 2.09562 2.10869 2.07992 2.09191 2.10970 2.07935 2.06968 2.13411 2.06374 2.12229 2.09714 2.16108 2.08828 2.03382 2.07503 2.15913 2.09098 2.03306 2.06457 2.09672 2.12190 2.07908 2.07046 2.13357 2.07646 2.21082 2.21275 1.85604 2.27818 1.86155 2.14346 2.27615 1.86074 2.14625 1.92228 2.04459 1.62411 2.31438 1.85943 1.20252 1.92396 2.04904 1.43513 2.30698 1.30656 1.86528 2.08010 2.10743 2.09539 2.11161 2.08632 2.08522 2.07982 2.10477 2.09849 2.10180 2.08555 2.09570 2.09108 2.09659 2.09528 2.10194 2.08322 2.09773 1.50135 1.51254 -3.13523 -0.03986 -0.02745 3.06792 3.12619 0.02576 0.01838 -3.08205 -0.02235 3.06722 -3.00384 0.08572 0.01381 -3.06649 2.99549 -0.08481 -0.03366 3.00452 -3.01294 0.02524 0.01111 3.09077 -3.08418 -0.00452 -3.08756 0.04129 0.00924 3.13810 0.00614 -3.08302 3.10643 0.01727 3.09330 -0.03897 -0.00842 -3.14069 -3.10133 -0.01271 3.07437 -0.00487 -0.00415 -3.13989 3.12776 -0.00797 0.00918 -3.12979 -3.13818 0.00603 -0.00062 3.13843 -0.00485 3.13896 3.12993 -0.00944 0.00972 -3.12527 -0.00489 -3.13326 3.13446 0.00608 3.03727 -0.04600 1.13739 -0.01806 -3.10132 -1.91793 -3.03516 0.03099 -1.80199 0.02004 3.08618 1.25320 0.01180 -3.14002 -3.12833 0.00304 -0.01448 -3.06564 -1.33356 3.12843 0.07727 1.80936 0.00935 3.08042 1.74904 -3.14152 -0.07046 -1.40183 0.21181 -1.74392 2.27095 0.99761 2.97836 -1.03322 0.00205 -3.13109 3.11894 -0.01419 0.00344 3.11894 -3.11363 0.00188 -0.00584 -3.13152 3.12730 0.00162 0.00419 -3.11986 3.12993 0.00588 1.26737 -1.85814 0.00118 -3.11716 3.12513 0.00679 1.12717 -1.99694 -0.00505 -3.12034 3.11332 -0.00198 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000040 0.000007 0.001667 0.000401 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.213918e-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 R47 1 1 1 3 3 3 4 4 5 5 6 7 8 8 9 9 10 10 15 15 15 16 16 17 22 22 23 23 23 24 24 27 27 29 29 31 31 31 32 32 33 33 34 34 35 35 36 2 4 5 6 7 22 7 17 6 8 11 18 9 12 10 13 11 14 16 18 20 17 21 19 27 29 24 25 29 26 27 28 39 30 38 32 36 37 33 42 34 38 35 39 36 40 41 1.2253 1.4884 1.4896 1.5305 1.5303 1.5374 1.4167 1.4001 1.4174 1.3998 1.3664 1.3651 1.3859 1.0924 1.404 1.0912 1.3219 1.0964 1.4045 1.3211 1.0961 1.3856 1.0912 1.0924 1.3454 1.3442 1.3664 1.0852 1.3727 1.0853 1.3745 1.0306 3.5351 1.0314 3.3563 1.3937 1.3946 1.0913 1.3951 2.1088 1.3941 1.0919 1.3936 1.0919 1.3929 1.0917 1.0921 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 4 6 6 7 1 1 7 1 1 6 3 3 5 3 3 4 5 5 9 8 8 10 9 9 11 6 16 16 18 15 15 17 4 4 16 7 3 3 27 24 24 25 23 23 26 22 22 22 24 24 28 22 22 22 23 23 30 32 32 36 31 31 33 32 32 34 33 33 35 34 34 36 31 31 35 29 27 1 1 1 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 15 15 15 16 16 16 17 17 17 18 22 22 22 23 23 23 24 24 24 27 27 27 27 27 27 29 29 29 29 29 29 31 31 31 32 32 32 33 33 33 34 34 34 35 35 35 36 36 36 38 39 4 5 5 7 22 22 7 17 17 6 8 8 5 11 11 4 18 18 9 12 12 10 13 13 11 14 14 10 18 20 20 17 21 21 16 19 19 15 27 29 29 25 29 29 26 27 27 24 28 39 28 39 39 23 30 38 30 38 38 36 37 37 33 42 42 34 38 38 35 39 39 36 40 40 35 41 41 33 34 120.6777 120.59 118.7036 118.8273 120.3218 120.2059 122.0786 118.8432 119.0262 122.1535 118.7245 119.0806 119.0395 120.0737 120.8185 119.1732 119.8544 120.877 119.1384 118.5814 122.2779 118.2434 121.5995 120.1562 123.8205 119.6502 116.5291 118.8912 123.7097 119.8029 116.4864 118.2913 120.1327 121.5759 119.1215 118.6278 122.2465 118.971 126.6576 126.7936 106.3436 130.5326 106.6577 122.8096 130.4115 106.6136 122.9722 110.1374 117.1448 93.0733 132.6076 106.5449 68.8828 110.2352 117.403 82.2123 132.1773 74.8594 106.8752 119.1816 120.7468 120.0564 120.9864 119.5355 119.4764 119.1643 120.5972 120.2322 120.425 119.4987 120.0687 119.8101 120.1239 120.0525 120.4315 119.3586 120.1929 86.0248 86.6563 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 5 5 2 2 4 4 7 7 22 22 6 6 22 22 6 6 7 7 1 1 17 17 1 1 7 7 1 1 8 8 1 1 6 6 3 5 3 4 5 5 12 12 8 8 13 13 9 14 18 18 20 20 16 20 15 15 21 21 3 3 3 29 29 29 3 3 3 27 27 27 25 25 29 29 24 24 24 25 25 25 23 23 23 26 26 26 22 24 28 22 23 30 36 36 37 37 32 32 37 37 31 31 42 42 32 32 38 38 32 34 33 33 39 39 33 35 34 34 40 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 7 7 8 8 8 8 9 9 9 9 10 10 15 15 15 15 15 15 16 16 16 16 22 22 22 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 27 27 27 29 29 29 31 31 31 31 31 31 31 31 32 32 32 32 33 33 33 33 33 33 34 34 34 34 34 34 35 35 35 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 7 22 22 22 22 7 7 7 7 17 17 17 17 6 6 6 6 8 8 8 8 11 11 18 18 9 9 9 9 10 10 10 10 11 11 16 16 16 16 18 18 17 17 17 17 27 27 27 27 27 27 29 29 29 29 29 29 24 24 24 24 29 29 29 29 29 29 27 27 27 27 27 27 39 39 39 38 38 38 32 32 32 32 36 36 36 36 33 33 33 33 34 34 34 34 38 38 35 35 35 35 39 39 36 36 36 7 17 7 17 6 8 6 8 5 11 5 11 4 18 4 18 27 29 27 29 3 18 3 18 16 19 16 19 3 11 3 11 9 12 9 12 10 10 15 15 10 13 10 13 11 14 11 14 6 6 17 21 17 21 7 7 4 19 4 19 24 28 39 24 28 39 23 30 38 23 30 38 26 27 26 27 22 30 38 22 30 38 22 28 39 22 28 39 34 34 34 33 33 33 33 42 33 42 35 41 35 41 34 38 34 38 35 39 35 39 29 29 36 40 36 40 27 27 31 41 31 -179.6436 -2.2945 -1.5806 175.7686 179.1203 1.4866 1.0555 -176.5782 -1.2901 175.7305 -172.1049 4.9157 0.7957 -175.6848 171.6214 -4.859 -1.9311 172.1412 -172.6188 1.4535 0.641 177.0843 -176.7035 -0.2601 -176.8993 2.3691 0.532 179.8004 0.3582 -176.6395 177.9838 0.986 177.2247 -2.2376 -0.483 -179.9453 -177.6923 -0.7254 176.1412 -0.2782 -0.2321 -179.8983 179.2094 -0.4567 0.5194 -179.3182 -179.8095 0.3529 -0.0329 179.8093 -0.275 179.852 179.3315 -0.5415 0.5557 -179.0628 -0.2831 -179.5238 179.588 0.3473 174.0237 -2.6417 65.153 -1.0322 -177.6976 -109.9029 -173.9004 1.7651 -103.2527 1.1467 176.8123 71.7944 0.6894 -179.9048 -179.2307 0.1752 -0.8294 -175.6346 -76.3901 179.2429 4.4377 103.6822 0.5339 176.5012 100.2346 -180.0053 -4.038 -80.3046 12.1332 -99.9288 130.106 57.1455 170.6397 -59.2104 0.1187 -179.3928 178.7007 -0.8109 0.197 178.701 -178.3949 0.1091 -0.3357 -179.4279 179.1762 0.0839 0.2398 -178.7555 179.3355 0.3402 72.6132 -106.4693 0.0699 -178.5961 179.0594 0.3934 64.577 -114.422 -0.2911 -178.7825 178.3759 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0445028209 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 449.9556699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,11,18,29,27,2;35,34,36,33,31,32,42/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(16,17)(18,19);(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.2,17.2,20.1;1.3,2.3,3.3,4.3,5.3,6.3/rA:42nC3O1BC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHC3C3C3C3C3C3HHHHHI/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s24;s27;s22s23;s29;;s31;s32;s33;s34;s31s35;s31;s33;s34;s35;s36;s32;/rC:.2599,1.9002,-1.6772;-.1913,3.0404,-1.8831;1.2947,-.8439,-1.0435;-.5123,.6987,-2.0302;1.6001,1.7047,-1.101;2.1518,.4159,-.8328;-.0593,-.6237,-1.7436;2.3633,2.8481,-.8035;3.6322,2.7035,-.2837;4.1172,1.3931,-.0839;3.4252,.306,-.3389;1.913,3.8242,-.9998;4.2558,3.5665,-.0373;5.1337,1.2481,.3087;-1.9803,-1.5071,-2.6998;-2.4969,-.2341,-3.0223;-1.7513,.8717,-2.6739;-.832,-1.7015,-2.0924;-2.0822,1.8935,-2.8745;-2.5573,-2.4056,-2.9592;-3.4633,-.1419,-3.5239;1.7661,-2.3049,-.6132;1.4228,-4.2416,.5199;2.6397,-3.7813,.8736;.9446,-5.1802,.7953;3.3886,-4.2541,1.5071;2.7344,-2.4333,.4798;3.631,-2.0027,.2849;.7174,-3.1978,-.1079;.0061,-3.3938,-.8061;-.7177,1.9081,1.9849;-.9721,.5702,1.6787;.026,-.3964,1.771;1.2966,-.0132,2.2047;1.5621,1.3128,2.5323;.5572,2.2729,2.4136;-1.4981,2.6619,1.8711;-.1386,-1.4329,1.4585;2.085,-.7699,2.19;2.5684,1.6091,2.8365;.7682,3.3223,2.6332;-2.9031,.0065,1.0389; 0.000000 1.243446 0.000000 3.000407 4.242792 0.000000 1.471257 2.368215 2.572658 0.000000 1.471857 2.367518 2.567480 2.517526 0.000000 2.548564 3.671688 1.538209 2.934477 1.427308 0.000000 2.544885 3.669173 1.540154 1.426915 2.930570 2.607559 0.000000 2.466985 2.780012 3.851042 3.793942 1.406534 2.441571 4.336647 0.000000 3.736209 4.158219 4.315681 4.924073 2.407246 2.779597 5.179664 1.378856 0.000000 4.204049 4.951144 3.727099 5.069764 2.732592 2.319164 4.925981 2.389781 1.411468 0.000000 3.788302 4.789627 2.521468 4.303337 2.422368 1.370257 3.870342 2.793865 2.406995 1.313598 0.000000 2.625488 2.412985 4.709067 4.088100 2.144851 3.420720 4.922102 1.092715 2.173595 3.406994 3.885999 0.000000 4.629547 4.843585 5.406688 5.910241 3.413257 3.871183 6.252180 2.164415 1.092893 2.178349 3.378107 2.545884 0.000000 5.303069 6.030927 4.576314 6.135942 3.831679 3.299602 5.889234 3.387070 2.173383 1.099306 2.055676 4.326835 2.503119 0.000000 4.204007 4.954507 3.729442 2.732877 5.068623 4.925181 2.320492 6.436630 7.420657 7.241049 6.170930 6.816871 8.468689 8.200645 0.000000 3.736875 4.163603 4.320156 2.406802 4.922964 5.179410 2.780023 6.167981 7.327651 7.418043 6.524048 6.325071 8.303787 8.456821 1.411188 0.000000 2.469026 2.786043 3.857443 1.406890 3.794710 4.339510 2.442256 4.932963 6.168479 6.435735 5.706856 4.994624 7.092126 7.512686 2.389961 1.378435 0.000000 3.786349 4.789529 2.521606 2.422118 4.301151 3.869457 1.371193 5.706982 6.527160 6.172890 5.022798 6.265880 7.606605 7.074926 1.313491 2.406188 2.793664 0.000000 2.630411 2.423556 4.716953 2.145922 4.091505 4.927304 3.421613 4.996243 6.326318 6.816879 6.267422 4.816964 7.142708 7.913163 3.406617 2.172658 1.092599 3.885678 0.000000 5.302831 6.034483 4.576759 3.831641 6.134452 5.887080 3.300388 7.514028 8.459943 8.200352 7.071706 7.914081 9.519537 9.120293 1.098896 2.173301 3.387042 2.055185 4.326135 0.000000 4.630626 4.850270 5.411456 3.412607 5.909189 6.251567 3.871506 7.091520 8.303062 8.464817 7.602371 7.141774 9.246222 9.514669 2.177657 1.092728 2.163538 3.377141 2.544031 2.502824 0.000000 4.591635 5.832343 1.594280 4.027457 4.042520 2.756721 2.726955 5.190953 5.354840 4.413894 3.105574 6.142985 6.403377 4.981357 4.361862 5.316489 5.168120 3.049974 6.127756 4.919925 6.363747 0.000000 6.625765 7.836276 3.742278 5.886740 6.165773 4.904417 4.517629 7.273205 7.332195 6.274845 5.042620 8.222303 8.324820 6.629615 5.424468 6.631073 6.813315 4.284896 7.838776 5.596067 7.552046 2.269950 0.000000 6.667037 7.883533 3.756672 6.199815 5.922489 4.557027 4.909689 6.843842 6.661593 5.465713 4.335161 7.866463 7.578381 5.642146 6.267846 7.358379 7.315515 5.017557 8.279405 6.602425 8.356443 2.270192 1.348287 0.000000 7.530815 8.720196 4.722990 6.683308 7.171230 5.951787 5.311776 8.307924 8.398749 7.351569 6.126834 9.232445 9.389418 7.688137 5.853397 7.133141 7.478550 4.857617 8.524430 5.835904 7.966742 3.305471 1.088780 2.199161 0.000000 7.602819 8.804452 4.745392 7.229032 6.745907 5.367803 5.969451 7.538622 7.188446 5.912058 4.919719 8.586033 8.018647 5.895362 7.353120 8.444772 8.376917 6.106166 9.323110 7.662750 9.442913 3.305663 2.199764 1.088829 2.708728 0.000000 5.436432 6.641138 2.630459 5.162430 4.572566 3.190662 4.002895 5.447728 5.270232 4.107422 2.941332 6.482280 6.211246 4.397536 5.761621 6.668423 6.402404 4.457716 7.291946 6.311087 7.726046 1.465896 2.234251 1.407549 3.293661 2.190528 0.000000 5.517810 6.689026 2.926695 5.461141 4.448555 3.047434 4.431118 5.130484 4.740383 3.450160 2.400347 6.209218 5.613391 3.581360 6.374986 7.184450 6.781281 5.065631 7.602804 6.998667 8.264279 2.091810 3.153419 2.119615 4.192084 2.573185 1.013557 0.000000 5.353668 6.549259 2.598002 4.515544 5.079389 3.955014 3.147201 6.304465 6.584273 5.712778 4.434290 7.178694 7.634249 6.280426 4.105362 5.254433 5.407417 2.928813 6.435340 4.413730 6.203683 1.467212 1.407536 2.235903 2.190198 3.295316 2.235723 3.173640 0.000000 5.371114 6.526659 2.866777 4.302910 5.349928 4.372403 2.925097 6.672096 7.113183 6.351063 5.059321 7.468063 8.191202 7.005805 3.330380 4.600014 4.977105 2.284915 6.049343 3.490469 5.477018 2.078576 2.117551 3.147618 2.576141 4.187110 3.165385 4.032994 1.015750 0.000000 3.790396 4.064574 4.560111 4.198333 3.864763 4.289525 4.554739 4.260366 4.969970 5.284011 5.013013 4.415883 5.619114 6.122387 5.933348 5.729476 4.883370 5.446686 5.047418 6.814472 6.487519 5.537949 6.674339 6.698979 7.377104 7.420373 5.747158 6.090592 5.701726 6.035172 0.000000 3.814333 4.404323 3.814291 3.739525 3.953497 4.011268 3.737821 4.740726 5.440708 5.448338 4.845306 5.107456 6.265192 6.294197 4.950118 5.007179 4.432133 4.404728 4.869878 5.734058 5.812106 4.584467 5.498391 5.712204 6.125454 6.505293 4.919018 5.454469 4.499403 4.779600 1.395830 0.000000 4.149648 5.021134 3.119514 3.992281 3.891142 3.458141 3.523026 4.755809 5.180340 4.835347 4.062005 5.389949 6.071705 5.561577 5.024671 5.419174 4.952238 4.167161 5.591923 5.752007 6.346349 3.514954 4.278050 4.369679 4.967876 5.124241 3.626486 4.217181 3.443266 3.952960 2.430987 1.392546 0.000000 4.450296 5.314939 3.352790 4.659777 3.737771 3.184674 4.219109 4.286469 4.362051 3.894987 3.332135 5.037263 5.157251 4.461943 6.084776 6.462297 5.820135 5.083956 6.391440 6.873342 7.449179 3.662441 4.553512 4.216016 5.367334 4.780012 3.301470 3.618503 3.978181 4.707326 2.792272 2.400820 1.396204 0.000000 4.445264 5.055143 4.184369 5.049390 3.654516 3.532117 4.966117 3.758451 3.761506 3.657728 3.567696 4.348039 4.351712 4.207678 6.919171 7.051335 6.186872 6.017045 6.546095 7.807200 8.002975 4.798267 5.909355 5.464634 6.749575 5.947866 4.429445 4.508160 5.294314 5.976398 2.418946 2.775247 2.420853 1.391374 0.000000 4.118482 4.428387 4.712755 4.834172 3.709812 4.065744 5.104222 3.733873 4.112930 4.436743 4.435133 3.986896 4.621588 5.140516 6.846481 6.720218 5.759783 6.166798 5.922356 7.775343 7.566322 5.619566 6.839201 6.585000 7.636593 7.172195 5.534279 5.679838 6.026011 6.540750 1.393612 2.403730 2.796540 2.411756 1.394913 0.000000 4.032615 3.993154 5.346605 4.477337 4.398767 5.067347 5.092377 4.700903 5.564664 6.079787 5.888472 4.607451 6.129240 6.958548 6.205396 5.773223 4.891467 5.932317 4.842818 7.080559 6.389791 6.441808 7.616872 7.722198 8.283891 8.476075 6.768433 7.112182 6.569771 6.789828 1.091045 2.165400 3.418590 3.883044 3.409166 2.161031 0.000000 4.593529 5.583822 2.942933 4.105335 4.406592 3.730083 3.303670 5.449974 5.862014 5.336303 4.353718 6.155353 6.822113 6.025458 4.548476 5.203457 4.998862 3.627861 5.798041 5.129547 6.127320 2.946207 3.347788 3.684553 3.956642 4.516877 3.195702 3.988932 2.510182 2.999016 3.431432 2.180781 1.095000 2.152274 3.403550 3.889675 4.334325 0.000000 5.041361 6.024114 3.329465 5.168427 4.145958 3.247722 4.482491 4.704020 4.536186 3.738767 3.057608 5.595490 5.336378 4.111642 6.401583 6.960517 6.408561 5.264551 7.078732 7.123265 7.989142 3.211833 3.909041 3.333031 4.764048 3.782217 2.472489 2.745758 3.611870 4.492547 3.881849 3.376871 2.134135 1.092927 2.174439 3.412192 4.971746 2.432920 0.000000 5.078181 5.651536 4.763852 5.831381 4.055968 3.880908 5.733103 3.850554 3.473501 3.312715 3.537741 4.478129 3.864875 3.619496 7.813620 7.961199 7.040514 6.842297 7.370575 8.716750 8.938831 5.278617 6.396093 5.737114 7.273053 6.067688 4.682145 4.548071 5.933182 6.697961 3.407802 3.867168 3.409011 2.156022 1.092282 2.159779 4.310177 4.298911 2.512219 0.000000 4.567368 4.625736 5.581480 5.501885 4.153698 4.730214 5.950869 3.818354 4.134479 4.724412 4.999124 3.842029 4.399331 5.363127 7.701864 7.435976 6.365459 7.080273 6.364089 8.668538 8.235071 6.572709 7.880818 7.553799 8.700616 8.095426 6.452122 6.485813 7.073075 7.583869 2.151300 3.393154 3.888858 3.404118 2.162989 1.092660 2.480580 4.981378 4.321621 2.493431 0.000000 4.579082 5.009613 4.762484 3.951482 5.267042 5.405789 4.028254 6.261237 7.192532 7.243407 6.483467 6.474938 8.067240 8.164813 4.137764 4.088604 3.982531 4.124531 4.421517 4.682259 4.599475 5.465703 6.085185 6.715482 6.462653 7.612943 6.168201 6.877486 4.968982 4.840419 3.047424 2.110881 3.045969 4.358523 4.886115 4.358868 3.117282 3.144913 5.177736 5.978038 5.197528 0.000000 C20H15BIN4O(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 449.9556699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,11,18,29,27,2;35,34,36,33,31,32,42/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(16,17)(18,19);(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.2,17.2,20.1;1.3,2.3,3.3,4.3,5.3,6.3/rA:42nC3O1BC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHC3C3C3C3C3C3HHHHHI/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s24;s27;s22s23;s29;;s31;s32;s33;s34;s31s35;s31;s33;s34;s35;s36;s32;/rC:.2923,-1.9158,1.6483;-.1406,-3.0673,1.8292;1.2835,.8574,1.0746;-.5025,-.7347,2.02;1.6322,-1.6863,1.0842;2.1632,-.3833,.8445;-.0705,.6005,1.7621;2.4164,-2.8105,.769;3.6857,-2.6342,.2599;4.1493,-1.3121,.0886;3.4374,-.2421,.3606;1.9818,-3.7978,.9435;4.3253,-3.4815,.0004;5.1654,-1.1421,-.2949;-2.0117,1.4322,2.7237;-2.5083,.1445,3.0181;-1.7419,-.9414,2.6527;-.8635,1.6579,2.1271;-2.0564,-1.9724,2.8314;-2.6055,2.3155,2.9971;-3.4759,.0261,3.5119;1.7324,2.3343,.6758;1.3624,4.2868,-.4214;2.589,3.8543,-.7767;.8698,5.2223,-.6813;3.3333,4.352,-1.3962;2.7045,2.5006,-.4087;3.6072,2.0815,-.2168;.6714,3.2191,.1816;-.0471,3.3891,.8792;-.6641,-1.8685,-2.0191;-.9431,-.5414,-1.6884;.0388,.4437,-1.7558;1.3182,.0907,-2.1892;1.6082,-1.2239,-2.5409;.6192,-2.2031,-2.4471;-1.4322,-2.6376,-1.9248;-.1453,1.4709,-1.424;2.0935,.8602,-2.1549;2.6212,-1.497,-2.8448;.8494,-3.2442,-2.6859;-2.8871,-.0233,-1.0494; 0.1970358 0.1455624 0.1316067 -19.23834 -14.50288 -14.50040 -14.44561 -14.44526 -10.38147 -10.36960 -10.34680 -10.34593 -10.34329 -10.34307 -10.34116 -10.32223 -10.32109 -10.31908 -10.31718 -10.31338 -10.31106 -10.31002 -10.30959 -10.30909 -10.30736 -10.30662 -10.30398 -10.30296 -6.95098 -6.83422 -4.97374 -4.95807 -4.95801 -2.00772 -2.00275 -2.00260 -1.98931 -1.98930 -1.11477 -1.10789 -1.03660 -1.03461 -0.98933 -0.95804 -0.90896 -0.89819 -0.87752 -0.85591 -0.85355 -0.84512 -0.84262 -0.77237 -0.76543 -0.74189 -0.72866 -0.72546 -0.69902 -0.69745 -0.69412 -0.67817 -0.66593 -0.64180 -0.61794 -0.61161 -0.60375 -0.58204 -0.56718 -0.55872 -0.55664 -0.55192 -0.54602 -0.54108 -0.53487 -0.52934 -0.52050 -0.51849 -0.50757 -0.50511 -0.49229 -0.49014 -0.48822 -0.48397 -0.48191 -0.47945 -0.46874 -0.46369 -0.44019 -0.43833 -0.41711 -0.41152 -0.40606 -0.38315 -0.37536 -0.36618 -0.36090 -0.34768 -0.34495 -0.33379 -0.33219 -0.33086 -0.32910 -0.32806 -0.30239 -0.22664 -0.03093 0.00822 0.04144 0.04942 0.05164 0.05447 0.06069 0.08155 0.13057 0.13433 0.13716 0.14993 0.15734 0.16551 0.17735 0.18081 0.19183 0.19489 0.20026 0.20448 0.21257 0.21831 0.22162 0.22779 0.23170 0.23384 0.24074 0.24752 0.25359 0.26001 0.27154 0.28380 0.29610 0.29876 0.32022 0.32737 0.33196 0.33790 0.34207 0.34321 0.34890 0.35223 0.36530 0.36654 0.37031 0.38246 0.38714 0.39030 0.40031 0.40785 0.41475 0.42730 0.43161 0.43644 0.43777 0.44243 0.44928 0.46645 0.46788 0.47224 0.47831 0.48552 0.49326 0.49798 0.49931 0.50882 0.51208 0.52142 0.52515 0.52871 0.53190 0.53986 0.54420 0.54802 0.55012 0.55916 0.56599 0.56964 0.57467 0.57648 0.58389 0.59051 0.59995 0.60490 0.61822 0.62475 0.63363 0.63845 0.64163 0.64572 0.65267 0.65442 0.67093 0.67875 0.68373 0.69074 0.69479 0.69982 0.70886 0.71530 0.72280 0.72378 0.72784 0.73363 0.73514 0.73960 0.74386 0.74451 0.74757 0.75467 0.75776 0.76082 0.76292 0.77452 0.77842 0.78236 0.78569 0.79636 0.79967 0.80143 0.81602 0.81943 0.82178 0.82618 0.83357 0.83399 0.84070 0.84777 0.84888 0.85602 0.86744 0.87452 0.87927 0.88087 0.89394 0.90013 0.91532 0.91777 0.92850 0.94244 0.94911 0.95552 0.97246 0.98129 0.99140 0.99837 1.00701 1.01602 1.02658 1.03572 1.04453 1.05315 1.06182 1.06869 1.08990 1.10453 1.11425 1.13538 1.13775 1.15128 1.15510 1.17240 1.17925 1.18747 1.19007 1.20268 1.21981 1.23586 1.24655 1.24728 1.25801 1.27301 1.28483 1.29163 1.30348 1.30792 1.32065 1.32753 1.33312 1.33985 1.34213 1.34506 1.35413 1.35563 1.36051 1.36933 1.37474 1.38956 1.39810 1.41641 1.42038 1.43812 1.44289 1.44461 1.46610 1.47994 1.49087 1.49588 1.53548 1.54362 1.55974 1.58811 1.59267 1.60529 1.61106 1.62995 1.65130 1.67257 1.69200 1.70901 1.73609 1.74341 1.76593 1.77439 1.77581 1.78587 1.79098 1.79475 1.80288 1.80920 1.81261 1.82431 1.82965 1.83428 1.84618 1.84819 1.85158 1.85643 1.86108 1.86376 1.86979 1.87634 1.87888 1.88626 1.89418 1.90915 1.91429 1.91859 1.93374 1.94151 1.94932 1.95726 1.96298 1.96791 1.97925 1.98723 2.00875 2.01487 2.01568 2.02870 2.03230 2.03435 2.03670 2.04333 2.05380 2.05796 2.07502 2.08269 2.08893 2.09744 2.10412 2.11242 2.12397 2.13507 2.14715 2.14809 2.16387 2.17355 2.19744 2.20521 2.21648 2.23248 2.25001 2.25234 2.25668 2.26643 2.27116 2.28499 2.29248 2.30680 2.32971 2.34075 2.35224 2.35853 2.36904 2.37367 2.37902 2.39591 2.40258 2.41629 2.41821 2.43595 2.44477 2.45799 2.46807 2.47543 2.48430 2.49679 2.50287 2.51594 2.53176 2.54986 2.56057 2.58581 2.61699 2.62073 2.64071 2.66823 2.67264 2.67589 2.69170 2.70362 2.71389 2.71932 2.72452 2.73373 2.73738 2.76161 2.80131 2.80937 2.81266 2.82786 2.83199 2.84041 2.85061 2.85585 2.88583 2.89784 2.90284 2.90781 2.93379 2.94376 2.95339 2.96172 2.98318 2.99758 3.01572 3.04622 3.06707 3.10344 3.11217 3.11886 3.13525 3.18914 3.19598 3.20754 3.21321 3.21600 3.21733 3.28494 3.34952 3.38813 3.41623 3.47356 3.49418 3.59524 3.65884 3.68822 3.73892 3.74743 18.90822 19.01294 19.41138 56.61091 -19.23627 -14.49983 -14.49726 -14.44481 -14.44441 -10.38182 -10.36748 -10.34653 -10.34566 -10.34356 -10.34323 -10.34167 -10.32296 -10.32186 -10.31955 -10.31765 -10.31264 -10.31030 -10.30962 -10.30916 -10.30823 -10.30728 -10.30667 -10.30402 -10.30286 -6.95098 -6.83181 -4.97374 -4.95807 -4.95801 -2.00772 -2.00275 -2.00260 -1.98931 -1.98930 -1.11096 -1.10259 -1.03567 -1.03367 -0.98242 -0.95793 -0.90710 -0.89721 -0.87603 -0.85582 -0.84959 -0.84466 -0.84238 -0.77238 -0.76411 -0.73640 -0.72776 -0.72217 -0.69880 -0.69723 -0.69268 -0.67798 -0.66169 -0.63996 -0.61744 -0.60974 -0.60345 -0.58154 -0.56711 -0.55565 -0.55140 -0.55005 -0.54523 -0.53522 -0.53444 -0.52543 -0.51646 -0.51517 -0.50605 -0.50214 -0.49083 -0.48864 -0.48567 -0.48374 -0.48126 -0.47854 -0.46567 -0.46033 -0.43625 -0.43381 -0.41555 -0.40597 -0.39124 -0.37406 -0.37259 -0.36353 -0.35095 -0.34541 -0.33965 -0.33105 -0.33030 -0.32832 -0.32619 -0.32062 -0.30227 -0.04286 -0.00112 0.02219 0.04587 0.05026 0.05231 0.05485 0.06199 0.08748 0.13400 0.13599 0.14924 0.15142 0.15798 0.16616 0.17812 0.18213 0.19256 0.19605 0.20079 0.20479 0.21410 0.22021 0.22331 0.22876 0.23166 0.23436 0.24109 0.25046 0.25450 0.26282 0.27315 0.28468 0.29632 0.30462 0.32078 0.32819 0.33231 0.33848 0.34256 0.34504 0.34955 0.35360 0.36540 0.36672 0.37059 0.38328 0.38889 0.39056 0.40105 0.40782 0.41663 0.43014 0.43316 0.43706 0.43898 0.44520 0.45052 0.46716 0.46927 0.47649 0.48194 0.48551 0.49383 0.49816 0.49958 0.50957 0.51477 0.52219 0.52607 0.53068 0.53366 0.54294 0.54492 0.54862 0.55082 0.56079 0.56683 0.56998 0.57546 0.57762 0.58646 0.59214 0.60039 0.60592 0.62089 0.62479 0.63430 0.63888 0.64245 0.64643 0.65401 0.65565 0.67106 0.67971 0.68592 0.69184 0.69699 0.70098 0.70895 0.71558 0.72341 0.72412 0.72840 0.73422 0.73580 0.74024 0.74415 0.74494 0.74833 0.75512 0.75826 0.76136 0.76386 0.77544 0.77964 0.78257 0.78680 0.79705 0.80136 0.80287 0.81686 0.82037 0.82289 0.82705 0.83507 0.83538 0.84097 0.84829 0.84961 0.85678 0.86843 0.87536 0.88007 0.88227 0.89482 0.90180 0.91626 0.91909 0.92911 0.94373 0.95111 0.95610 0.97331 0.98292 0.99350 1.00015 1.00794 1.01922 1.02796 1.03826 1.04555 1.05600 1.06435 1.06990 1.09204 1.10804 1.11946 1.13811 1.14162 1.15247 1.15633 1.17503 1.18120 1.18889 1.19195 1.20669 1.22100 1.23946 1.25040 1.25058 1.26089 1.27458 1.28605 1.29273 1.30441 1.30905 1.32133 1.32860 1.33429 1.34110 1.34248 1.34641 1.35573 1.35702 1.36152 1.36989 1.37539 1.39003 1.39899 1.41769 1.42327 1.44101 1.44412 1.44607 1.46749 1.48099 1.49316 1.49852 1.53854 1.54578 1.56068 1.58970 1.59708 1.60614 1.61394 1.63840 1.65536 1.67592 1.69479 1.71001 1.73745 1.74488 1.76633 1.77467 1.77625 1.78643 1.79162 1.79586 1.80375 1.80946 1.81415 1.82546 1.83005 1.83553 1.84712 1.84923 1.85269 1.85734 1.86184 1.86499 1.87074 1.87679 1.87933 1.88664 1.89519 1.90958 1.91505 1.91975 1.93566 1.94261 1.95065 1.95818 1.96400 1.96886 1.98291 1.99112 2.00869 2.01683 2.01805 2.03029 2.03396 2.03502 2.03725 2.04410 2.05412 2.05879 2.07531 2.08514 2.09067 2.09786 2.10538 2.11407 2.12784 2.13784 2.14847 2.15036 2.16977 2.17546 2.19913 2.20579 2.21697 2.23474 2.25102 2.25276 2.25702 2.26749 2.27178 2.28708 2.29271 2.30711 2.33065 2.34347 2.35334 2.35959 2.37049 2.37498 2.37965 2.39691 2.40409 2.41662 2.41942 2.43614 2.44650 2.45834 2.46874 2.47634 2.48539 2.49890 2.50427 2.51683 2.53324 2.55149 2.56116 2.58854 2.61822 2.62319 2.64186 2.66945 2.67342 2.67750 2.69336 2.70776 2.71759 2.72420 2.72549 2.73388 2.74134 2.76390 2.80253 2.81222 2.81521 2.82876 2.83266 2.84099 2.85120 2.86027 2.89082 2.89932 2.90616 2.90812 2.93953 2.94556 2.95488 2.96469 2.98815 2.99799 3.01806 3.04664 3.06746 3.10395 3.11308 3.11897 3.13871 3.19218 3.19686 3.20831 3.21539 3.21819 3.21995 3.28503 3.35213 3.38988 3.42043 3.47425 3.49510 3.59735 3.65922 3.68827 3.74094 3.74783 18.90822 19.01294 19.41138 56.61091 2-A. 2.3881 3.1955 -0.9924 4.1108 -155.6494 -157.8962 -179.0875 -2.0407 -14.1094 3.5741 8.5616 6.3148 -14.8765 -2.0407 -14.1094 3.5741 -106.9822 83.4908 -35.4920 -6.6205 2.4612 -15.8872 -63.8989 2.5063 -61.7587 -14.5714 -4572.8950 -3587.4759 -3039.8912 -17.5392 -62.7349 7.5391 1.1265 48.2201 -5.5496 -1315.6907 -1271.7056 -1166.7334 -26.4188 -27.7734 3.0904 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 449.9556699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,11,18,29,27,2;35,34,36,33,31,32,42/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(16,17)(18,19);(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.2,17.2,20.1;1.3,2.3,3.3,4.3,5.3,6.3/rA:42nC3O1BC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHC3C3C3C3C3C3HHHHHI/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s24;s27;s22s23;s29;;s31;s32;s33;s34;s31s35;s31;s33;s34;s35;s36;s32;/rC:.7516,2.1732,-1.9;.4859,3.3116,-2.2676;1.3839,-.5635,-.9851;-.2548,1.083,-2.0177;2.0732,1.8638,-1.2864;2.4084,.5634,-.8331;.018,-.2415,-1.5954;2.9927,2.9042,-1.1092;4.2018,2.6374,-.4865;4.4506,1.3254,-.053;3.6021,.3244,-.2126;2.7256,3.9034,-1.4608;4.9469,3.4183,-.3262;5.3949,1.0911,.4525;-2.1402,-.8926,-2.1191;-2.4901,.3935,-2.5622;-1.5286,1.3899,-2.511;-.9426,-1.2093,-1.6599;-1.7328,2.414,-2.8317;-2.8848,-1.6968,-2.1384;-3.4974,.5899,-2.933;1.6404,-1.9373,-.3444;1.3079,-3.9769,.4905;2.5508,-3.5638,.8797;.7757,-4.9004,.6945;3.3043,-4.0666,1.4774;2.7328,-2.3099,.3469;3.4958,-1.6217,.4272;.7763,-2.9643,-.2686;-.15,-2.8383,-.7041;-1.4009,.4467,1.3382;-1.0291,-.777,1.8922;.2229,-.9471,2.4834;1.1128,.1258,2.5106;.7543,1.3542,1.9586;-.5016,1.5119,1.3771;-2.3731,.5694,.858;.5111,-1.9112,2.9072;2.1018,-.0071,2.9538;1.4633,2.1843,1.9621;-.7816,2.4658,.9251;-2.3729,-2.4008,1.8223; 0.000000 1.225336 0.000000 2.954103 4.179392 0.000000 1.488408 2.361745 2.542142 0.000000 1.489578 2.361776 2.541188 2.562002 0.000000 2.544646 3.647796 1.530509 2.960735 1.417424 0.000000 2.542057 3.646271 1.530324 1.416689 2.958304 2.634959 0.000000 2.486453 2.791384 3.824723 3.832579 1.399791 2.428416 4.356712 0.000000 3.757292 4.175409 4.293560 4.962032 2.401932 2.763692 5.198252 1.385880 0.000000 4.220543 4.956579 3.720367 5.104839 2.731912 2.315109 4.947934 2.394466 1.404009 0.000000 3.793545 4.780847 2.511030 4.325415 2.420838 1.366357 3.883037 2.798312 2.405152 1.321917 0.000000 2.661377 2.452978 4.688206 4.140951 2.148465 3.413269 4.952705 1.092415 2.175091 3.406395 3.890424 0.000000 4.650560 4.866255 5.383639 5.947477 3.405405 3.853771 6.268903 2.167055 1.091187 2.168223 3.375458 2.541034 0.000000 5.316547 6.035487 4.570780 6.166093 3.828150 3.293965 5.905974 3.390659 2.167124 1.096413 2.060173 4.323760 2.494599 0.000000 4.220131 4.959166 3.716676 2.732706 5.103259 4.946041 2.314282 6.463911 7.439526 7.254413 6.171659 6.863679 8.486745 8.205202 0.000000 3.756914 4.178367 4.290804 2.401744 4.961113 5.197492 2.761955 6.202913 7.356939 7.438913 6.529912 6.382441 8.334137 8.470401 1.404510 0.000000 2.487184 2.794693 3.824537 1.400058 3.833644 4.358749 2.427333 4.969956 6.204179 6.465027 5.722048 5.051567 7.128787 7.536988 2.395286 1.385635 0.000000 3.790696 4.779964 2.507028 2.419799 4.321827 3.880102 1.365089 5.719337 6.529819 6.171980 5.010092 6.295590 7.607859 7.065249 1.321123 2.403664 2.797070 0.000000 2.664305 2.459050 4.689365 2.149211 4.144463 4.956793 3.412629 5.053577 6.385121 6.865969 6.299844 4.896457 7.204540 7.958713 3.406949 2.174548 1.092417 3.889217 0.000000 5.315725 6.038369 4.564671 3.828611 6.163172 5.901678 3.292214 7.534800 8.469533 8.203044 7.062082 7.955932 9.528016 9.112496 1.096144 2.168996 3.392018 2.058785 4.325081 0.000000 4.650543 4.870002 5.380688 3.405171 5.946835 6.268065 3.852056 7.127661 8.333922 8.485597 7.607446 7.202184 9.279049 9.528113 2.168438 1.091203 2.166603 3.374118 2.539906 2.497128 0.000000 4.484038 5.708075 1.537398 3.938738 3.939937 2.661184 2.659479 5.084663 5.244892 4.315936 2.996797 6.044629 6.294105 4.888997 4.305112 5.235657 5.080083 2.988741 6.041515 4.873759 6.283669 0.000000 6.621852 7.836139 3.719508 5.859661 6.152835 4.855639 4.468570 7.262762 7.285522 6.187626 4.925348 8.241170 8.282452 6.510744 5.311575 6.545552 6.771858 4.165225 7.818443 5.448745 7.461049 2.228852 0.000000 6.623977 7.838301 3.720277 6.152893 5.863307 4.470645 4.855750 6.781228 6.560980 5.327536 4.173214 7.827278 7.479589 5.471608 6.175246 7.274405 7.257916 4.919067 8.237623 6.491550 8.268630 2.229926 1.366413 0.000000 7.534502 8.734673 4.690384 6.649708 7.166723 5.903540 5.246229 8.311452 8.363696 7.268014 6.009124 9.271135 9.361704 7.569224 5.699285 7.021174 7.426542 4.703239 8.498730 5.629201 7.846138 3.256841 1.085177 2.229794 0.000000 7.540469 8.740996 4.692888 7.169409 6.657607 5.251390 5.905315 7.441716 7.043150 5.720970 4.714375 8.513995 7.872393 5.658838 7.256147 8.353755 8.308887 6.003593 9.270373 7.549472 9.348647 3.259039 2.228810 1.085274 2.775221 0.000000 5.391874 6.594284 2.577503 5.101808 4.530164 3.122969 3.926937 5.419791 5.227615 4.040512 2.829823 6.470875 6.177948 4.320195 5.642370 6.561234 6.325811 4.329840 7.236116 6.173340 7.614591 1.345403 2.197778 1.374477 3.265277 2.165791 0.000000 5.229559 6.376383 2.752139 5.230631 4.136319 2.746844 4.253317 4.805974 4.412881 3.134922 2.051329 5.889346 5.298598 3.311573 6.227318 6.987704 6.553424 4.921934 7.365227 6.877453 8.067615 2.034054 3.215266 2.206610 4.268486 2.667764 1.030572 0.000000 5.390369 6.592895 2.578014 4.527968 5.101751 3.927632 3.122292 6.329114 6.569614 5.652233 4.336257 7.237768 7.624561 6.188434 4.027711 5.215792 5.412951 2.823210 6.464652 4.301907 6.164074 1.344247 1.372707 2.196987 2.162462 3.264074 2.152894 3.111576 0.000000 5.230558 6.377291 2.758032 4.136754 5.233691 4.258351 2.750609 6.558763 6.997796 6.239086 4.931797 7.368313 8.078783 6.893769 3.122307 4.401438 4.800333 2.048280 5.883799 3.292264 5.284435 2.036396 2.202095 3.213941 2.658096 4.266162 3.113661 4.006492 1.031371 0.000000 4.254458 4.976909 3.764738 3.602851 4.578844 4.386198 3.330592 5.597601 6.286378 6.078407 5.239207 6.067225 7.203842 6.883465 3.780687 4.050047 3.965187 3.455616 4.622713 4.345529 4.760182 4.214774 5.255898 5.648876 5.808900 6.521282 5.066448 5.393098 4.353916 4.065338 0.000000 5.124040 6.026248 3.761234 4.398413 5.167353 4.586959 3.680501 6.223758 6.684234 6.183132 5.204910 6.873634 7.631212 6.843293 4.163914 4.831767 4.932851 3.579340 5.743988 4.531542 5.589532 3.670855 4.203057 4.648345 4.657689 5.456322 4.346253 4.830587 3.565452 3.429622 1.393736 0.000000 5.406536 6.385725 3.677714 4.960784 5.053322 4.249336 4.144455 5.950729 6.123747 5.428674 4.505952 6.734050 7.019027 5.918438 5.174070 5.883562 5.785667 4.312171 6.585847 5.619749 6.748400 3.314630 3.785366 3.852037 4.374326 4.498655 3.566747 3.923629 3.456724 3.725113 2.427094 1.395075 0.000000 4.876085 5.776961 3.573279 4.826154 4.284895 3.612514 4.265257 4.935275 4.983270 4.376304 3.694824 5.713474 5.795613 4.848117 5.749183 6.227817 5.813035 4.837384 6.471040 6.396516 7.148536 3.561748 4.577238 4.282589 5.354841 4.842092 3.638498 3.615682 4.169576 4.551365 2.792087 2.405267 1.394105 0.000000 3.944573 4.665175 3.569154 4.111245 3.539637 3.339874 3.964692 4.101783 4.417059 4.208304 3.726149 4.698612 5.201858 4.885984 5.482088 5.646797 5.018948 4.748073 5.500570 6.271859 6.525946 4.113753 5.557187 5.345792 6.381062 6.009847 4.465128 4.326304 4.858953 5.048218 2.419286 2.779746 2.419397 1.393624 0.000000 3.570364 4.183045 3.666400 3.430702 3.721213 3.775280 3.490036 4.508932 5.182781 5.157880 4.558201 4.918091 6.018444 5.983332 4.548694 4.552335 4.023346 4.101630 4.477116 5.323038 5.329376 4.410138 5.847054 5.943671 6.573861 6.753826 5.111654 5.167304 4.937382 4.835273 1.394643 2.404788 2.792052 2.410860 1.392867 0.000000 4.465717 5.046072 4.335391 3.608381 5.103255 5.071751 3.520496 6.173616 7.022358 6.925624 6.075275 6.518370 7.943648 7.796063 3.324866 3.426718 3.568817 3.398522 4.174517 3.791539 3.954210 4.882417 5.861242 6.428749 6.313541 7.355868 5.884071 6.279386 4.865690 4.358293 1.091333 2.165352 3.417809 3.883224 3.407019 2.158854 0.000000 6.312681 7.352306 4.210444 5.814301 5.854650 4.869565 4.827436 6.743736 6.769645 5.895555 4.927959 7.602164 7.650816 6.236223 5.773304 6.650816 6.664447 4.844041 7.528519 6.085753 7.512096 3.442261 3.277572 3.316958 3.728453 3.806768 3.413231 3.891333 3.356318 3.786597 3.417158 2.165423 1.091865 2.160682 3.409051 3.883882 4.321071 0.000000 5.489657 6.394309 4.042192 5.608668 4.634662 3.841800 5.009181 5.077115 4.820655 4.041365 3.519405 5.930397 5.530492 4.278620 6.671801 7.188336 6.707857 5.656851 7.351111 7.324718 8.146254 3.849250 4.738931 4.141631 5.550418 4.483809 3.535058 3.306605 4.570029 5.144582 3.883908 3.394524 2.152898 1.091928 2.158561 3.401607 4.974934 2.481552 0.000000 3.927141 4.485088 4.030160 4.472503 3.320704 3.366496 4.541905 3.505714 3.701322 3.704267 3.572440 4.032961 4.346770 4.350971 6.253686 6.269429 5.439763 5.515774 5.766203 7.126203 7.149289 4.726411 6.336432 5.949296 7.229969 6.534296 4.941442 4.579559 5.652900 5.910840 3.407660 3.871285 3.408207 2.159000 1.091748 2.157560 4.306436 4.309650 2.488646 0.000000 3.227576 3.537645 4.185035 3.293852 3.660928 4.109285 3.784365 4.309972 5.182239 5.443562 5.009592 4.478765 5.940417 6.345216 4.731971 4.401674 3.677238 4.496035 3.875727 5.579916 5.077315 5.183153 6.787011 6.889293 7.532547 7.724696 5.957542 5.937288 5.773845 5.584494 2.151992 3.393015 3.883974 3.402663 2.159321 1.092069 2.476665 4.975746 4.306375 2.488824 0.000000 6.673856 7.584972 5.036950 5.600787 6.900619 6.220785 4.696767 8.094872 8.598870 7.997567 6.875143 8.747370 9.594677 8.626007 4.226614 5.200612 5.818981 3.948642 6.727036 4.055305 5.729083 4.584362 4.219717 5.146261 4.175364 5.926525 5.315410 6.082321 3.821911 3.393446 3.047526 2.108824 3.047729 4.359705 4.888501 4.360008 3.122858 3.119944 5.199319 5.979908 5.198202 0.000000 C20H15BIN4O(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 449.9556699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,11,18,29,27,2;35,34,36,33,31,32,42/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(16,17)(18,19);(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.2,17.2,20.1;1.3,2.3,3.3,4.3,5.3,6.3/rA:42nC3O1BC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHC3C3C3C3C3C3HHHHHI/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s24;s27;s22s23;s29;;s31;s32;s33;s34;s31s35;s31;s33;s34;s35;s36;s32;/rC:2.9284,1.795,-.1505;3.6322,2.7108,.2588;1.2204,-.4166,-1.1087;1.6043,2.0735,-.7704;3.3629,.3784,.0027;2.567,-.7069,-.4419;.7636,1.0375,-1.2466;4.5748,.1128,.6508;4.9594,-1.2037,.8496;4.1067,-2.2212,.3925;2.9604,-1.9976,-.2267;5.1813,.9554,.9909;5.8947,-1.4567,1.3514;4.3829,-3.2709,.5476;-.8786,2.5724,-1.7971;-.1056,3.657,-1.3512;1.1536,3.3975,-.8345;-.4714,1.3163,-1.7571;1.8058,4.191,-.4624;-1.8827,2.7482,-2.2002;-.4994,4.6727,-1.4137;.2534,-1.5656,-1.4378;-1.6072,-2.6871,-1.9358;-.6702,-3.5934,-1.5262;-2.6342,-2.8303,-2.2557;-.729,-4.6731,-1.4335;.4664,-2.8782,-1.233;1.3839,-3.1518,-.8519;-1.0101,-1.4522,-1.8823;-1.3715,-.5005,-2.0477;-.847,1.0619,1.6686;-1.6076,-.0603,1.3454;-1.12,-1.3478,1.5711;.1508,-1.506,2.122;.9224,-.3922,2.4479;.4206,.8875,2.2233;-1.2236,2.067,1.4709;-1.7175,-2.2226,1.3069;.5461,-2.5112,2.282;1.926,-.5218,2.8578;1.0277,1.7645,2.4579;-3.518,.1902,.4882; 0.2446841 0.1277624 0.1086274 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 53. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 492 492 492 492 492 MxSgAt= 42 MxSgA2= 42. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 53. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 492 492 492 492 492 MxSgAt= 42 MxSgA2= 42. 1 0.7673 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 C O B C C C C C C C N H H H C C C N H H H C C C H H N H N H C C C C C C H H H H H I 13 17 11 13 13 13 13 13 13 13 14 1 1 1 13 13 13 14 1 1 1 13 13 13 1 1 14 1 14 1 13 13 13 13 13 13 1 1 1 1 1 127 -0.01271 0.03153 0.05456 0.01264 0.01240 -0.02470 -0.02568 -0.01033 0.01158 -0.01030 0.01368 0.00049 -0.00090 0.00051 -0.01067 0.01196 -0.01052 0.01428 0.00050 0.00053 -0.00094 0.02209 0.00336 0.00199 -0.00055 -0.00056 0.07256 0.00075 0.08646 0.00103 -0.00062 0.00138 -0.00071 0.00209 -0.00117 0.00143 0.00003 0.00042 -0.00026 0.00009 -0.00010 -0.00000 -14.28581 -19.11323 78.26280 14.21387 13.94438 -27.76593 -28.86443 -11.61214 13.02085 -11.57504 4.42064 2.19476 -4.03784 2.29583 -11.99380 13.44455 -11.83090 4.61373 2.21416 2.35869 -4.18827 24.83737 3.77430 2.23438 -2.47527 -2.48850 23.44576 3.34247 27.93606 4.61553 -0.69546 1.55541 -0.79639 2.35042 -1.31233 1.61101 0.14951 1.85655 -1.14610 0.39494 -0.43521 -0.00005 -5.09753 -6.82007 27.92611 5.07186 4.97570 -9.90757 -10.29955 -4.14350 4.64616 -4.13026 1.57740 0.78314 -1.44080 0.81921 -4.27968 4.79735 -4.22156 1.64629 0.79007 0.84164 -1.49448 8.86259 1.34676 0.79728 -0.88324 -0.88796 8.36603 1.19268 9.96828 1.64694 -0.24816 0.55501 -0.28417 0.83869 -0.46827 0.57485 0.05335 0.66246 -0.40896 0.14092 -0.15530 -0.00002 -4.76523 -6.37549 26.10566 4.74124 4.65135 -9.26172 -9.62814 -3.87339 4.34329 -3.86102 1.47457 0.73209 -1.34688 0.76581 -4.00070 4.48462 -3.94636 1.53897 0.73856 0.78677 -1.39706 8.28485 1.25897 0.74531 -0.82566 -0.83008 7.82066 1.11493 9.31847 1.53958 -0.23198 0.51883 -0.26565 0.78402 -0.43775 0.53737 0.04987 0.61928 -0.38230 0.13174 -0.14517 -0.00002 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 0.000726 -0.085371 -0.067943 -0.012196 -0.020378 0.009087 0.012164 0.011737 -0.020427 0.011116 -0.022879 0.001520 -0.000737 -0.000944 0.009624 -0.011078 0.008609 -0.014780 0.002308 0.001628 0.004046 -0.063475 -0.004755 -0.010410 -0.001875 0.000238 -0.119281 0.017333 -0.084430 0.011752 0.000511 -0.001541 0.000986 -0.006031 0.000134 -0.003735 -0.000207 -0.000669 -0.003455 -0.001114 -0.000976 0.000872 0.014973 -0.167700 -0.081110 -0.037235 -0.035380 0.022541 0.022535 0.017550 -0.031012 0.023071 -0.044091 -0.000228 0.001184 0.002591 0.018411 -0.035140 0.017399 -0.051094 -0.001504 -0.001152 -0.004769 -0.047829 0.015545 0.013288 0.005575 0.000718 -0.061919 -0.006390 -0.055914 -0.011899 0.001288 -0.002773 0.001187 -0.002575 0.002326 -0.003128 0.000079 -0.001596 -0.000400 0.000583 0.000748 -0.000651 -0.015699 0.253071 0.149053 0.049432 0.055758 -0.031627 -0.034698 -0.029288 0.051439 -0.034187 0.066971 -0.001292 -0.000447 -0.001648 -0.028034 0.046218 -0.026008 0.065873 -0.000805 -0.000475 0.000723 0.111303 -0.010791 -0.002878 -0.003700 -0.000956 0.181199 -0.010943 0.140344 0.000147 -0.001799 0.004314 -0.002174 0.008605 -0.002460 0.006862 0.000129 0.002265 0.003855 0.000531 0.000228 -0.000221 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 0.004585 -0.004825 -0.012132 0.004834 0.002419 0.002358 0.002123 -0.001536 -0.003235 -0.002835 0.002640 -0.002344 -0.004565 -0.001875 0.001008 0.001120 -0.001387 0.006263 -0.001139 0.001640 0.000934 0.066678 0.019143 0.017623 -0.002335 0.004010 0.093310 -0.014258 0.115091 -0.004617 0.000879 0.000687 0.001331 0.002510 0.000357 0.000043 0.000506 0.001491 0.001687 -0.000317 -0.000132 0.000641 -0.008901 0.187173 0.077719 0.045751 0.041398 -0.021941 -0.023267 -0.019743 0.031984 -0.019858 0.050589 -0.001461 0.000017 -0.000024 -0.027583 0.038915 -0.023750 0.058446 -0.002184 -0.001948 -0.002331 0.117275 0.014799 0.008069 0.001332 -0.003571 0.155526 0.002356 0.185997 -0.015690 -0.000132 0.004335 0.001487 -0.002605 -0.001118 0.003394 0.000557 0.005496 0.000074 -0.000530 0.000166 0.000809 -0.002120 -0.011409 -0.046015 0.006231 0.007215 0.005797 -0.000544 0.000634 -0.002376 0.000393 0.014058 0.000791 0.001711 0.000472 -0.003185 0.000436 -0.000288 0.011467 0.000481 -0.000857 -0.000425 0.136018 0.020556 0.023132 -0.001980 -0.002255 0.215709 0.002066 0.207786 0.005727 0.001744 -0.000351 0.003158 -0.002296 0.002802 0.000498 0.000599 0.001940 0.004961 0.001138 0.000904 0.000171 0.4006 0.0031 0.9162 0.8491 -0.3771 -0.37 0.3444 0.9262 -0.1537 -0.0196 0.0026 0.017 -2.63 0.345 2.285 -0.938 0.123 0.815 -0.877 0.115 0.762 1 C 13 0.8471 -0.3654 -0.3859 0.3434 0.9305 -0.1274 0.4057 -0.0246 0.9137 -0.1686 -0.1679 0.3365 12.197 12.15 -24.348 4.352 4.336 -8.688 4.069 4.053 -8.121 2 O 17 0.8117 -0.4691 -0.348 0.5015 0.8651 0.0035 0.2994 -0.1774 0.9375 -0.0943 -0.0883 0.1826 -16.137 -15.123 31.261 -5.758 -5.396 11.155 -5.383 -5.045 10.427 3 B 11 -0.5031 0.8403 0.2019 0.7257 0.5376 -0.4294 0.4694 0.0695 0.8803 -0.0386 -0.0357 0.0743 -5.184 -4.789 9.973 -1.85 -1.709 3.559 -1.729 -1.597 3.327 4 C 13 0.8834 0.2357 -0.4051 -0.2432 0.9694 0.0336 0.4006 0.0688 0.9137 -0.0387 -0.0357 0.0745 -5.195 -4.796 9.991 -1.854 -1.711 3.565 -1.733 -1.6 3.333 5 C 13 0.3978 -0.0968 0.9124 0.9174 0.0345 -0.3964 0.0069 0.9947 0.1025 -0.0418 0.0187 0.0232 -5.61 2.503 3.107 -2.002 0.893 1.109 -1.871 0.835 1.036 6 C 13 0.3812 -0.0046 0.9245 0.7082 -0.6413 -0.2952 0.5942 0.7673 -0.2412 -0.0443 0.0199 0.0243 -5.943 2.676 3.267 -2.121 0.955 1.166 -1.982 0.893 1.09 7 C 13 0.3738 -3.0E-4 0.9275 0.4438 0.8781 -0.1786 0.8144 -0.4784 -0.3284 -0.0372 0.0166 0.0206 -4.998 2.234 2.764 -1.783 0.797 0.986 -1.667 0.745 0.922 8 C 13 0.7663 0.583 -0.2701 -0.5347 0.8117 0.2349 0.3562 -0.0356 0.9337 -0.0342 -0.0296 0.0637 -4.584 -3.968 8.552 -1.636 -1.416 3.052 -1.529 -1.324 2.853 9 C 13 0.3526 0.0098 0.9357 0.8424 0.4321 -0.3219 -0.4074 0.9018 0.1441 -0.0417 0.0173 0.0244 -5.591 2.315 3.276 -1.995 0.826 1.169 -1.865 0.772 1.093 10 C 13 0.6207 0.6987 -0.3557 -0.6711 0.708 0.2198 0.4054 0.1024 0.9084 -0.0489 -0.0422 0.0911 -1.886 -1.629 3.515 -0.673 -0.581 1.254 -0.629 -0.543 1.172 11 N 14 0.5854 0.4748 0.6572 0.2008 0.7004 -0.6849 0.7855 -0.5328 -0.3147 -0.002 -0.0017 0.0037 -1.079 -0.893 1.971 -0.385 -0.319 0.703 -0.36 -0.298 0.658 12 H 1 0.7278 0.6359 -0.2568 0.3456 -0.0167 0.9382 -0.5924 0.7716 0.2319 -0.0047 -5.0E-4 0.0052 -2.524 -0.251 2.776 -0.901 -0.09 0.99 -0.842 -0.084 0.926 13 H 1 0.6902 0.3553 -0.6304 0.6082 0.1873 0.7714 -0.3922 0.9158 0.0868 -0.0019 -0.0016 0.0034 -1.007 -0.828 1.835 -0.359 -0.295 0.655 -0.336 -0.276 0.612 14 H 1 0.4655 0.0384 0.8842 -0.3186 0.9394 0.1269 0.8257 0.3408 -0.4495 -0.0427 0.0176 0.0251 -5.729 2.367 3.362 -2.044 0.845 1.2 -1.911 0.79 1.121 15 C 13 -0.1594 0.9847 0.0708 0.8781 0.1742 -0.4457 0.4512 0.0089 0.8924 -0.0353 -0.0306 0.0659 -4.736 -4.108 8.843 -1.69 -1.466 3.155 -1.58 -1.37 2.95 16 C 13 0.4535 0.016 0.8911 0.2539 0.9561 -0.1463 0.8543 -0.2926 -0.4296 -0.0381 0.0171 0.021 -5.113 2.291 2.822 -1.824 0.818 1.007 -1.705 0.764 0.941 17 C 13 -0.0686 0.9957 -0.0627 0.8836 0.0314 -0.4671 0.4631 0.0875 0.882 -0.0522 -0.0455 0.0977 -2.015 -1.753 3.768 -0.719 -0.626 1.345 -0.672 -0.585 1.257 18 N 14 0.4979 0.4393 0.7478 -0.0227 0.8685 -0.4951 0.8669 -0.2295 -0.4424 -0.002 -0.0017 0.0037 -1.054 -0.933 1.987 -0.376 -0.333 0.709 -0.352 -0.311 0.663 19 H 1 -0.4646 0.8793 -0.105 0.3747 0.3026 0.8764 0.8023 0.3678 -0.4701 -0.0019 -0.0016 0.0035 -1.023 -0.856 1.879 -0.365 -0.305 0.67 -0.341 -0.286 0.627 20 H 1 -0.0947 0.9948 0.0361 0.4562 0.0112 0.8898 0.8848 0.1007 -0.4549 -0.0049 -5.0E-4 0.0054 -2.6 -0.255 2.855 -0.928 -0.091 1.019 -0.867 -0.085 0.952 21 H 1 0.1077 0.8385 -0.5341 0.9112 -0.2981 -0.2844 0.3977 0.456 0.7962 -0.1259 -0.1219 0.2478 -16.894 -16.356 33.251 -6.028 -5.836 11.865 -5.635 -5.456 11.091 22 C 13 -0.4267 -0.2466 0.8701 0.7695 -0.6045 0.2061 0.4752 0.7575 0.4477 -0.0239 -0.0158 0.0397 -3.203 -2.124 5.328 -1.143 -0.758 1.901 -1.069 -0.709 1.777 23 C 13 -0.5964 0.6257 -0.5027 0.7113 0.1219 -0.6922 0.3719 0.7705 0.5178 -0.0221 -0.0152 0.0373 -2.965 -2.045 5.01 -1.058 -0.73 1.788 -0.989 -0.682 1.671 24 C 13 -0.3906 0.0898 0.9162 0.875 0.3456 0.3391 -0.2862 0.9341 -0.2136 -0.0045 -0.0023 0.0067 -2.381 -1.217 3.598 -0.85 -0.434 1.284 -0.794 -0.406 1.2 25 H 1 0.7487 -0.3429 0.5674 -0.1808 0.7178 0.6723 0.6378 0.6059 -0.4754 -0.0043 -0.0024 0.0067 -2.297 -1.283 3.58 -0.82 -0.458 1.277 -0.766 -0.428 1.194 26 H 1 -0.4919 0.8262 -0.2746 0.7993 0.3035 -0.5186 0.3451 0.4746 0.8097 -0.1892 -0.1848 0.3739 -7.296 -7.126 14.422 -2.603 -2.543 5.146 -2.434 -2.377 4.811 27 N 14 0.3644 0.7338 -0.5733 0.2153 0.5326 0.8185 0.906 -0.4217 0.0361 -0.0151 -0.009 0.0241 -8.048 -4.791 12.839 -2.872 -1.709 4.581 -2.685 -1.598 4.283 28 H 1 0.6937 0.3658 -0.6205 -0.5785 0.7962 -0.1773 0.4291 0.4819 0.7639 -0.1901 -0.1858 0.3759 -7.332 -7.166 14.498 -2.616 -2.557 5.173 -2.446 -2.39 4.836 29 N 14 -0.1441 0.8581 -0.4928 0.5844 0.4757 0.6574 0.7986 -0.1933 -0.57 -0.0144 -0.0097 0.0241 -7.69 -5.152 12.842 -2.744 -1.838 4.582 -2.565 -1.719 4.284 30 H 1 0.1558 -0.4279 0.8903 0.9121 -0.2837 -0.2959 0.3792 0.8581 0.3461 -0.0027 3.0E-4 0.0024 -0.357 0.038 0.319 -0.127 0.013 0.114 -0.119 0.013 0.107 31 C 13 0.7829 -0.4632 -0.4154 0.4085 0.8862 -0.2185 0.4693 0.0013 0.883 -0.0042 -0.0024 0.0066 -0.57 -0.318 0.888 -0.203 -0.113 0.317 -0.19 -0.106 0.296 32 C 13 -0.1263 -0.482 0.867 0.8495 -0.5038 -0.1564 0.5122 0.7168 0.4731 -0.0041 -1.0E-4 0.0042 -0.556 -0.01 0.567 -0.199 -0.004 0.202 -0.186 -0.003 0.189 33 C 13 0.9019 -0.4234 0.0857 0.3861 0.879 0.2798 -0.1938 -0.2192 0.9562 -0.0075 -0.0022 0.0097 -1.001 -0.296 1.296 -0.357 -0.105 0.463 -0.334 -0.099 0.432 34 C 13 0.267 -0.399 0.8772 0.9627 0.1515 -0.2241 -0.0435 0.9043 0.4246 -0.0041 5.0E-4 0.0036 -0.547 0.06 0.486 -0.195 0.022 0.174 -0.182 0.02 0.162 35 C 13 0.9572 0.0617 -0.2828 -0.0718 0.9971 -0.0252 0.2804 0.0445 0.9588 -0.0047 -0.0031 0.0079 -0.635 -0.422 1.057 -0.227 -0.151 0.377 -0.212 -0.141 0.353 36 C 13 0.8643 -0.2438 -0.44 -0.1091 0.7631 -0.637 0.4911 0.5985 0.633 -6.0E-4 -5.0E-4 0.0011 -0.338 -0.264 0.602 -0.121 -0.094 0.215 -0.113 -0.088 0.201 37 H 1 0.7931 -1.0E-4 -0.6091 -0.1637 0.9632 -0.2133 0.5867 0.2689 0.7639 -0.0049 -0.0023 0.0072 -2.61 -1.216 3.826 -0.931 -0.434 1.365 -0.87 -0.406 1.276 38 H 1 0.6884 -0.6348 0.351 0.7193 0.5347 -0.4435 0.0938 0.5578 0.8247 -0.005 -0.0022 0.0072 -2.653 -1.198 3.851 -0.947 -0.428 1.374 -0.885 -0.4 1.285 39 H 1 0.9568 -0.0146 0.2905 0.2111 0.7222 -0.6587 -0.2002 0.6915 0.6941 -0.0013 -5.0E-4 0.0018 -0.678 -0.292 0.97 -0.242 -0.104 0.346 -0.226 -0.097 0.324 40 H 1 0.9425 0.2028 -0.2655 0.3341 -0.5662 0.7535 -0.0025 0.7989 0.6014 -0.0011 -4.0E-4 0.0014 -0.561 -0.202 0.762 -0.2 -0.072 0.272 -0.187 -0.067 0.254 41 H 1 9.39559936e-01 1.25719848e+00 -3.90439200e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 6 8 5 6 6 6 6 6 6 6 7 1 1 1 6 6 6 7 1 1 1 6 6 6 1 1 7 1 7 1 6 6 6 6 6 6 1 1 1 1 1 53 -0.012657635 0.031895753 -0.005968105 0.012261514 -0.031498612 0.006029688 0.015799830 -0.032972245 -0.009520348 -0.009619717 -0.019428972 -0.003320988 0.018668987 -0.005995429 0.009712611 0.015158880 0.019239482 0.002635901 -0.021739969 0.002896497 -0.011390321 -0.005893754 -0.001934555 -0.002125825 0.004851467 -0.006492459 0.001993596 0.003193460 0.011925414 0.000528815 -0.014013624 -0.007807643 -0.004452427 0.000903363 -0.000009854 0.000332185 -0.000613016 -0.000954660 -0.000316263 -0.001457650 0.000211963 -0.000510452 -0.010049641 0.005954423 -0.005407097 0.000946856 -0.008366706 0.000639222 0.005181246 0.003592890 0.002693241 0.014332066 0.006092352 0.008514893 -0.000599326 -0.000708592 -0.000258452 0.000774433 0.001259619 0.000425128 0.001060562 -0.000148991 0.000467480 -0.047829030 0.052710172 0.096491559 -0.016303317 0.005219658 0.010966186 0.001526273 0.012180464 0.016366334 0.000630177 0.000519021 -0.001365229 -0.000084947 0.000269593 -0.001616034 -0.011743572 -0.037145176 -0.069186206 0.004007879 0.007293335 0.003929286 0.063843192 -0.011310839 -0.047484598 -0.009639654 0.002407280 -0.000751351 0.000290360 -0.000881740 -0.000582355 -0.003615529 -0.000545639 -0.001644104 0.002393054 -0.000250238 -0.000211412 -0.000651673 -0.001739383 -0.002294249 0.001412447 0.001104024 -0.000367562 0.001087050 -0.000064944 -0.000242221 -0.000082023 -0.000130225 0.000580534 -0.002061307 0.002064873 0.002373576 0.000049299 0.002134828 0.003149565 -0.000398419 -0.000077067 0.000493273 -0.000054940 -0.000491263 0.000449225 0.000736348 -0.000016409 0.000243299 0.096491559 0.016755842 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l716.exe) 0.7696 0.7732 0.7759 0.7783 0.7781 0.7773 0.7780 0.7784 0.7782 0.7786 0.7784 0.7784 0.7785 0.7788 0.7788 0.7789 0.7790 0.7791 0.7792 0.7792 0.7793 0.7794 0.7793 0.7792 0.7794 0.7794 0.7795 0.7795 0.7795 0.7795 0.7795 0.7795 0.7795 0.7794 0.7791 0.7795 0.7794 0.7795 0.7797 0.7799 0.7800 0.7797 0.7796 0.7795 0.7795 0.7796 0.7796 0.7796 0.7796 0.7796 0.7796 0.7796 0.7796 0.7796 0.7795 0.7795 0.7795 open 1 1 1 -1386.92666294664 -1386.92666410657 -0.000001159937 -1386.92666419646 -0.000000089882 -1386.92666420306 -0.000000006608 -1386.92666420640 -0.000000003336 -1386.92666420651 -0.000000000115 -1386.92666420655 -0.000000000040 -1386.92666420656 -0.000000000007 -1386.92666421 8 0.7795 1.191338327789e+03 -8.601191960433e+03 3.301937964205e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572365918 LenY= 1572122376 Requested convergence on RMS density matrix=1.00D-08 within 32 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.7795 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l716.exe) 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 C O B C C C C C C C N H H H C C C N H H H C C C H H N H N H C C C C C C H H H H H I 13 17 11 13 13 13 13 13 13 13 14 1 1 1 13 13 13 14 1 1 1 13 13 13 1 1 14 1 14 1 13 13 13 13 13 13 1 1 1 1 1 127 -0.01768 0.05519 0.04202 0.01861 0.01863 -0.03263 -0.03313 -0.01763 0.02028 -0.01689 0.02356 0.00082 -0.00162 0.00077 -0.01681 0.02005 -0.01755 0.02354 0.00082 0.00077 -0.00160 -0.03275 -0.00139 -0.00067 -0.00030 -0.00035 0.02361 -0.00124 0.02383 -0.00123 0.00041 -0.00026 0.00126 0.00054 0.00091 0.00016 -0.00002 -0.00006 -0.00001 -0.00003 0.00007 0.00000 -19.87973 -33.45598 60.27350 20.92480 20.94536 -36.67884 -37.24155 -19.82194 22.79475 -18.99061 7.61326 3.68275 -7.23794 3.45389 -18.89703 22.54505 -19.73501 7.60664 3.67502 3.45244 -7.14997 -36.82164 -1.56023 -0.74986 -1.32073 -1.54360 7.62744 -5.53709 7.69866 -5.47611 0.46511 -0.28927 1.42200 0.60286 1.02332 0.18161 -0.08388 -0.25429 -0.05764 -0.14793 0.29110 0.00022 -7.09358 -11.93792 21.50708 7.46649 7.47383 -13.08792 -13.28871 -7.07296 8.13373 -6.77632 2.71660 1.31410 -2.58268 1.23243 -6.74293 8.04463 -7.04194 2.71424 1.31134 1.23192 -2.55129 -13.13888 -0.55673 -0.26757 -0.47127 -0.55079 2.72166 -1.97577 2.74708 -1.95401 0.16596 -0.10322 0.50741 0.21512 0.36515 0.06480 -0.02993 -0.09074 -0.02057 -0.05278 0.10387 0.00008 -6.63116 -11.15971 20.10507 6.97976 6.98662 -12.23475 -12.42244 -6.61189 7.60351 -6.33459 2.53951 1.22843 -2.41432 1.15209 -6.30337 7.52022 -6.58289 2.53730 1.22586 1.15161 -2.38497 -12.28238 -0.52044 -0.25013 -0.44055 -0.51489 2.54424 -1.84697 2.56800 -1.82663 0.15515 -0.09649 0.47433 0.20109 0.34134 0.06058 -0.02798 -0.08482 -0.01923 -0.04934 0.09710 0.00007 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 0.000433 -0.119313 -0.063430 -0.027608 -0.018476 0.006353 0.006687 0.010633 -0.015666 0.013889 -0.029712 0.002035 0.005835 0.002867 0.013931 -0.032755 0.017202 -0.046119 0.000649 -0.002097 -0.004483 0.003827 -0.005651 -0.006824 0.002797 -0.001974 -0.058772 0.004738 -0.063721 -0.001693 -0.000057 0.001731 -0.000296 -0.001933 -0.002527 -0.001327 0.000205 0.000342 -0.001285 -0.001245 -0.001015 0.001272 0.004914 -0.289796 -0.126082 -0.057111 -0.061719 0.011067 0.010917 0.030871 -0.060196 0.027554 -0.083116 -0.000220 -0.007133 -0.002090 0.035519 -0.052099 0.030445 -0.081384 0.002069 0.004220 0.006143 0.010378 -0.008267 -0.009142 -0.001602 0.003585 -0.079836 -0.001734 -0.087649 0.005688 -0.001216 -0.001286 -0.003286 -0.001508 -0.002709 -0.000802 -0.000185 -0.000644 -0.000261 -0.001424 -0.000958 -0.000902 -0.005347 0.409109 0.189512 0.084719 0.080195 -0.017420 -0.017604 -0.041504 0.075862 -0.041444 0.112828 -0.001815 0.001297 -0.000777 -0.049450 0.084854 -0.047648 0.127503 -0.002718 -0.002123 -0.001660 -0.014204 0.013919 0.015967 -0.001195 -0.001612 0.138609 -0.003004 0.151370 -0.003995 0.001273 -0.000445 0.003582 0.003441 0.005236 0.002129 -0.000019 0.000302 0.001547 0.002669 0.001973 -0.000370 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 0.010404 0.022251 -0.000461 0.007971 0.003995 -0.001535 0.000645 -0.003832 -0.001574 0.000206 -0.005289 -0.004124 -0.003803 0.000253 -0.005056 0.004265 -0.007340 0.004530 -0.004648 -0.000748 -0.005720 0.003451 0.001398 0.000650 0.001246 0.000898 -0.008650 -0.003263 -0.003163 -0.004115 -0.000882 -0.000339 0.001149 0.001159 0.000521 0.000055 -0.000951 0.001362 0.000415 0.000186 0.000107 -0.000232 0.003422 -0.348757 -0.140558 -0.070874 -0.075346 0.008386 0.014934 0.040182 -0.070478 0.042370 -0.100147 0.002620 0.003356 0.002699 0.032442 -0.061337 0.034155 -0.088203 0.001251 0.000030 -0.002297 0.011619 -0.007140 -0.010341 0.001301 -0.000242 -0.083299 0.004310 -0.070805 0.001806 -0.002541 -0.002258 -0.004672 -0.001864 -0.000812 -0.001263 -0.001473 -0.001614 -0.000610 0.000337 -0.001252 -0.000976 0.004432 -0.047323 0.002363 -0.016303 -0.006294 0.000122 -0.003874 -0.001212 -0.000807 -0.000458 0.003154 -0.002101 -0.002052 0.000193 0.008764 -0.016359 0.006905 -0.019527 -0.001638 0.000318 -0.001810 0.002874 0.001890 0.003482 0.000412 -0.000214 0.030300 -0.001056 0.020267 -0.001649 0.001314 0.000396 -0.000959 -0.002657 -0.000173 0.002038 0.000919 -0.000650 -0.001727 -0.000645 0.001340 0.000114 0.7562 -0.646 0.1045 -0.2509 -0.1386 0.958 0.6044 0.7507 0.2669 -0.008 -0.0069 0.0149 -1.071 -0.924 1.995 -0.382 -0.33 0.712 -0.357 -0.308 0.665 1 C 13 0.5735 0.7477 0.3348 0.6883 -0.6614 0.2979 -0.4442 -0.0596 0.8939 -0.2939 -0.2916 0.5856 21.268 21.103 -42.371 7.589 7.53 -15.119 7.094 7.039 -14.133 2 O 17 -0.6268 0.7255 -0.2841 0.6645 0.6882 0.2913 -0.4069 0.0062 0.9135 -0.1266 -0.1255 0.2521 -21.677 -21.492 43.169 -7.735 -7.669 15.404 -7.231 -7.169 14.4 3 B 11 0.9011 -0.0272 0.4327 -0.0196 0.9945 0.1032 -0.4331 -0.1015 0.8956 -0.0619 -0.059 0.1208 -8.303 -7.912 16.215 -2.963 -2.823 5.786 -2.77 -2.639 5.409 4 C 13 -0.1739 0.9836 -0.0486 0.8625 0.176 0.4745 -0.4752 -0.0406 0.8789 -0.0621 -0.0591 0.1212 -8.335 -7.932 16.267 -2.974 -2.83 5.804 -2.78 -2.646 5.426 5 C 13 -0.3032 -0.0187 0.9527 0.8461 0.4546 0.2782 -0.4383 0.8905 -0.1221 -0.0201 0.0083 0.0118 -2.696 1.112 1.584 -0.962 0.397 0.565 -0.899 0.371 0.528 6 C 13 -0.4246 0.1043 0.8994 0.3585 0.9315 0.0612 0.8314 -0.3484 0.4329 -0.0251 0.0109 0.0142 -3.369 1.464 1.905 -1.202 0.522 0.68 -1.124 0.488 0.635 7 C 13 -0.4776 -0.0081 0.8785 0.5537 0.7736 0.3082 0.6821 -0.6337 0.365 -0.0633 0.0276 0.0357 -8.5 3.71 4.79 -3.033 1.324 1.709 -2.835 1.237 1.598 8 C 13 0.2235 0.9671 0.1211 0.8499 -0.2542 0.4616 -0.4772 2.0E-4 0.8788 -0.0607 -0.0535 0.1141 -8.14 -7.175 15.315 -2.905 -2.56 5.465 -2.715 -2.393 5.109 9 C 13 -0.476 0.0054 0.8794 0.0061 1.0 -0.0029 0.8794 -0.0039 0.4761 -0.0644 0.0276 0.0368 -8.64 3.698 4.942 -3.083 1.319 1.763 -2.882 1.233 1.648 10 C 13 0.5426 0.7984 0.261 0.7038 -0.6017 0.3775 -0.4585 0.0211 0.8884 -0.0857 -0.0789 0.1646 -3.304 -3.043 6.348 -1.179 -1.086 2.265 -1.102 -1.015 2.117 11 N 14 0.4866 0.8243 0.2893 -0.4711 -0.0313 0.8815 0.7357 -0.5653 0.3731 -0.0034 -0.0031 0.0065 -1.81 -1.676 3.486 -0.646 -0.598 1.244 -0.604 -0.559 1.163 12 H 1 0.2296 0.9651 0.126 -0.4706 -0.0032 0.8824 0.852 -0.2619 0.4534 -0.0083 -5.0E-4 0.0088 -4.431 -0.259 4.69 -1.581 -0.092 1.674 -1.478 -0.086 1.564 13 H 1 -0.4182 -0.379 0.8255 -0.2182 0.9241 0.3137 0.8818 0.0489 0.4691 -0.0022 -0.0021 0.0043 -1.191 -1.112 2.303 -0.425 -0.397 0.822 -0.397 -0.371 0.768 14 H 1 -0.3874 -0.1003 0.9164 0.9072 0.1354 0.3983 -0.164 0.9857 0.0385 -0.0641 0.0274 0.0367 -8.605 3.679 4.925 -3.07 1.313 1.757 -2.87 1.227 1.643 15 C 13 0.8382 0.3736 0.3973 -0.3822 0.9221 -0.0607 -0.389 -0.101 0.9157 -0.0599 -0.0528 0.1127 -8.042 -7.084 15.126 -2.87 -2.528 5.397 -2.682 -2.363 5.045 16 C 13 -0.3966 -0.0983 0.9127 0.599 0.7257 0.3384 0.6957 -0.6809 0.2289 -0.0632 0.0276 0.0356 -8.485 3.705 4.78 -3.028 1.322 1.706 -2.83 1.236 1.595 17 C 13 0.6359 0.6995 0.3261 -0.6694 0.7102 -0.2181 -0.3841 -0.0796 0.9198 -0.0864 -0.0797 0.166 -3.331 -3.072 6.403 -1.189 -1.096 2.285 -1.111 -1.025 2.136 18 N 14 0.6129 0.6536 0.4441 -0.4717 -0.1483 0.8692 -0.634 0.7421 -0.2174 -0.0034 -0.0031 0.0065 -1.815 -1.663 3.479 -0.648 -0.594 1.241 -0.605 -0.555 1.16 19 H 1 0.8077 0.122 -0.5768 0.5782 0.0275 0.8154 -0.1154 0.9921 0.0483 -0.0022 -0.0021 0.0043 -1.191 -1.116 2.307 -0.425 -0.398 0.823 -0.397 -0.372 0.769 20 H 1 0.8337 0.3826 0.3983 -0.3949 -0.0912 0.9142 -0.3861 0.9194 -0.0751 -0.0082 -5.0E-4 0.0087 -4.378 -0.26 4.638 -1.562 -0.093 1.655 -1.46 -0.087 1.547 21 H 1 -0.4348 -0.0358 0.8998 0.679 -0.6694 0.3015 0.5915 0.742 0.3154 -0.0199 0.0056 0.0144 -2.675 0.749 1.926 -0.954 0.267 0.687 -0.892 0.25 0.642 22 C 13 -0.6279 0.7388 -0.245 0.7159 0.6716 0.1906 -0.3053 0.0557 0.9506 -0.0101 -0.0062 0.0163 -1.353 -0.837 2.19 -0.483 -0.299 0.782 -0.451 -0.279 0.731 23 C 13 0.7461 -0.5692 0.3454 0.5648 0.8158 0.1243 -0.3526 0.1023 0.9302 -0.0121 -0.0082 0.0203 -1.625 -1.095 2.72 -0.58 -0.391 0.971 -0.542 -0.365 0.907 24 C 13 -0.2058 0.9632 -0.1727 -0.3104 0.1031 0.945 0.9281 0.2481 0.2778 -0.0019 -0.0016 0.0035 -1.036 -0.842 1.878 -0.37 -0.3 0.67 -0.346 -0.281 0.626 25 H 1 0.931 -0.1322 0.3402 -0.3295 0.0967 0.9392 0.157 0.9865 -0.0465 -0.0022 -0.0015 0.0037 -1.168 -0.826 1.995 -0.417 -0.295 0.712 -0.39 -0.276 0.665 26 H 1 0.8699 -0.3357 0.3614 0.3576 0.9339 0.0067 -0.3397 0.1234 0.9324 -0.09 -0.0829 0.173 -3.473 -3.198 6.671 -1.239 -1.141 2.38 -1.158 -1.067 2.225 27 N 14 -0.4443 -0.1596 0.8815 0.2353 0.9287 0.2867 0.8644 -0.3348 0.375 -0.005 -0.0029 0.0079 -2.66 -1.54 4.2 -0.949 -0.55 1.499 -0.887 -0.514 1.401 28 H 1 -0.4027 0.8948 -0.1928 0.8697 0.4397 0.2242 -0.2854 0.0774 0.9553 -0.0906 -0.0836 0.1742 -3.494 -3.223 6.717 -1.247 -1.15 2.397 -1.165 -1.075 2.241 29 N 14 -0.5531 -0.0849 0.8288 0.7224 0.4466 0.5279 -0.4149 0.8907 -0.1857 -0.005 -0.0029 0.0079 -2.684 -1.557 4.241 -0.958 -0.555 1.513 -0.895 -0.519 1.415 30 H 1 0.7075 -0.2765 0.6504 0.407 0.9118 -0.0551 -0.5778 0.3037 0.7576 -0.002 -0.0017 0.0037 -0.275 -0.227 0.502 -0.098 -0.081 0.179 -0.092 -0.076 0.167 31 C 13 0.4913 -0.2621 0.8306 0.2309 0.9587 0.1659 0.8398 -0.1103 -0.5316 -0.0019 -0.0013 0.0032 -0.256 -0.174 0.43 -0.091 -0.062 0.153 -0.085 -0.058 0.143 32 C 13 -0.6171 0.7303 -0.2928 0.5582 0.6686 0.4913 -0.5546 -0.1397 0.8203 -0.0039 -0.003 0.0069 -0.52 -0.407 0.926 -0.185 -0.145 0.331 -0.173 -0.136 0.309 33 C 13 -0.6359 0.7605 0.131 0.7153 0.5172 0.47 -0.2897 -0.3926 0.8729 -0.0029 -0.0023 0.0053 -0.394 -0.311 0.705 -0.141 -0.111 0.252 -0.131 -0.104 0.235 34 C 13 -0.6681 0.7424 -0.0493 0.7367 0.6693 0.0965 -0.1047 -0.0281 0.9941 -0.0032 -0.0022 0.0053 -0.425 -0.29 0.715 -0.152 -0.103 0.255 -0.142 -0.097 0.238 35 C 13 -0.6141 0.6379 -0.4646 0.7555 0.6455 -0.1123 -0.2283 0.4199 0.8784 -0.0023 -0.0011 0.0034 -0.314 -0.147 0.46 -0.112 -0.052 0.164 -0.105 -0.049 0.154 36 C 13 0.6645 -0.0441 0.746 0.3792 0.8801 -0.2858 0.6439 -0.4728 -0.6015 -0.0014 -9.0E-4 0.0023 -0.739 -0.477 1.216 -0.264 -0.17 0.434 -0.247 -0.159 0.406 37 H 1 0.6828 -0.6507 0.3322 0.2555 0.6387 0.7258 0.6844 0.4107 -0.6024 -0.0017 -8.0E-4 0.0026 -0.929 -0.447 1.376 -0.331 -0.16 0.491 -0.31 -0.149 0.459 38 H 1 0.9404 -0.3401 -0.0047 0.2882 0.7896 0.5417 -0.1805 -0.5108 0.8405 -0.0014 -0.0013 0.0027 -0.764 -0.691 1.455 -0.273 -0.247 0.519 -0.255 -0.23 0.485 39 H 1 -0.5101 0.8441 0.1655 0.8568 0.5155 0.0115 0.0756 -0.1476 0.9862 -0.0017 -0.0011 0.0028 -0.887 -0.602 1.489 -0.317 -0.215 0.531 -0.296 -0.201 0.497 40 H 1 -0.6401 0.6412 -0.4233 0.713 0.7009 -0.0165 -0.2861 0.3124 0.9058 -0.002 -9.0E-4 0.0028 -1.041 -0.47 1.51 -0.371 -0.168 0.539 -0.347 -0.157 0.504 41 H 1 PT234888.500S 2024-09-26T01:23:41.000 -19.22232 -14.51775 -14.51605 -14.44410 -14.44101 -10.36746 -10.36631 -10.36229 -10.36139 -10.35006 -10.33832 -10.33556 -10.31702 -10.31449 -10.31283 -10.31241 -10.31144 -10.30983 -10.30878 -10.30867 -10.30709 -10.30484 -10.30332 -10.29775 -10.29661 -6.96258 -6.80440 -4.98516 -4.96985 -4.96962 -2.01917 -2.01431 -2.01409 -2.00108 -2.00106 -1.15722 -1.11066 -1.03255 -1.03073 -1.01520 -0.96406 -0.89990 -0.89171 -0.88545 -0.86549 -0.86279 -0.84892 -0.83937 -0.78203 -0.75522 -0.75326 -0.74032 -0.72744 -0.71724 -0.70434 -0.69337 -0.68405 -0.68303 -0.63636 -0.61286 -0.60992 -0.60746 -0.59161 -0.57654 -0.57138 -0.56140 -0.55724 -0.55259 -0.55230 -0.54486 -0.54259 -0.54108 -0.52008 -0.51255 -0.49991 -0.49311 -0.49265 -0.48544 -0.48464 -0.47608 -0.47410 -0.47226 -0.46124 -0.43794 -0.43727 -0.42844 -0.41553 -0.41124 -0.38390 -0.37665 -0.36788 -0.35858 -0.35064 -0.34418 -0.34195 -0.33930 -0.33680 -0.32547 -0.32055 -0.31037 -0.21037 -0.00082 0.04108 0.04253 0.04694 0.05145 0.05510 0.05894 0.08218 0.13079 0.13487 0.14867 0.15571 0.15939 0.17154 0.17250 0.17488 0.18728 0.19237 0.19689 0.20376 0.21606 0.21956 0.22236 0.22686 0.22744 0.22834 0.23667 0.24521 0.26312 0.26521 0.28290 0.29892 0.30299 0.30696 0.31131 0.32174 0.32686 0.34106 0.34347 0.35098 0.35589 0.36427 0.36592 0.37033 0.37224 0.37981 0.38752 0.40145 0.40397 0.40509 0.40904 0.41202 0.42380 0.44661 0.44719 0.45511 0.46888 0.47405 0.47494 0.47999 0.48148 0.48481 0.48690 0.49141 0.49216 0.49968 0.50159 0.50449 0.52288 0.53145 0.53593 0.54183 0.54351 0.54938 0.55131 0.55263 0.55649 0.56577 0.56721 0.57046 0.58772 0.59193 0.59538 0.60512 0.61988 0.62543 0.62700 0.63973 0.64538 0.65291 0.65889 0.66133 0.66678 0.67336 0.67798 0.68191 0.69906 0.70730 0.70859 0.71492 0.72249 0.72496 0.72781 0.73226 0.73514 0.74015 0.74534 0.75383 0.75793 0.76112 0.76925 0.77311 0.77629 0.78263 0.78705 0.79044 0.80146 0.80259 0.80674 0.81133 0.81703 0.81950 0.82531 0.82991 0.83280 0.84511 0.85185 0.85380 0.86388 0.86972 0.87112 0.88523 0.88681 0.89628 0.90853 0.91381 0.91757 0.93063 0.93450 0.94030 0.95996 0.96202 0.96589 0.99005 1.00377 1.01148 1.01830 1.02642 1.03178 1.04825 1.05884 1.06518 1.07310 1.08170 1.09687 1.11485 1.12594 1.13048 1.14592 1.14849 1.15835 1.17947 1.19221 1.20045 1.20629 1.22154 1.23060 1.24338 1.25815 1.26125 1.28425 1.29102 1.30017 1.30393 1.32025 1.32240 1.33148 1.33877 1.34249 1.34733 1.35051 1.35779 1.36248 1.36490 1.37327 1.37425 1.37914 1.39057 1.39579 1.40860 1.41503 1.42124 1.45000 1.45185 1.45889 1.46385 1.47475 1.49992 1.51439 1.54634 1.55550 1.58109 1.59319 1.60446 1.61694 1.62442 1.63395 1.67744 1.70113 1.73095 1.75209 1.75643 1.76793 1.77770 1.78660 1.78824 1.79747 1.80327 1.81078 1.82055 1.82235 1.82640 1.83707 1.84729 1.85017 1.85098 1.85258 1.85687 1.86072 1.86348 1.86861 1.86906 1.88750 1.89317 1.89567 1.90161 1.90559 1.91441 1.93040 1.94014 1.95028 1.95789 1.96433 1.97992 2.00323 2.00737 2.01263 2.01921 2.02516 2.03371 2.03667 2.04142 2.04390 2.05173 2.05486 2.07032 2.07176 2.08303 2.08983 2.10504 2.11199 2.12438 2.14308 2.14385 2.15235 2.15872 2.18481 2.19893 2.21846 2.22101 2.23162 2.23649 2.24622 2.26085 2.27800 2.28886 2.29788 2.29889 2.32974 2.33137 2.34758 2.35570 2.36005 2.37137 2.37594 2.38722 2.39490 2.40091 2.41609 2.41852 2.43628 2.43853 2.45227 2.45656 2.48042 2.48185 2.49407 2.51063 2.51735 2.52434 2.54944 2.55172 2.57952 2.58577 2.61073 2.62317 2.66522 2.67843 2.68370 2.69362 2.70240 2.70749 2.72451 2.72617 2.74482 2.75604 2.78168 2.80708 2.81568 2.81873 2.82222 2.82497 2.83298 2.83830 2.84228 2.86865 2.87140 2.89878 2.90045 2.90878 2.92368 2.93788 2.95085 2.95651 2.98953 2.99660 3.02495 3.05686 3.07248 3.10624 3.11741 3.12584 3.14741 3.19383 3.19576 3.20683 3.21794 3.24528 3.27379 3.28300 3.39119 3.49181 3.49423 3.49639 3.61825 3.67558 3.68257 3.72788 3.76478 3.76807 18.87368 18.99182 19.38544 56.59019 -19.21873 -14.51632 -14.51461 -14.44269 -14.43959 -10.36811 -10.36663 -10.36212 -10.36125 -10.35007 -10.33911 -10.33634 -10.31697 -10.31448 -10.31363 -10.31239 -10.31223 -10.30983 -10.30937 -10.30876 -10.30783 -10.30353 -10.30202 -10.29638 -10.29525 -6.96257 -6.80113 -4.98516 -4.96984 -4.96961 -2.01917 -2.01430 -2.01408 -2.00107 -2.00106 -1.15529 -1.10399 -1.03058 -1.02875 -1.01207 -0.96401 -0.89695 -0.89001 -0.88352 -0.86398 -0.86219 -0.84884 -0.83822 -0.78199 -0.75268 -0.75171 -0.73935 -0.72309 -0.71546 -0.70429 -0.69323 -0.68360 -0.68122 -0.63451 -0.61194 -0.60978 -0.60352 -0.59044 -0.57546 -0.56608 -0.56090 -0.55628 -0.55226 -0.54901 -0.54260 -0.54176 -0.54088 -0.51826 -0.50740 -0.49761 -0.49182 -0.49054 -0.48465 -0.48214 -0.47488 -0.47112 -0.47065 -0.45181 -0.43752 -0.43480 -0.41868 -0.41530 -0.40905 -0.37785 -0.36669 -0.36179 -0.34856 -0.34541 -0.34205 -0.34037 -0.33625 -0.32971 -0.32129 -0.31655 -0.30925 -0.02557 0.00964 0.04121 0.04394 0.05232 0.05961 0.06090 0.06994 0.08631 0.13126 0.14314 0.14908 0.15591 0.15967 0.17203 0.17489 0.18522 0.18828 0.19258 0.19727 0.20511 0.21620 0.22005 0.22348 0.22776 0.22973 0.23396 0.23673 0.24544 0.26372 0.26633 0.28321 0.29961 0.30197 0.30858 0.31260 0.32274 0.32836 0.34200 0.34414 0.35234 0.35598 0.36469 0.36629 0.37165 0.37298 0.38130 0.38809 0.40290 0.40585 0.40790 0.41217 0.42216 0.42656 0.44665 0.44707 0.45634 0.46894 0.47454 0.47509 0.48029 0.48210 0.48557 0.48816 0.49207 0.49342 0.50045 0.50396 0.50999 0.52399 0.53223 0.53744 0.54222 0.54660 0.54980 0.55151 0.55304 0.55682 0.56622 0.56795 0.57118 0.58875 0.59227 0.59631 0.60643 0.62080 0.62499 0.62721 0.63987 0.64524 0.65322 0.66047 0.66282 0.66850 0.67519 0.67865 0.68270 0.69979 0.70779 0.70929 0.71480 0.72316 0.72522 0.72857 0.73266 0.73580 0.74028 0.74589 0.75380 0.75840 0.76151 0.77006 0.77412 0.77676 0.78325 0.78824 0.79098 0.80192 0.80292 0.80750 0.81206 0.81750 0.82089 0.82663 0.83070 0.83359 0.84602 0.85254 0.85494 0.86546 0.87067 0.87217 0.88596 0.88796 0.89745 0.90892 0.91427 0.91955 0.93173 0.93680 0.94181 0.96106 0.96350 0.96722 0.99197 1.00451 1.01388 1.01959 1.02762 1.03337 1.04957 1.06043 1.06820 1.07564 1.08591 1.09891 1.11704 1.12737 1.13606 1.15019 1.15867 1.16298 1.18284 1.19802 1.20289 1.20881 1.22255 1.23317 1.24453 1.25925 1.26407 1.28582 1.29265 1.30183 1.30496 1.32092 1.32295 1.33252 1.34010 1.34316 1.34866 1.35090 1.35887 1.36433 1.36545 1.37478 1.37524 1.38036 1.39260 1.39674 1.40978 1.41629 1.42207 1.45157 1.45374 1.46026 1.46962 1.47682 1.50206 1.51675 1.54730 1.55679 1.58240 1.59501 1.60982 1.61847 1.63273 1.63919 1.67878 1.70473 1.73362 1.75342 1.75856 1.76829 1.77839 1.78707 1.78868 1.79836 1.80430 1.81186 1.82173 1.82296 1.82733 1.83772 1.84793 1.85189 1.85258 1.85427 1.85800 1.86125 1.86429 1.86929 1.87025 1.88787 1.89427 1.89674 1.90278 1.90675 1.91556 1.93162 1.94071 1.95116 1.95890 1.96478 1.98004 2.00414 2.00809 2.01342 2.01990 2.02681 2.03495 2.03790 2.04325 2.04602 2.05249 2.05698 2.07067 2.07302 2.08376 2.09118 2.10601 2.11269 2.12564 2.14394 2.14525 2.15346 2.15963 2.18550 2.19979 2.22045 2.22198 2.23248 2.23698 2.24728 2.26159 2.27846 2.28929 2.29761 2.29884 2.33126 2.33379 2.34966 2.35653 2.36038 2.37255 2.37711 2.38826 2.39565 2.40111 2.41647 2.41994 2.43642 2.43868 2.45507 2.45798 2.48139 2.48275 2.49612 2.51282 2.51906 2.52589 2.55013 2.55471 2.58206 2.58844 2.61084 2.62495 2.66688 2.68154 2.68620 2.69485 2.70472 2.70825 2.72487 2.72637 2.74795 2.75726 2.78280 2.80849 2.81602 2.82133 2.82607 2.83092 2.83541 2.84096 2.84360 2.86973 2.87890 2.89888 2.90355 2.91197 2.92445 2.93948 2.95119 2.95837 2.99000 2.99872 3.02725 3.05761 3.07284 3.10629 3.11803 3.12647 3.14957 3.19437 3.19685 3.20817 3.21895 3.25484 3.27500 3.28313 3.39198 3.49300 3.49559 3.49762 3.61957 3.67660 3.68260 3.72880 3.76828 3.76909 18.87369 18.99182 19.38544 56.59020 2-A. -1.05075299e+00 -1.89687470e+00 -2.70060086e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.6707 -4.8214 -0.6864 5.5543 -175.6871 -155.3200 -175.7320 -10.1865 13.3257 1.4813 -6.7741 13.5930 -6.8189 -10.1865 13.3257 1.4813 -188.5487 -53.6136 18.1918 -98.1222 -58.2010 6.9236 -63.0865 -1.3880 -12.6779 -15.1558 -6374.7100 -3334.6164 -2063.8557 -250.0586 158.4030 -126.8387 32.9745 -3.7813 32.0563 -1789.0672 -1410.3816 -941.2217 -26.4418 25.2306 5.0396 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 2-A -1386.9266642 0.779538 0. 0.75072 5.453E-9 1.117E-5 9.4208192,1.9392413,-11.3600604,-1.6088141,10.4466111,3.2898478 C01 [X(C20H15B1I1N4O1)] 0.7505961 -1.7530835 1.0669826 0.000021896 0.000005579 -0.000002248 -0.000001951 -0.000003814 0.000002231 -0.000029273 -0.000011281 -0.000004696 -0.000006200 0.000000621 -0.000007751 -0.000000875 0.000007424 0.000002706 -0.000010465 0.000010508 -0.000027333 -0.000014905 -0.000032031 0.000011576 -0.000003943 -0.000002684 0.000000330 0.000006820 -0.000001282 -0.000002200 -0.000007215 -0.000000725 0.000010338 0.000007144 -0.000002595 0.000005058 0.000002841 0.000000982 -0.000000689 -0.000000924 0.000001459 -0.000001739 0.000002723 -0.000000520 -0.000002875 -0.000012633 0.000009270 -0.000003326 -0.000009975 -0.000018564 -0.000004438 0.000024907 0.000008875 0.000005492 0.000021231 0.000009642 -0.000003909 -0.000003549 -0.000002333 -0.000002399 0.000002776 -0.000002053 0.000000527 0.000002584 0.000000340 -0.000002428 0.000058336 0.000030432 0.000012495 0.000002930 0.000023939 0.000001470 -0.000003648 -0.000013955 -0.000007243 0.000004488 -0.000002945 0.000002163 -0.000003091 0.000008219 0.000009008 -0.000013682 -0.000020383 -0.000019871 -0.000008967 -0.000008790 0.000009331 -0.000006865 -0.000005644 0.000019881 -0.000002550 0.000001025 -0.000011728 0.000008337 0.000001141 -0.000001169 -0.000013818 0.000005864 -0.000012776 0.000000323 -0.000001625 0.000014097 0.000004836 0.000025154 0.000005961 -0.000006599 -0.000002923 -0.000001690 -0.000002768 -0.000008927 0.000002106 -0.000001292 0.000002580 0.000000134 -0.000004038 -0.000006896 -0.000003460 -0.000001138 -0.000010968 -0.000000121 -0.000004739 0.000004308 -0.000000835 0.000000665 0.000001984 -0.000000887 0.000002266 0.000001590 0.000010906 449.9556699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,11,18,29,27,2;35,34,36,33,31,32,42/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(16,17)(18,19);(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.2,17.2,20.1;1.3,2.3,3.3,4.3,5.3,6.3/rA:42nC3O1BC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHC3C3C3C3C3C3HHHHHI/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s24;s27;s22s23;s29;;s31;s32;s33;s34;s31s35;s31;s33;s34;s35;s36;s32;/rC:.7516,2.1732,-1.9;.486,3.3116,-2.2676;1.3839,-.5635,-.9851;-.2548,1.083,-2.0177;2.0732,1.8638,-1.2864;2.4084,.5634,-.8331;.018,-.2415,-1.5954;2.9927,2.9042,-1.1092;4.2018,2.6374,-.4865;4.4506,1.3254,-.053;3.6021,.3244,-.2126;2.7256,3.9034,-1.4608;4.9469,3.4183,-.3262;5.3949,1.0911,.4525;-2.1402,-.8926,-2.1191;-2.4901,.3935,-2.5622;-1.5286,1.3899,-2.511;-.9426,-1.2093,-1.6599;-1.7328,2.414,-2.8317;-2.8848,-1.6968,-2.1384;-3.4974,.5899,-2.933;1.6404,-1.9373,-.3444;1.3079,-3.9769,.4905;2.5508,-3.5637,.8797;.7757,-4.9004,.6945;3.3043,-4.0666,1.4774;2.7328,-2.3099,.3469;3.4958,-1.6217,.4272;.7763,-2.9643,-.2686;-.15,-2.8383,-.7041;-1.4009,.4467,1.3382;-1.0291,-.777,1.8922;.2229,-.9471,2.4834;1.1128,.1258,2.5106;.7543,1.3542,1.9586;-.5016,1.5119,1.3771;-2.3731,.5694,.858;.5111,-1.9112,2.9072;2.1018,-.0071,2.9538;1.4633,2.1843,1.9621;-.7816,2.4658,.9251;-2.3729,-2.4008,1.8223; Gaussian 16 GINC-BERON211 GRUFOR coments ES64L-G16RevC.02 120 C1[X(C20H15BIN4O)] UwB97XD def2SVP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk UwB97XD/def2SVP Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 449.9556699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,11,18,29,27,2;35,34,36,33,31,32,42/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(16,17)(18,19);(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.2,17.2,20.1;1.3,2.3,3.3,4.3,5.3,6.3/rA:42nC3O1BC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHC3C3C3C3C3C3HHHHHI/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s24;s27;s22s23;s29;;s31;s32;s33;s34;s31s35;s31;s33;s34;s35;s36;s32;/rC:.7516,2.1732,-1.9;.4859,3.3116,-2.2676;1.3839,-.5635,-.9851;-.2548,1.083,-2.0177;2.0732,1.8638,-1.2864;2.4084,.5634,-.8331;.018,-.2415,-1.5954;2.9927,2.9042,-1.1092;4.2018,2.6374,-.4865;4.4506,1.3254,-.053;3.6021,.3244,-.2126;2.7256,3.9034,-1.4608;4.9469,3.4183,-.3262;5.3949,1.0911,.4525;-2.1402,-.8926,-2.1191;-2.4901,.3935,-2.5622;-1.5286,1.3899,-2.511;-.9426,-1.2093,-1.6599;-1.7328,2.414,-2.8317;-2.8848,-1.6968,-2.1384;-3.4974,.5899,-2.933;1.6404,-1.9373,-.3444;1.3079,-3.9769,.4905;2.5508,-3.5638,.8797;.7757,-4.9004,.6945;3.3043,-4.0666,1.4774;2.7328,-2.3099,.3469;3.4958,-1.6217,.4272;.7763,-2.9643,-.2686;-.15,-2.8383,-.7041;-1.4009,.4467,1.3382;-1.0291,-.777,1.8922;.2229,-.9471,2.4834;1.1128,.1258,2.5106;.7543,1.3542,1.9586;-.5016,1.5119,1.3771;-2.3731,.5694,.858;.5111,-1.9112,2.9072;2.1018,-.0071,2.9538;1.4633,2.1843,1.9621;-.7816,2.4658,.9251;-2.3729,-2.4008,1.8223; coments Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 12 16 11 12 12 12 12 12 12 12 14 1 1 1 12 12 12 14 1 1 1 12 12 12 1 1 14 1 14 1 12 12 12 12 12 12 1 1 1 1 1 127 12.0000000 15.9949146 11.0093053 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 14.0030740 1.0078250 14.0030740 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 126.9004000 0 0 3 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 1 1 1 0 0 0 1 1 2 1 2 1 0 0 0 0 0 0 1 1 1 1 1 5 3.6000000 5.6000000 2.7500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 4.5500000 1.0000000 4.5500000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 5830.0000000 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l101.exe) Structure from the checkpoint file: "18_a_PhI.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 1 1 1 3 3 3 4 4 5 5 6 7 8 8 9 9 10 10 15 15 15 16 16 17 22 22 23 23 23 24 24 27 27 29 29 31 31 31 32 32 33 33 34 34 35 35 36 2 4 5 6 7 22 7 17 6 8 11 18 9 12 10 13 11 14 16 18 20 17 21 19 27 29 24 25 29 26 27 28 39 30 38 32 36 37 33 42 34 38 35 39 36 40 41 1.2253 1.4884 1.4896 1.5305 1.5303 1.5374 1.4167 1.4001 1.4174 1.3998 1.3664 1.3651 1.3859 1.0924 1.404 1.0912 1.3219 1.0964 1.4045 1.3211 1.0961 1.3856 1.0912 1.0924 1.3454 1.3442 1.3664 1.0852 1.3727 1.0853 1.3745 1.0306 3.5351 1.0314 3.3563 1.3937 1.3946 1.0913 1.3951 2.1088 1.3941 1.0919 1.3936 1.0919 1.3929 1.0917 1.0921 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 4 6 6 7 1 1 7 1 1 6 3 3 5 3 3 4 5 5 9 8 8 10 9 9 11 6 16 16 18 15 15 17 4 4 16 7 3 3 27 24 24 25 23 23 26 22 22 22 24 24 28 22 22 22 23 23 30 32 32 36 31 31 33 32 32 34 33 33 35 34 34 36 31 31 35 29 27 1 1 1 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 15 15 15 16 16 16 17 17 17 18 22 22 22 23 23 23 24 24 24 27 27 27 27 27 27 29 29 29 29 29 29 31 31 31 32 32 32 33 33 33 34 34 34 35 35 35 36 36 36 38 39 4 5 5 7 22 22 7 17 17 6 8 8 5 11 11 4 18 18 9 12 12 10 13 13 11 14 14 10 18 20 20 17 21 21 16 19 19 15 27 29 29 25 29 29 26 27 27 24 28 39 28 39 39 23 30 38 30 38 38 36 37 37 33 42 42 34 38 38 35 39 39 36 40 40 35 41 41 33 34 120.6777 120.59 118.7036 118.8273 120.3218 120.2059 122.0786 118.8432 119.0262 122.1535 118.7245 119.0806 119.0395 120.0737 120.8185 119.1732 119.8544 120.877 119.1384 118.5814 122.2779 118.2434 121.5995 120.1562 123.8205 119.6502 116.5291 118.8912 123.7097 119.8029 116.4864 118.2913 120.1327 121.5759 119.1215 118.6278 122.2465 118.971 126.6576 126.7936 106.3436 130.5326 106.6577 122.8096 130.4115 106.6136 122.9722 110.1374 117.1448 93.0733 132.6076 106.5449 68.8828 110.2352 117.403 82.2123 132.1773 74.8594 106.8752 119.1816 120.7468 120.0564 120.9864 119.5355 119.4764 119.1643 120.5972 120.2322 120.425 119.4987 120.0687 119.8101 120.1239 120.0525 120.4315 119.3586 120.1929 86.0248 86.6563 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 5 5 2 2 4 4 7 7 22 22 6 6 22 22 6 6 7 7 1 1 17 17 1 1 7 7 1 1 8 8 1 1 6 6 3 5 3 4 5 5 12 12 8 8 13 13 9 14 18 18 20 20 16 20 15 15 21 21 3 3 3 29 29 29 3 3 3 27 27 27 25 25 29 29 24 24 24 25 25 25 23 23 23 26 26 26 22 24 28 22 23 30 36 36 37 37 32 32 37 37 31 31 42 42 32 32 38 38 32 34 33 33 39 39 33 35 34 34 40 40 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 7 7 8 8 8 8 9 9 9 9 10 10 15 15 15 15 15 15 16 16 16 16 22 22 22 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 27 27 27 29 29 29 31 31 31 31 31 31 31 31 32 32 32 32 33 33 33 33 33 33 34 34 34 34 34 34 35 35 35 35 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 7 22 22 22 22 7 7 7 7 17 17 17 17 6 6 6 6 8 8 8 8 11 11 18 18 9 9 9 9 10 10 10 10 11 11 16 16 16 16 18 18 17 17 17 17 27 27 27 27 27 27 29 29 29 29 29 29 24 24 24 24 29 29 29 29 29 29 27 27 27 27 27 27 39 39 39 38 38 38 32 32 32 32 36 36 36 36 33 33 33 33 34 34 34 34 38 38 35 35 35 35 39 39 36 36 36 36 7 17 7 17 6 8 6 8 5 11 5 11 4 18 4 18 27 29 27 29 3 18 3 18 16 19 16 19 3 11 3 11 9 12 9 12 10 10 15 15 10 13 10 13 11 14 11 14 6 6 17 21 17 21 7 7 4 19 4 19 24 28 39 24 28 39 23 30 38 23 30 38 26 27 26 27 22 30 38 22 30 38 22 28 39 22 28 39 34 34 34 33 33 33 33 42 33 42 35 41 35 41 34 38 34 38 35 39 35 39 29 29 36 40 36 40 27 27 31 41 31 41 -179.6436 -2.2945 -1.5806 175.7686 179.1203 1.4866 1.0555 -176.5782 -1.2901 175.7305 -172.1049 4.9157 0.7957 -175.6848 171.6214 -4.859 -1.9311 172.1412 -172.6188 1.4535 0.641 177.0843 -176.7035 -0.2601 -176.8993 2.3691 0.532 179.8004 0.3582 -176.6395 177.9838 0.986 177.2247 -2.2376 -0.483 -179.9453 -177.6923 -0.7254 176.1412 -0.2782 -0.2321 -179.8983 179.2094 -0.4567 0.5194 -179.3182 -179.8095 0.3529 -0.0329 179.8093 -0.275 179.852 179.3315 -0.5415 0.5557 -179.0628 -0.2831 -179.5238 179.588 0.3473 174.0237 -2.6417 65.153 -1.0322 -177.6976 -109.9029 -173.9004 1.7651 -103.2527 1.1467 176.8123 71.7944 0.6894 -179.9048 -179.2307 0.1752 -0.8294 -175.6346 -76.3901 179.2429 4.4377 103.6822 0.5339 176.5012 100.2346 179.9947 -4.038 -80.3046 12.1332 -99.9288 130.106 57.1455 170.6397 -59.2104 0.1187 -179.3928 178.7007 -0.8109 0.197 178.701 -178.3949 0.1091 -0.3357 -179.4279 179.1762 0.0839 0.2398 -178.7555 179.3355 0.3402 72.6132 -106.4693 0.0699 -178.5961 179.0594 0.3934 64.577 -114.422 -0.2911 -178.7825 178.3759 -0.1156 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00119 0.00163 0.00363 0.00625 0.00758 0.00772 0.00922 0.01035 0.01164 0.01177 0.01370 0.01510 0.01671 0.01741 0.01820 0.01851 0.01857 0.01979 0.02019 0.02049 0.02094 0.02186 0.02248 0.02429 0.02463 0.02525 0.02643 0.02763 0.02875 0.02904 0.02955 0.03020 0.03070 0.03081 0.03900 0.03952 0.03955 0.04288 0.04540 0.04687 0.05156 0.07153 0.07816 0.08701 0.10264 0.10414 0.10533 0.10753 0.11189 0.11561 0.11719 0.11763 0.12031 0.12444 0.13179 0.13257 0.14044 0.14554 0.15989 0.16638 0.17834 0.18910 0.18944 0.18958 0.19222 0.20432 0.20914 0.21323 0.21522 0.21710 0.21973 0.22361 0.22871 0.23553 0.24544 0.25160 0.27149 0.28091 0.28533 0.31052 0.33507 0.34013 0.34140 0.34835 0.35400 0.35429 0.35669 0.36326 0.36465 0.36508 0.36577 0.36722 0.36733 0.36751 0.37164 0.38399 0.38557 0.38676 0.38942 0.39901 0.41663 0.42466 0.43419 0.43689 0.44202 0.45213 0.45386 0.46281 0.46978 0.48102 0.49093 0.49345 0.51049 0.51517 0.52755 0.56570 0.57158 0.57855 0.62318 0.81397 Angle between quadratic step and forces= 63.45 degrees. 1 2 0.00044726 0.00000019 0.00000004 0.00000001 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 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 2.31555 2.81268 2.81489 2.89224 2.89189 2.90526 2.67715 2.64573 2.67854 2.64522 2.58204 2.57965 2.61893 2.06437 2.65319 2.06204 2.49806 2.07192 2.65414 2.49656 2.07141 2.61847 2.06207 2.06437 2.54244 2.54026 2.58215 2.05069 2.59404 2.05087 2.59739 1.94750 6.68029 1.94901 6.34252 2.63378 2.63549 2.06232 2.63631 3.98510 2.63448 2.06333 2.63357 2.06344 2.63214 2.06310 2.06371 2.10622 2.10469 2.07177 2.07393 2.10001 2.09799 2.13067 2.07420 2.07740 2.13198 2.07213 2.07835 2.07763 2.09568 2.10868 2.07997 2.09185 2.10970 2.07936 2.06964 2.13415 2.06374 2.12231 2.09712 2.16108 2.08829 2.03382 2.07504 2.15914 2.09095 2.03307 2.06457 2.09671 2.12190 2.07906 2.07045 2.13360 2.07644 2.21059 2.21297 1.85605 2.27822 1.86153 2.14343 2.27611 1.86076 2.14627 1.92226 2.04456 1.62444 2.31444 1.85956 1.20223 1.92397 2.04907 1.43487 2.30693 1.30654 1.86532 2.08011 2.10743 2.09538 2.11161 2.08629 2.08526 2.07981 2.10482 2.09845 2.10181 2.08565 2.09559 2.09108 2.09656 2.09531 2.10193 2.08320 2.09776 1.50142 1.51244 -3.13537 -0.04005 -0.02759 3.06774 3.12624 0.02595 0.01842 -3.08187 -0.02252 3.06708 -3.00380 0.08580 0.01389 -3.06628 2.99536 -0.08481 -0.03370 3.00443 -3.01277 0.02537 0.01119 3.09070 -3.08406 -0.00454 -3.08747 0.04135 0.00929 3.13811 0.00625 -3.08294 3.10640 0.01721 3.09315 -0.03905 -0.00843 -3.14064 -3.10132 -0.01266 3.07424 -0.00485 -0.00405 -3.13982 3.12779 -0.00797 0.00907 -3.12969 -3.13827 0.00616 -0.00057 3.13826 -0.00480 3.13901 3.12993 -0.00945 0.00970 -3.12524 -0.00494 -3.13328 3.13440 0.00606 3.03729 -0.04611 1.13713 -0.01802 -3.10141 -1.91817 -3.03513 0.03081 -1.80210 0.02001 3.08596 1.25305 0.01203 -3.13993 -3.12817 0.00306 -0.01448 -3.06540 -1.33326 3.12838 0.07745 1.80960 0.00932 3.08053 1.74942 3.14150 -0.07048 -1.40158 0.21176 -1.74409 2.27078 0.99738 2.97822 -1.03342 0.00207 -3.13100 3.11892 -0.01415 0.00344 3.11892 -3.11358 0.00190 -0.00586 -3.13161 3.12721 0.00146 0.00419 -3.11987 3.12999 0.00594 1.26734 -1.85824 0.00122 -3.11709 3.12518 0.00687 1.12708 -1.99704 -0.00508 -3.12034 3.11325 -0.00202 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00002 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00001 -0.00002 0.00000 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -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 0.00004 -0.00003 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00002 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00002 0.00002 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 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 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -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 -0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 0.00000 0.00001 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 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00002 0.00002 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00007 -0.00006 0.00002 -0.00001 -0.00002 0.00005 -0.00004 -0.00003 0.00001 0.00003 -0.00006 -0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00004 0.00004 -0.00000 0.00006 -0.00000 -0.00000 -0.00004 0.00005 -0.00003 0.00000 -0.00004 -0.00001 0.00000 -0.00008 0.00048 0.00006 -0.00030 -0.00002 -0.00002 0.00000 0.00002 -0.00002 0.00002 0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00003 0.00003 0.00001 0.00001 -0.00002 0.00002 0.00006 -0.00003 -0.00003 -0.00007 0.00006 0.00001 0.00009 -0.00009 -0.00000 -0.00009 0.00009 0.00001 -0.00001 0.00003 -0.00002 -0.00000 -0.00002 0.00002 0.00001 -0.00002 0.00001 -0.00001 -0.00002 0.00005 -0.00003 -0.00001 0.00003 -0.00003 0.00002 0.00004 -0.00006 0.00003 0.00032 -0.00030 -0.00004 -0.00006 0.00002 0.00004 0.00007 -0.00003 -0.00004 0.00004 0.00006 -0.00038 -0.00012 -0.00034 0.00034 0.00000 -0.00004 0.00051 0.00006 -0.00015 -0.00000 -0.00001 0.00002 -0.00000 0.00000 0.00007 -0.00007 0.00001 -0.00006 0.00005 -0.00003 -0.00009 0.00011 0.00000 0.00004 -0.00005 0.00003 0.00001 -0.00003 -0.00017 0.00023 0.00020 0.00020 0.00018 0.00018 -0.00006 -0.00013 -0.00004 -0.00011 0.00017 0.00004 0.00010 -0.00002 -0.00004 -0.00017 0.00002 -0.00012 -0.00008 -0.00019 -0.00014 -0.00025 -0.00014 0.00000 -0.00014 0.00001 -0.00004 -0.00002 -0.00004 -0.00002 -0.00013 0.00000 -0.00006 0.00007 0.00008 0.00004 0.00001 -0.00003 0.00004 -0.00008 0.00014 -0.00000 -0.00008 -0.00004 -0.00004 -0.00000 0.00007 -0.00004 0.00004 -0.00007 0.00001 0.00011 -0.00007 -0.00004 -0.00003 -0.00001 0.00003 -0.00000 0.00007 0.00004 0.00004 0.00002 -0.00016 0.00017 0.00035 -0.00005 0.00029 0.00046 0.00010 0.00042 0.00016 0.00003 0.00034 0.00009 -0.00038 -0.00012 -0.00030 -0.00003 0.00000 -0.00037 -0.00050 0.00008 -0.00029 -0.00043 0.00005 -0.00034 -0.00051 0.00029 -0.00010 -0.00027 0.00015 0.00030 0.00032 0.00031 0.00017 0.00021 -0.00001 -0.00012 0.00007 -0.00003 0.00000 0.00005 -0.00009 -0.00004 0.00001 0.00011 0.00012 0.00022 0.00001 0.00008 -0.00009 -0.00003 0.00017 0.00028 -0.00002 -0.00007 -0.00009 -0.00014 0.00019 0.00026 0.00001 -0.00003 0.00006 0.00002 -0.00001 0.00007 -0.00006 0.00002 -0.00001 -0.00002 0.00005 -0.00004 -0.00003 0.00001 0.00003 -0.00006 -0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00004 0.00004 -0.00000 0.00006 -0.00000 -0.00000 -0.00004 0.00005 -0.00003 0.00000 -0.00004 -0.00001 0.00000 -0.00008 0.00048 0.00006 -0.00030 -0.00002 -0.00002 0.00000 0.00002 -0.00002 0.00002 0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00003 0.00003 0.00001 0.00001 -0.00002 0.00002 0.00006 -0.00003 -0.00003 -0.00007 0.00006 0.00001 0.00009 -0.00009 -0.00000 -0.00009 0.00009 0.00001 -0.00001 0.00003 -0.00002 -0.00000 -0.00002 0.00002 0.00001 -0.00002 0.00001 -0.00001 -0.00002 0.00005 -0.00003 -0.00001 0.00003 -0.00003 0.00002 0.00004 -0.00006 0.00003 0.00032 -0.00030 -0.00004 -0.00006 0.00002 0.00004 0.00007 -0.00003 -0.00004 0.00004 0.00006 -0.00038 -0.00012 -0.00034 0.00034 0.00000 -0.00004 0.00051 0.00006 -0.00015 -0.00000 -0.00001 0.00002 -0.00000 0.00000 0.00007 -0.00007 0.00001 -0.00006 0.00005 -0.00003 -0.00009 0.00011 0.00000 0.00004 -0.00005 0.00003 0.00001 -0.00003 -0.00017 0.00023 0.00020 0.00020 0.00018 0.00018 -0.00006 -0.00013 -0.00004 -0.00011 0.00017 0.00004 0.00010 -0.00002 -0.00004 -0.00017 0.00002 -0.00012 -0.00008 -0.00019 -0.00014 -0.00025 -0.00014 0.00000 -0.00014 0.00001 -0.00004 -0.00002 -0.00004 -0.00002 -0.00013 0.00000 -0.00006 0.00007 0.00008 0.00004 0.00001 -0.00003 0.00004 -0.00008 0.00014 -0.00000 -0.00008 -0.00004 -0.00004 -0.00000 0.00007 -0.00004 0.00004 -0.00007 0.00001 0.00011 -0.00007 -0.00004 -0.00003 -0.00001 0.00003 -0.00000 0.00007 0.00004 0.00004 0.00002 -0.00016 0.00017 0.00035 -0.00005 0.00029 0.00046 0.00010 0.00042 0.00016 0.00003 0.00034 0.00009 -0.00038 -0.00012 -0.00030 -0.00003 0.00000 -0.00037 -0.00050 0.00008 -0.00029 -0.00043 0.00005 -0.00034 -0.00051 0.00029 -0.00010 -0.00027 0.00015 0.00030 0.00032 0.00031 0.00017 0.00021 -0.00001 -0.00012 0.00007 -0.00003 0.00000 0.00005 -0.00009 -0.00004 0.00001 0.00011 0.00012 0.00022 0.00001 0.00008 -0.00009 -0.00003 0.00017 0.00028 -0.00002 -0.00007 -0.00009 -0.00014 0.00019 0.00026 0.00001 -0.00003 0.00006 0.00002 2.31554 2.81275 2.81484 2.89226 2.89188 2.90524 2.67721 2.64569 2.67852 2.64523 2.58207 2.57958 2.61893 2.06437 2.65321 2.06204 2.49805 2.07192 2.65410 2.49660 2.07141 2.61853 2.06207 2.06437 2.54240 2.54031 2.58212 2.05069 2.59400 2.05086 2.59739 1.94742 6.68077 1.94906 6.34223 2.63376 2.63548 2.06232 2.63633 3.98508 2.63450 2.06334 2.63357 2.06345 2.63213 2.06310 2.06371 2.10619 2.10472 2.07177 2.07393 2.09999 2.09801 2.13074 2.07417 2.07737 2.13191 2.07219 2.07836 2.07772 2.09559 2.10868 2.07987 2.09195 2.10971 2.07935 2.06967 2.13413 2.06373 2.12229 2.09715 2.16109 2.08827 2.03382 2.07503 2.15912 2.09100 2.03304 2.06457 2.09674 2.12187 2.07908 2.07049 2.13354 2.07646 2.21092 2.21267 1.85601 2.27816 1.86155 2.14348 2.27618 1.86073 2.14623 1.92230 2.04462 1.62405 2.31432 1.85922 1.20257 1.92397 2.04903 1.43538 2.30699 1.30640 1.86532 2.08010 2.10745 2.09537 2.11161 2.08636 2.08518 2.07982 2.10476 2.09850 2.10179 2.08556 2.09571 2.09108 2.09660 2.09526 2.10195 2.08321 2.09773 1.50125 1.51267 -3.13517 -0.03985 -0.02740 3.06792 3.12618 0.02582 0.01838 -3.08198 -0.02235 3.06712 -3.00369 0.08578 0.01385 -3.06645 2.99538 -0.08492 -0.03378 3.00424 -3.01290 0.02512 0.01105 3.09071 -3.08420 -0.00453 -3.08751 0.04133 0.00925 3.13809 0.00612 -3.08294 3.10635 0.01728 3.09323 -0.03902 -0.00842 -3.14067 -3.10127 -0.01274 3.07438 -0.00486 -0.00413 -3.13986 3.12776 -0.00798 0.00914 -3.12973 -3.13823 0.00609 -0.00057 3.13838 -0.00487 3.13896 3.12990 -0.00946 0.00973 -3.12524 -0.00488 -3.13324 3.13444 0.00608 3.03712 -0.04593 1.13748 -0.01806 -3.10112 -1.91771 -3.03503 0.03123 -1.80194 0.02004 3.08630 1.25314 0.01165 -3.14005 -3.12846 0.00302 -0.01447 -3.06577 -1.33376 3.12846 0.07716 1.80917 0.00937 3.08018 1.74892 -3.14139 -0.07058 -1.40185 0.21191 -1.74379 2.27110 0.99769 2.97840 -1.03320 0.00206 -3.13112 3.11899 -0.01419 0.00344 3.11897 -3.11366 0.00186 -0.00585 -3.13150 3.12733 0.00169 0.00420 -3.11979 3.12990 0.00591 1.26751 -1.85796 0.00120 -3.11716 3.12508 0.00673 1.12727 -1.99678 -0.00507 -3.12037 3.11331 -0.00200 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000040 0.000007 0.001544 0.000447 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -5.415099e-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 R47 1 1 1 3 3 3 4 4 5 5 6 7 8 8 9 9 10 10 15 15 15 16 16 17 22 22 23 23 23 24 24 27 27 29 29 31 31 31 32 32 33 33 34 34 35 35 36 2 4 5 6 7 22 7 17 6 8 11 18 9 12 10 13 11 14 16 18 20 17 21 19 27 29 24 25 29 26 27 28 39 30 38 32 36 37 33 42 34 38 35 39 36 40 41 1.2253 1.4884 1.4896 1.5305 1.5303 1.5374 1.4167 1.4001 1.4174 1.3998 1.3664 1.3651 1.3859 1.0924 1.404 1.0912 1.3219 1.0964 1.4045 1.3211 1.0961 1.3856 1.0912 1.0924 1.3454 1.3442 1.3664 1.0852 1.3727 1.0853 1.3745 1.0306 3.5351 1.0314 3.3563 1.3937 1.3946 1.0913 1.3951 2.1088 1.3941 1.0919 1.3936 1.0919 1.3929 1.0917 1.0921 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 4 6 6 7 1 1 7 1 1 6 3 3 5 3 3 4 5 5 9 8 8 10 9 9 11 6 16 16 18 15 15 17 4 4 16 7 3 3 27 24 24 25 23 23 26 22 22 22 24 24 28 22 22 22 23 23 30 32 32 36 31 31 33 32 32 34 33 33 35 34 34 36 31 31 35 29 27 1 1 1 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 15 15 15 16 16 16 17 17 17 18 22 22 22 23 23 23 24 24 24 27 27 27 27 27 27 29 29 29 29 29 29 31 31 31 32 32 32 33 33 33 34 34 34 35 35 35 36 36 36 38 39 4 5 5 7 22 22 7 17 17 6 8 8 5 11 11 4 18 18 9 12 12 10 13 13 11 14 14 10 18 20 20 17 21 21 16 19 19 15 27 29 29 25 29 29 26 27 27 24 28 39 28 39 39 23 30 38 30 38 38 36 37 37 33 42 42 34 38 38 35 39 39 36 40 40 35 41 41 33 34 120.6777 120.59 118.7036 118.8273 120.3218 120.2059 122.0786 118.8432 119.0262 122.1535 118.7245 119.0806 119.0395 120.0737 120.8185 119.1732 119.8544 120.877 119.1384 118.5814 122.2779 118.2434 121.5995 120.1562 123.8205 119.6502 116.5291 118.8912 123.7097 119.8029 116.4864 118.2913 120.1327 121.5759 119.1215 118.6278 122.2465 118.971 126.6576 126.7936 106.3436 130.5326 106.6577 122.8096 130.4115 106.6136 122.9722 110.1374 117.1448 93.0733 132.6076 106.5449 68.8828 110.2352 117.403 82.2123 132.1773 74.8594 106.8752 119.1816 120.7468 120.0564 120.9864 119.5355 119.4764 119.1643 120.5972 120.2322 120.425 119.4987 120.0687 119.8101 120.1239 120.0525 120.4315 119.3586 120.1929 86.0248 86.6563 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 5 5 2 2 4 4 7 7 22 22 6 6 22 22 6 6 7 7 1 1 17 17 1 1 7 7 1 1 8 8 1 1 6 6 3 5 3 4 5 5 12 12 8 8 13 13 9 14 18 18 20 20 16 20 15 15 21 21 3 3 3 29 29 29 3 3 3 27 27 27 25 25 29 29 24 24 24 25 25 25 23 23 23 26 26 26 22 24 28 22 23 30 36 36 37 37 32 32 37 37 31 31 42 42 32 32 38 38 32 34 33 33 39 39 33 35 34 34 40 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 7 7 8 8 8 8 9 9 9 9 10 10 15 15 15 15 15 15 16 16 16 16 22 22 22 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 27 27 27 29 29 29 31 31 31 31 31 31 31 31 32 32 32 32 33 33 33 33 33 33 34 34 34 34 34 34 35 35 35 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 7 22 22 22 22 7 7 7 7 17 17 17 17 6 6 6 6 8 8 8 8 11 11 18 18 9 9 9 9 10 10 10 10 11 11 16 16 16 16 18 18 17 17 17 17 27 27 27 27 27 27 29 29 29 29 29 29 24 24 24 24 29 29 29 29 29 29 27 27 27 27 27 27 39 39 39 38 38 38 32 32 32 32 36 36 36 36 33 33 33 33 34 34 34 34 38 38 35 35 35 35 39 39 36 36 36 7 17 7 17 6 8 6 8 5 11 5 11 4 18 4 18 27 29 27 29 3 18 3 18 16 19 16 19 3 11 3 11 9 12 9 12 10 10 15 15 10 13 10 13 11 14 11 14 6 6 17 21 17 21 7 7 4 19 4 19 24 28 39 24 28 39 23 30 38 23 30 38 26 27 26 27 22 30 38 22 30 38 22 28 39 22 28 39 34 34 34 33 33 33 33 42 33 42 35 41 35 41 34 38 34 38 35 39 35 39 29 29 36 40 36 40 27 27 31 41 31 -179.6436 -2.2945 -1.5806 175.7686 179.1203 1.4866 1.0555 -176.5782 -1.2901 175.7305 -172.1049 4.9157 0.7957 -175.6848 171.6214 -4.859 -1.9311 172.1412 -172.6188 1.4535 0.641 177.0843 -176.7035 -0.2601 -176.8993 2.3691 0.532 179.8004 0.3582 -176.6395 177.9838 0.986 177.2247 -2.2376 -0.483 -179.9453 -177.6923 -0.7254 176.1412 -0.2782 -0.2321 -179.8983 179.2094 -0.4567 0.5194 -179.3182 -179.8095 0.3529 -0.0329 179.8093 -0.275 179.852 179.3315 -0.5415 0.5557 -179.0628 -0.2831 -179.5238 179.588 0.3473 174.0237 -2.6417 65.153 -1.0322 -177.6976 -109.9029 -173.9004 1.7651 -103.2527 1.1467 176.8123 71.7944 0.6894 -179.9048 -179.2307 0.1752 -0.8294 -175.6346 -76.3901 179.2429 4.4377 103.6822 0.5339 176.5012 100.2346 -180.0053 -4.038 -80.3046 12.1332 -99.9288 130.106 57.1455 170.6397 -59.2104 0.1187 -179.3928 178.7007 -0.8109 0.197 178.701 -178.3949 0.1091 -0.3357 -179.4279 179.1762 0.0839 0.2398 -178.7555 179.3355 0.3402 72.6132 -106.4693 0.0699 -178.5961 179.0594 0.3934 64.577 -114.422 -0.2911 -178.7825 178.3759 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 493 A 465 A 465 822 493 101 100 2721.0342867428 42 42 42 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 Grimme-D2 -0.0452825111 0.000000 1.225336 0.000000 2.954103 4.179392 0.000000 1.488408 2.361745 2.542142 0.000000 1.489578 2.361776 2.541188 2.562002 0.000000 2.544646 3.647796 1.530509 2.960735 1.417424 0.000000 2.542057 3.646271 1.530324 1.416689 2.958304 2.634959 0.000000 2.486453 2.791384 3.824723 3.832579 1.399791 2.428416 4.356712 0.000000 3.757292 4.175409 4.293560 4.962032 2.401932 2.763692 5.198252 1.385880 0.000000 4.220543 4.956579 3.720367 5.104839 2.731912 2.315109 4.947934 2.394466 1.404009 0.000000 3.793545 4.780847 2.511030 4.325415 2.420838 1.366357 3.883037 2.798312 2.405152 1.321917 0.000000 2.661377 2.452978 4.688206 4.140951 2.148465 3.413269 4.952705 1.092415 2.175091 3.406395 3.890424 0.000000 4.650560 4.866255 5.383639 5.947477 3.405405 3.853771 6.268903 2.167055 1.091187 2.168223 3.375458 2.541034 0.000000 5.316547 6.035487 4.570780 6.166093 3.828150 3.293965 5.905974 3.390659 2.167124 1.096413 2.060173 4.323760 2.494599 0.000000 4.220131 4.959166 3.716676 2.732706 5.103259 4.946041 2.314282 6.463911 7.439526 7.254413 6.171659 6.863679 8.486745 8.205202 0.000000 3.756914 4.178367 4.290804 2.401744 4.961113 5.197492 2.761955 6.202913 7.356939 7.438913 6.529912 6.382441 8.334137 8.470401 1.404510 0.000000 2.487184 2.794693 3.824537 1.400058 3.833644 4.358749 2.427333 4.969956 6.204179 6.465027 5.722048 5.051567 7.128787 7.536988 2.395286 1.385635 0.000000 3.790696 4.779964 2.507028 2.419799 4.321827 3.880102 1.365089 5.719337 6.529819 6.171980 5.010092 6.295590 7.607859 7.065249 1.321123 2.403664 2.797070 0.000000 2.664305 2.459050 4.689365 2.149211 4.144463 4.956793 3.412629 5.053577 6.385121 6.865969 6.299844 4.896457 7.204540 7.958713 3.406949 2.174548 1.092417 3.889217 0.000000 5.315725 6.038369 4.564671 3.828611 6.163172 5.901678 3.292214 7.534800 8.469533 8.203044 7.062082 7.955932 9.528016 9.112496 1.096144 2.168996 3.392018 2.058785 4.325081 0.000000 4.650543 4.870002 5.380688 3.405171 5.946835 6.268065 3.852056 7.127661 8.333922 8.485597 7.607446 7.202184 9.279049 9.528113 2.168438 1.091203 2.166603 3.374118 2.539906 2.497128 0.000000 4.484038 5.708075 1.537398 3.938738 3.939937 2.661184 2.659479 5.084663 5.244892 4.315936 2.996797 6.044629 6.294105 4.888997 4.305112 5.235657 5.080083 2.988741 6.041515 4.873759 6.283669 0.000000 6.621852 7.836139 3.719508 5.859661 6.152835 4.855639 4.468570 7.262762 7.285522 6.187626 4.925348 8.241170 8.282452 6.510744 5.311575 6.545552 6.771858 4.165225 7.818443 5.448745 7.461049 2.228852 0.000000 6.623977 7.838301 3.720277 6.152893 5.863307 4.470645 4.855750 6.781228 6.560980 5.327536 4.173214 7.827278 7.479589 5.471608 6.175246 7.274405 7.257916 4.919067 8.237623 6.491550 8.268630 2.229926 1.366413 0.000000 7.534502 8.734673 4.690384 6.649708 7.166723 5.903540 5.246229 8.311452 8.363696 7.268014 6.009124 9.271135 9.361704 7.569224 5.699285 7.021174 7.426542 4.703239 8.498730 5.629201 7.846138 3.256841 1.085177 2.229794 0.000000 7.540469 8.740996 4.692888 7.169409 6.657607 5.251390 5.905315 7.441716 7.043150 5.720970 4.714375 8.513995 7.872393 5.658838 7.256147 8.353755 8.308887 6.003593 9.270373 7.549472 9.348647 3.259039 2.228810 1.085274 2.775221 0.000000 5.391874 6.594284 2.577503 5.101808 4.530164 3.122969 3.926937 5.419791 5.227615 4.040512 2.829823 6.470875 6.177948 4.320195 5.642370 6.561234 6.325811 4.329840 7.236116 6.173340 7.614591 1.345403 2.197778 1.374477 3.265277 2.165791 0.000000 5.229559 6.376383 2.752139 5.230631 4.136319 2.746844 4.253317 4.805974 4.412881 3.134922 2.051329 5.889346 5.298598 3.311573 6.227318 6.987704 6.553424 4.921934 7.365227 6.877453 8.067615 2.034054 3.215266 2.206610 4.268486 2.667764 1.030572 0.000000 5.390369 6.592895 2.578014 4.527968 5.101751 3.927632 3.122292 6.329114 6.569614 5.652233 4.336257 7.237768 7.624561 6.188434 4.027711 5.215792 5.412951 2.823210 6.464652 4.301907 6.164074 1.344247 1.372707 2.196987 2.162462 3.264074 2.152894 3.111576 0.000000 5.230558 6.377291 2.758032 4.136754 5.233691 4.258351 2.750609 6.558763 6.997796 6.239086 4.931797 7.368313 8.078783 6.893769 3.122307 4.401438 4.800333 2.048280 5.883799 3.292264 5.284435 2.036396 2.202095 3.213941 2.658096 4.266162 3.113661 4.006492 1.031371 0.000000 4.254458 4.976909 3.764738 3.602851 4.578844 4.386198 3.330592 5.597601 6.286378 6.078407 5.239207 6.067225 7.203842 6.883465 3.780687 4.050047 3.965187 3.455616 4.622713 4.345529 4.760182 4.214774 5.255898 5.648876 5.808900 6.521282 5.066448 5.393098 4.353916 4.065338 0.000000 5.124040 6.026248 3.761234 4.398413 5.167353 4.586959 3.680501 6.223758 6.684234 6.183132 5.204910 6.873634 7.631212 6.843293 4.163914 4.831767 4.932851 3.579340 5.743988 4.531542 5.589532 3.670855 4.203057 4.648345 4.657689 5.456322 4.346253 4.830587 3.565452 3.429622 1.393736 0.000000 5.406536 6.385725 3.677714 4.960784 5.053322 4.249336 4.144455 5.950729 6.123747 5.428674 4.505952 6.734050 7.019027 5.918438 5.174070 5.883562 5.785667 4.312171 6.585847 5.619749 6.748400 3.314630 3.785366 3.852037 4.374326 4.498655 3.566747 3.923629 3.456724 3.725113 2.427094 1.395075 0.000000 4.876085 5.776961 3.573279 4.826154 4.284895 3.612514 4.265257 4.935275 4.983270 4.376304 3.694824 5.713474 5.795613 4.848117 5.749183 6.227817 5.813035 4.837384 6.471040 6.396516 7.148536 3.561748 4.577238 4.282589 5.354841 4.842092 3.638498 3.615682 4.169576 4.551365 2.792087 2.405267 1.394105 0.000000 3.944573 4.665175 3.569154 4.111245 3.539637 3.339874 3.964692 4.101783 4.417059 4.208304 3.726149 4.698612 5.201858 4.885984 5.482088 5.646797 5.018948 4.748073 5.500570 6.271859 6.525946 4.113753 5.557187 5.345792 6.381062 6.009847 4.465128 4.326304 4.858953 5.048218 2.419286 2.779746 2.419397 1.393624 0.000000 3.570364 4.183045 3.666400 3.430702 3.721213 3.775280 3.490036 4.508932 5.182781 5.157880 4.558201 4.918091 6.018444 5.983332 4.548694 4.552335 4.023346 4.101630 4.477116 5.323038 5.329376 4.410138 5.847054 5.943671 6.573861 6.753826 5.111654 5.167304 4.937382 4.835273 1.394643 2.404788 2.792052 2.410860 1.392867 0.000000 4.465717 5.046072 4.335391 3.608381 5.103255 5.071751 3.520496 6.173616 7.022358 6.925624 6.075275 6.518370 7.943648 7.796063 3.324866 3.426718 3.568817 3.398522 4.174517 3.791539 3.954210 4.882417 5.861242 6.428749 6.313541 7.355868 5.884071 6.279386 4.865690 4.358293 1.091333 2.165352 3.417809 3.883224 3.407019 2.158854 0.000000 6.312681 7.352306 4.210444 5.814301 5.854650 4.869565 4.827436 6.743736 6.769645 5.895555 4.927959 7.602164 7.650816 6.236223 5.773304 6.650816 6.664447 4.844041 7.528519 6.085753 7.512096 3.442261 3.277572 3.316958 3.728453 3.806768 3.413231 3.891333 3.356318 3.786597 3.417158 2.165423 1.091865 2.160682 3.409051 3.883882 4.321071 0.000000 5.489657 6.394309 4.042192 5.608668 4.634662 3.841800 5.009181 5.077115 4.820655 4.041365 3.519405 5.930397 5.530492 4.278620 6.671801 7.188336 6.707857 5.656851 7.351111 7.324718 8.146254 3.849250 4.738931 4.141631 5.550418 4.483809 3.535058 3.306605 4.570029 5.144582 3.883908 3.394524 2.152898 1.091928 2.158561 3.401607 4.974934 2.481552 0.000000 3.927141 4.485088 4.030160 4.472503 3.320704 3.366496 4.541905 3.505714 3.701322 3.704267 3.572440 4.032961 4.346770 4.350971 6.253686 6.269429 5.439763 5.515774 5.766203 7.126203 7.149289 4.726411 6.336432 5.949296 7.229969 6.534296 4.941442 4.579559 5.652900 5.910840 3.407660 3.871285 3.408207 2.159000 1.091748 2.157560 4.306436 4.309650 2.488646 0.000000 3.227576 3.537645 4.185035 3.293852 3.660928 4.109285 3.784365 4.309972 5.182239 5.443562 5.009592 4.478765 5.940417 6.345216 4.731971 4.401674 3.677238 4.496035 3.875727 5.579916 5.077315 5.183153 6.787011 6.889293 7.532547 7.724696 5.957542 5.937288 5.773845 5.584494 2.151992 3.393015 3.883974 3.402663 2.159321 1.092069 2.476665 4.975746 4.306375 2.488824 0.000000 6.673856 7.584972 5.036950 5.600787 6.900619 6.220785 4.696767 8.094872 8.598870 7.997567 6.875143 8.747370 9.594677 8.626007 4.226614 5.200612 5.818981 3.948642 6.727036 4.055305 5.729083 4.584362 4.219717 5.146261 4.175364 5.926525 5.315410 6.082321 3.821911 3.393446 3.047526 2.108824 3.047729 4.359705 4.888501 4.360008 3.122858 3.119944 5.199319 5.979908 5.198202 0.000000 C20H15BIN4O(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 449.9556699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,11,18,29,27,2;35,34,36,33,31,32,42/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(16,17)(18,19);(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.2,17.2,20.1;1.3,2.3,3.3,4.3,5.3,6.3/rA:42nC3O1BC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHC3C3C3C3C3C3HHHHHI/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s24;s27;s22s23;s29;;s31;s32;s33;s34;s31s35;s31;s33;s34;s35;s36;s32;/rC:2.9284,1.795,-.1505;3.6322,2.7108,.2588;1.2204,-.4166,-1.1087;1.6043,2.0735,-.7704;3.3629,.3784,.0027;2.567,-.7069,-.4419;.7636,1.0375,-1.2466;4.5748,.1128,.6508;4.9594,-1.2037,.8496;4.1067,-2.2212,.3925;2.9604,-1.9976,-.2267;5.1813,.9554,.9909;5.8947,-1.4567,1.3514;4.3829,-3.2709,.5476;-.8786,2.5724,-1.7971;-.1056,3.657,-1.3512;1.1536,3.3975,-.8345;-.4714,1.3163,-1.7571;1.8058,4.191,-.4624;-1.8827,2.7482,-2.2002;-.4994,4.6727,-1.4137;.2534,-1.5656,-1.4378;-1.6072,-2.6871,-1.9358;-.6702,-3.5934,-1.5262;-2.6342,-2.8303,-2.2557;-.729,-4.6731,-1.4335;.4664,-2.8782,-1.233;1.3839,-3.1518,-.8519;-1.0101,-1.4522,-1.8823;-1.3715,-.5005,-2.0477;-.847,1.0619,1.6686;-1.6076,-.0603,1.3454;-1.12,-1.3478,1.5711;.1508,-1.506,2.122;.9224,-.3922,2.4479;.4206,.8875,2.2233;-1.2236,2.067,1.4709;-1.7175,-2.2226,1.3069;.5461,-2.5112,2.282;1.926,-.5218,2.8578;1.0277,1.7645,2.4579;-3.518,.1902,.4882; 0.2446841 0.1277624 0.1086274 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 53. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 492 492 492 492 492 MxSgAt= 42 MxSgA2= 42. 1 open 1 1 1 -1386.92666420658 -1386.92666421 1 0.7795 1.191338325856e+03 -8.601191955958e+03 3.301937961663e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572365918 LenY= 1572122376 Requested convergence on RMS density matrix=1.00D-08 within 32 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.7795 Using compressed storage, NAtomX= 42. Will process 43 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=111111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. Defaulting to unpruned grid for atomic number 53. 12636 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1572864000 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 126 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 126 NMatS0= 126 NMatT0= 0 NMatD0= 126 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. There are 129 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 126 vectors produced by pass 0 Test12= 7.33D-14 1.00D-09 XBig12= 4.34D+02 6.11D+00. AX will form 126 AO Fock derivatives at one time. 126 vectors produced by pass 1 Test12= 7.33D-14 1.00D-09 XBig12= 6.59D+01 1.15D+00. 126 vectors produced by pass 2 Test12= 7.33D-14 1.00D-09 XBig12= 1.97D+00 1.76D-01. 126 vectors produced by pass 3 Test12= 7.33D-14 1.00D-09 XBig12= 5.12D-02 2.59D-02. 126 vectors produced by pass 4 Test12= 7.33D-14 1.00D-09 XBig12= 7.18D-04 2.42D-03. 126 vectors produced by pass 5 Test12= 7.33D-14 1.00D-09 XBig12= 7.62D-06 2.67D-04. 126 vectors produced by pass 6 Test12= 7.33D-14 1.00D-09 XBig12= 7.58D-08 1.75D-05. 101 vectors produced by pass 7 Test12= 7.33D-14 1.00D-09 XBig12= 6.60D-10 1.94D-06. 34 vectors produced by pass 8 Test12= 7.33D-14 1.00D-09 XBig12= 6.05D-12 1.50D-07. 3 vectors produced by pass 9 Test12= 7.33D-14 1.00D-09 XBig12= 5.88D-14 1.68D-08. 3 vectors produced by pass 10 Test12= 7.33D-14 1.00D-09 XBig12= 7.61D-16 2.78D-09. InvSVY: IOpt=1 It= 1 EMax= 1.07D-14 Solved reduced A of dimension 1023 with 129 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 280.25 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 340.828 -2.425 330.890 77.157 -1.225 169.021 382.735 -0.930 397.073 92.821 2.385 214.132 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 C O B C C C C C C C N H H H C C C N H H H C C C H H N H N H C C C C C C H H H H H I 13 17 11 13 13 13 13 13 13 13 14 1 1 1 13 13 13 14 1 1 1 13 13 13 1 1 14 1 14 1 13 13 13 13 13 13 1 1 1 1 1 127 -0.01768 0.05519 0.04202 0.01861 0.01863 -0.03263 -0.03313 -0.01763 0.02028 -0.01689 0.02356 0.00082 -0.00162 0.00077 -0.01681 0.02005 -0.01755 0.02354 0.00082 0.00077 -0.00160 -0.03275 -0.00139 -0.00067 -0.00030 -0.00035 0.02361 -0.00124 0.02383 -0.00123 0.00041 -0.00026 0.00126 0.00054 0.00091 0.00016 -0.00002 -0.00006 -0.00001 -0.00003 0.00007 0.00000 -19.87965 -33.45588 60.27352 20.92473 20.94529 -36.67886 -37.24142 -19.82186 22.79465 -18.99055 7.61324 3.68273 -7.23791 3.45388 -18.89688 22.54496 -19.73492 7.60655 3.67499 3.45240 -7.14995 -36.82180 -1.56039 -0.74975 -1.32068 -1.54364 7.62749 -5.53713 7.69876 -5.47617 0.46493 -0.28903 1.42174 0.60308 1.02314 0.18182 -0.08383 -0.25421 -0.05769 -0.14788 0.29104 0.00022 -7.09355 -11.93789 21.50709 7.46647 7.47380 -13.08793 -13.28867 -7.07293 8.13370 -6.77630 2.71660 1.31409 -2.58267 1.23243 -6.74288 8.04460 -7.04191 2.71421 1.31133 1.23190 -2.55128 -13.13893 -0.55679 -0.26753 -0.47125 -0.55081 2.72168 -1.97579 2.74711 -1.95403 0.16590 -0.10313 0.50731 0.21519 0.36508 0.06488 -0.02991 -0.09071 -0.02059 -0.05277 0.10385 0.00008 -6.63114 -11.15968 20.10508 6.97974 6.98660 -12.23475 -12.42240 -6.61186 7.60348 -6.33457 2.53951 1.22843 -2.41431 1.15209 -6.30332 7.52019 -6.58286 2.53727 1.22584 1.15160 -2.38497 -12.28243 -0.52049 -0.25009 -0.44053 -0.51490 2.54426 -1.84699 2.56803 -1.82665 0.15508 -0.09641 0.47424 0.20116 0.34128 0.06065 -0.02796 -0.08480 -0.01924 -0.04933 0.09708 0.00007 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 0.000433 -0.119311 -0.063430 -0.027608 -0.018477 0.006352 0.006687 0.010632 -0.015665 0.013889 -0.029713 0.002035 0.005835 0.002867 0.013931 -0.032755 0.017202 -0.046119 0.000649 -0.002097 -0.004483 0.003827 -0.005651 -0.006825 0.002797 -0.001974 -0.058773 0.004738 -0.063722 -0.001693 -0.000057 0.001731 -0.000296 -0.001933 -0.002527 -0.001327 0.000205 0.000342 -0.001286 -0.001245 -0.001015 0.001271 0.004914 -0.289795 -0.126082 -0.057111 -0.061718 0.011067 0.010917 0.030871 -0.060196 0.027554 -0.083116 -0.000220 -0.007133 -0.002090 0.035519 -0.052099 0.030445 -0.081384 0.002069 0.004220 0.006143 0.010378 -0.008267 -0.009143 -0.001602 0.003585 -0.079837 -0.001734 -0.087649 0.005688 -0.001216 -0.001287 -0.003286 -0.001508 -0.002709 -0.000802 -0.000185 -0.000644 -0.000261 -0.001424 -0.000958 -0.000902 -0.005347 0.409107 0.189512 0.084719 0.080195 -0.017420 -0.017603 -0.041504 0.075861 -0.041443 0.112828 -0.001815 0.001297 -0.000777 -0.049449 0.084854 -0.047647 0.127503 -0.002718 -0.002123 -0.001660 -0.014205 0.013918 0.015967 -0.001195 -0.001612 0.138609 -0.003004 0.151370 -0.003995 0.001273 -0.000444 0.003581 0.003442 0.005236 0.002129 -0.000019 0.000302 0.001547 0.002669 0.001973 -0.000370 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 0.010404 0.022251 -0.000461 0.007971 0.003995 -0.001535 0.000645 -0.003832 -0.001574 0.000206 -0.005290 -0.004124 -0.003803 0.000253 -0.005056 0.004265 -0.007340 0.004530 -0.004648 -0.000748 -0.005720 0.003451 0.001398 0.000650 0.001246 0.000898 -0.008650 -0.003263 -0.003163 -0.004115 -0.000882 -0.000339 0.001149 0.001159 0.000521 0.000055 -0.000951 0.001362 0.000415 0.000186 0.000107 -0.000232 0.003421 -0.348758 -0.140558 -0.070874 -0.075346 0.008386 0.014933 0.040182 -0.070478 0.042370 -0.100147 0.002620 0.003356 0.002699 0.032441 -0.061337 0.034154 -0.088202 0.001251 0.000030 -0.002297 0.011619 -0.007140 -0.010341 0.001301 -0.000242 -0.083300 0.004310 -0.070805 0.001806 -0.002541 -0.002258 -0.004671 -0.001864 -0.000812 -0.001263 -0.001473 -0.001614 -0.000610 0.000337 -0.001252 -0.000976 0.004432 -0.047321 0.002363 -0.016303 -0.006294 0.000122 -0.003874 -0.001212 -0.000807 -0.000458 0.003155 -0.002101 -0.002052 0.000193 0.008764 -0.016359 0.006905 -0.019527 -0.001638 0.000318 -0.001810 0.002874 0.001890 0.003482 0.000412 -0.000214 0.030300 -0.001056 0.020267 -0.001649 0.001314 0.000396 -0.000959 -0.002657 -0.000173 0.002038 0.000919 -0.000650 -0.001727 -0.000645 0.001341 0.000114 0.7562 -0.646 0.1046 -0.2509 -0.1386 0.958 0.6044 0.7507 0.2669 -0.008 -0.0069 0.0149 -1.071 -0.924 1.995 -0.382 -0.33 0.712 -0.357 -0.308 0.665 1 C 13 0.5735 0.7477 0.3348 0.6883 -0.6614 0.2979 -0.4442 -0.0596 0.8939 -0.2939 -0.2916 0.5856 21.268 21.103 -42.37 7.589 7.53 -15.119 7.094 7.039 -14.133 2 O 17 -0.6268 0.7255 -0.2841 0.6645 0.6882 0.2913 -0.4069 0.0062 0.9135 -0.1266 -0.1255 0.2521 -21.677 -21.492 43.169 -7.735 -7.669 15.404 -7.231 -7.169 14.4 3 B 11 0.9011 -0.0272 0.4327 -0.0196 0.9945 0.1032 -0.4331 -0.1015 0.8956 -0.0619 -0.059 0.1208 -8.303 -7.912 16.215 -2.963 -2.823 5.786 -2.77 -2.639 5.409 4 C 13 -0.1739 0.9836 -0.0486 0.8625 0.176 0.4745 -0.4752 -0.0406 0.8789 -0.0621 -0.0591 0.1212 -8.335 -7.932 16.267 -2.974 -2.83 5.804 -2.78 -2.646 5.426 5 C 13 -0.3032 -0.0187 0.9527 0.8461 0.4546 0.2782 -0.4383 0.8905 -0.1221 -0.0201 0.0083 0.0118 -2.696 1.112 1.584 -0.962 0.397 0.565 -0.899 0.371 0.528 6 C 13 -0.4246 0.1043 0.8994 0.3585 0.9315 0.0612 0.8314 -0.3484 0.4329 -0.0251 0.0109 0.0142 -3.369 1.464 1.905 -1.202 0.522 0.68 -1.124 0.488 0.635 7 C 13 -0.4776 -0.0081 0.8785 0.5537 0.7736 0.3082 0.6821 -0.6337 0.365 -0.0633 0.0276 0.0357 -8.499 3.71 4.79 -3.033 1.324 1.709 -2.835 1.237 1.598 8 C 13 0.2235 0.9671 0.1211 0.8499 -0.2542 0.4616 -0.4772 2.0E-4 0.8788 -0.0607 -0.0535 0.1141 -8.14 -7.175 15.315 -2.905 -2.56 5.465 -2.715 -2.393 5.109 9 C 13 -0.476 0.0054 0.8794 0.0061 1.0 -0.0029 0.8794 -0.0039 0.4761 -0.0644 0.0276 0.0368 -8.64 3.698 4.942 -3.083 1.319 1.763 -2.882 1.233 1.648 10 C 13 0.5426 0.7984 0.261 0.7038 -0.6017 0.3775 -0.4585 0.0211 0.8884 -0.0857 -0.0789 0.1646 -3.304 -3.043 6.348 -1.179 -1.086 2.265 -1.102 -1.015 2.117 11 N 14 0.4866 0.8243 0.2893 -0.4711 -0.0313 0.8815 0.7357 -0.5653 0.3732 -0.0034 -0.0031 0.0065 -1.81 -1.676 3.486 -0.646 -0.598 1.244 -0.604 -0.559 1.163 12 H 1 0.2296 0.9651 0.126 -0.4706 -0.0032 0.8824 0.852 -0.2619 0.4534 -0.0083 -5.0E-4 0.0088 -4.431 -0.259 4.69 -1.581 -0.092 1.674 -1.478 -0.086 1.564 13 H 1 -0.4182 -0.379 0.8255 -0.2182 0.9241 0.3137 0.8818 0.0489 0.4691 -0.0022 -0.0021 0.0043 -1.191 -1.112 2.303 -0.425 -0.397 0.822 -0.397 -0.371 0.768 14 H 1 -0.3874 -0.1003 0.9164 0.9072 0.1354 0.3983 -0.164 0.9857 0.0385 -0.0641 0.0274 0.0367 -8.605 3.679 4.925 -3.07 1.313 1.757 -2.87 1.227 1.643 15 C 13 0.8382 0.3736 0.3973 -0.3822 0.9221 -0.0607 -0.389 -0.101 0.9157 -0.0599 -0.0528 0.1127 -8.042 -7.084 15.126 -2.87 -2.528 5.397 -2.682 -2.363 5.045 16 C 13 -0.3966 -0.0983 0.9127 0.599 0.7257 0.3384 0.6957 -0.6809 0.2289 -0.0632 0.0276 0.0356 -8.485 3.705 4.78 -3.028 1.322 1.706 -2.83 1.236 1.595 17 C 13 0.6359 0.6995 0.3261 -0.6694 0.7102 -0.2181 -0.3841 -0.0796 0.9198 -0.0864 -0.0797 0.166 -3.331 -3.072 6.403 -1.189 -1.096 2.285 -1.111 -1.025 2.136 18 N 14 0.6129 0.6536 0.444 -0.4717 -0.1483 0.8692 -0.634 0.7421 -0.2174 -0.0034 -0.0031 0.0065 -1.815 -1.663 3.479 -0.648 -0.594 1.241 -0.605 -0.555 1.16 19 H 1 0.8076 0.122 -0.5769 0.5783 0.0275 0.8154 -0.1154 0.9921 0.0483 -0.0022 -0.0021 0.0043 -1.191 -1.116 2.307 -0.425 -0.398 0.823 -0.397 -0.372 0.769 20 H 1 0.8337 0.3826 0.3983 -0.3949 -0.0912 0.9142 -0.3861 0.9194 -0.0751 -0.0082 -5.0E-4 0.0087 -4.378 -0.26 4.638 -1.562 -0.093 1.655 -1.46 -0.087 1.547 21 H 1 -0.4348 -0.0358 0.8998 0.679 -0.6694 0.3015 0.5915 0.742 0.3154 -0.0199 0.0056 0.0144 -2.675 0.749 1.926 -0.954 0.267 0.687 -0.892 0.25 0.642 22 C 13 -0.6279 0.7388 -0.245 0.7159 0.6716 0.1906 -0.3053 0.0557 0.9506 -0.0101 -0.0062 0.0163 -1.353 -0.837 2.19 -0.483 -0.299 0.782 -0.451 -0.279 0.731 23 C 13 0.7461 -0.5692 0.3454 0.5648 0.8158 0.1243 -0.3526 0.1023 0.9302 -0.0121 -0.0082 0.0203 -1.625 -1.095 2.72 -0.58 -0.391 0.971 -0.542 -0.365 0.907 24 C 13 -0.2059 0.9632 -0.1727 -0.3104 0.1031 0.945 0.9281 0.2481 0.2778 -0.0019 -0.0016 0.0035 -1.036 -0.842 1.878 -0.37 -0.3 0.67 -0.346 -0.281 0.626 25 H 1 0.931 -0.1322 0.3402 -0.3295 0.0967 0.9392 0.157 0.9865 -0.0465 -0.0022 -0.0015 0.0037 -1.168 -0.826 1.995 -0.417 -0.295 0.712 -0.39 -0.276 0.665 26 H 1 0.8699 -0.3357 0.3614 0.3576 0.9339 0.0067 -0.3397 0.1234 0.9324 -0.09 -0.0829 0.173 -3.473 -3.198 6.671 -1.239 -1.141 2.38 -1.158 -1.067 2.225 27 N 14 -0.4443 -0.1596 0.8815 0.2353 0.9287 0.2867 0.8644 -0.3348 0.375 -0.005 -0.0029 0.0079 -2.66 -1.54 4.2 -0.949 -0.55 1.499 -0.887 -0.514 1.401 28 H 1 -0.4027 0.8948 -0.1928 0.8697 0.4397 0.2242 -0.2854 0.0774 0.9553 -0.0906 -0.0836 0.1742 -3.494 -3.223 6.717 -1.247 -1.15 2.397 -1.165 -1.075 2.241 29 N 14 -0.5531 -0.0849 0.8288 0.7224 0.4466 0.5279 -0.4149 0.8907 -0.1857 -0.005 -0.0029 0.0079 -2.684 -1.557 4.241 -0.958 -0.556 1.513 -0.895 -0.519 1.415 30 H 1 0.7074 -0.2767 0.6505 0.4072 0.9117 -0.055 -0.5778 0.3038 0.7575 -0.002 -0.0017 0.0037 -0.275 -0.227 0.502 -0.098 -0.081 0.179 -0.092 -0.076 0.167 31 C 13 0.4914 -0.2622 0.8305 0.231 0.9587 0.166 0.8398 -0.1103 -0.5316 -0.0019 -0.0013 0.0032 -0.256 -0.174 0.43 -0.091 -0.062 0.153 -0.085 -0.058 0.143 32 C 13 -0.6171 0.7303 -0.2928 0.5582 0.6686 0.4913 -0.5546 -0.1398 0.8203 -0.0039 -0.003 0.0069 -0.52 -0.407 0.926 -0.185 -0.145 0.331 -0.173 -0.136 0.309 33 C 13 -0.636 0.7605 0.131 0.7153 0.5172 0.47 -0.2897 -0.3926 0.8729 -0.0029 -0.0023 0.0053 -0.394 -0.311 0.705 -0.141 -0.111 0.252 -0.131 -0.104 0.235 34 C 13 -0.6681 0.7424 -0.0493 0.7366 0.6694 0.0965 -0.1046 -0.0281 0.9941 -0.0032 -0.0022 0.0053 -0.425 -0.29 0.715 -0.152 -0.103 0.255 -0.142 -0.097 0.238 35 C 13 -0.6142 0.6379 -0.4646 0.7554 0.6456 -0.1122 -0.2283 0.4199 0.8784 -0.0023 -0.0011 0.0034 -0.314 -0.147 0.461 -0.112 -0.052 0.164 -0.105 -0.049 0.154 36 C 13 0.6645 -0.0441 0.746 0.3792 0.8801 -0.2858 0.6439 -0.4728 -0.6015 -0.0014 -9.0E-4 0.0023 -0.739 -0.477 1.216 -0.264 -0.17 0.434 -0.247 -0.159 0.406 37 H 1 0.6828 -0.6507 0.3322 0.2555 0.6387 0.7258 0.6844 0.4107 -0.6024 -0.0017 -8.0E-4 0.0026 -0.929 -0.447 1.376 -0.331 -0.16 0.491 -0.31 -0.149 0.459 38 H 1 0.9405 -0.3399 -0.0046 0.288 0.7897 0.5417 -0.1805 -0.5108 0.8405 -0.0014 -0.0013 0.0027 -0.764 -0.691 1.455 -0.273 -0.247 0.519 -0.255 -0.23 0.485 39 H 1 -0.5101 0.8441 0.1654 0.8568 0.5155 0.0115 0.0756 -0.1476 0.9862 -0.0017 -0.0011 0.0028 -0.887 -0.602 1.489 -0.317 -0.215 0.531 -0.296 -0.201 0.497 40 H 1 -0.6401 0.6412 -0.4233 0.713 0.7009 -0.0165 -0.2861 0.3124 0.9058 -0.002 -9.0E-4 0.0028 -1.041 -0.47 1.51 -0.371 -0.168 0.539 -0.347 -0.157 0.504 41 H 1 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l716.exe) PT36391.100S 2024-09-26T02:14:55.000 -19.22232 -14.51775 -14.51605 -14.44410 -14.44101 -10.36746 -10.36631 -10.36229 -10.36139 -10.35006 -10.33832 -10.33556 -10.31702 -10.31449 -10.31283 -10.31241 -10.31144 -10.30983 -10.30878 -10.30867 -10.30709 -10.30484 -10.30332 -10.29775 -10.29661 -6.96258 -6.80440 -4.98516 -4.96985 -4.96962 -2.01917 -2.01431 -2.01409 -2.00108 -2.00106 -1.15722 -1.11066 -1.03255 -1.03073 -1.01520 -0.96406 -0.89990 -0.89171 -0.88545 -0.86549 -0.86279 -0.84892 -0.83937 -0.78203 -0.75522 -0.75326 -0.74032 -0.72744 -0.71724 -0.70434 -0.69337 -0.68405 -0.68303 -0.63636 -0.61286 -0.60992 -0.60746 -0.59161 -0.57654 -0.57138 -0.56140 -0.55724 -0.55259 -0.55230 -0.54486 -0.54259 -0.54108 -0.52008 -0.51255 -0.49991 -0.49311 -0.49265 -0.48544 -0.48464 -0.47608 -0.47410 -0.47226 -0.46124 -0.43794 -0.43727 -0.42844 -0.41553 -0.41124 -0.38390 -0.37665 -0.36788 -0.35858 -0.35064 -0.34418 -0.34195 -0.33930 -0.33680 -0.32547 -0.32055 -0.31037 -0.21037 -0.00082 0.04108 0.04253 0.04694 0.05145 0.05510 0.05894 0.08218 0.13079 0.13487 0.14867 0.15571 0.15939 0.17154 0.17250 0.17488 0.18728 0.19237 0.19689 0.20376 0.21606 0.21956 0.22236 0.22686 0.22744 0.22834 0.23667 0.24521 0.26312 0.26521 0.28290 0.29892 0.30299 0.30696 0.31131 0.32174 0.32686 0.34106 0.34347 0.35098 0.35589 0.36427 0.36592 0.37033 0.37224 0.37981 0.38752 0.40145 0.40397 0.40509 0.40904 0.41202 0.42380 0.44661 0.44719 0.45511 0.46888 0.47405 0.47494 0.47999 0.48148 0.48481 0.48690 0.49141 0.49216 0.49968 0.50159 0.50449 0.52288 0.53145 0.53593 0.54183 0.54351 0.54938 0.55131 0.55263 0.55649 0.56577 0.56721 0.57046 0.58772 0.59193 0.59538 0.60512 0.61988 0.62543 0.62700 0.63973 0.64538 0.65291 0.65889 0.66133 0.66678 0.67336 0.67798 0.68191 0.69906 0.70730 0.70859 0.71492 0.72249 0.72496 0.72781 0.73226 0.73514 0.74015 0.74534 0.75383 0.75793 0.76112 0.76925 0.77311 0.77629 0.78263 0.78705 0.79044 0.80146 0.80259 0.80674 0.81133 0.81703 0.81950 0.82531 0.82991 0.83280 0.84511 0.85185 0.85380 0.86388 0.86972 0.87112 0.88523 0.88681 0.89628 0.90853 0.91381 0.91757 0.93063 0.93450 0.94030 0.95996 0.96202 0.96589 0.99005 1.00377 1.01148 1.01830 1.02642 1.03178 1.04825 1.05884 1.06518 1.07310 1.08170 1.09687 1.11485 1.12594 1.13048 1.14592 1.14849 1.15835 1.17947 1.19221 1.20045 1.20629 1.22154 1.23060 1.24338 1.25815 1.26125 1.28425 1.29102 1.30017 1.30393 1.32025 1.32240 1.33148 1.33877 1.34249 1.34733 1.35051 1.35779 1.36248 1.36490 1.37327 1.37425 1.37914 1.39057 1.39579 1.40860 1.41503 1.42124 1.45000 1.45185 1.45889 1.46385 1.47475 1.49992 1.51439 1.54634 1.55550 1.58109 1.59319 1.60446 1.61694 1.62442 1.63395 1.67744 1.70113 1.73095 1.75209 1.75643 1.76793 1.77770 1.78660 1.78824 1.79747 1.80327 1.81078 1.82055 1.82235 1.82640 1.83707 1.84729 1.85017 1.85098 1.85258 1.85687 1.86072 1.86348 1.86861 1.86906 1.88750 1.89317 1.89567 1.90161 1.90559 1.91441 1.93040 1.94014 1.95028 1.95789 1.96433 1.97992 2.00323 2.00737 2.01263 2.01921 2.02516 2.03371 2.03667 2.04142 2.04390 2.05173 2.05486 2.07032 2.07176 2.08303 2.08983 2.10504 2.11199 2.12438 2.14308 2.14385 2.15235 2.15872 2.18481 2.19893 2.21846 2.22101 2.23162 2.23649 2.24622 2.26085 2.27800 2.28886 2.29788 2.29889 2.32974 2.33137 2.34758 2.35570 2.36005 2.37137 2.37594 2.38722 2.39490 2.40091 2.41609 2.41852 2.43628 2.43853 2.45227 2.45656 2.48042 2.48185 2.49407 2.51063 2.51735 2.52434 2.54944 2.55172 2.57952 2.58577 2.61073 2.62317 2.66522 2.67843 2.68370 2.69362 2.70240 2.70749 2.72451 2.72617 2.74482 2.75604 2.78168 2.80708 2.81568 2.81873 2.82222 2.82497 2.83298 2.83830 2.84228 2.86865 2.87140 2.89878 2.90045 2.90878 2.92368 2.93788 2.95085 2.95651 2.98953 2.99660 3.02495 3.05686 3.07248 3.10624 3.11741 3.12584 3.14741 3.19383 3.19576 3.20683 3.21794 3.24528 3.27379 3.28300 3.39119 3.49181 3.49423 3.49639 3.61825 3.67558 3.68257 3.72788 3.76478 3.76807 18.87368 18.99182 19.38544 56.59019 -19.21873 -14.51632 -14.51461 -14.44269 -14.43959 -10.36811 -10.36663 -10.36211 -10.36125 -10.35007 -10.33911 -10.33634 -10.31697 -10.31448 -10.31363 -10.31239 -10.31223 -10.30983 -10.30937 -10.30876 -10.30783 -10.30353 -10.30202 -10.29638 -10.29525 -6.96257 -6.80113 -4.98516 -4.96984 -4.96961 -2.01917 -2.01430 -2.01408 -2.00107 -2.00106 -1.15529 -1.10399 -1.03058 -1.02875 -1.01207 -0.96401 -0.89695 -0.89001 -0.88352 -0.86398 -0.86219 -0.84884 -0.83822 -0.78199 -0.75268 -0.75171 -0.73935 -0.72309 -0.71546 -0.70429 -0.69323 -0.68360 -0.68122 -0.63451 -0.61194 -0.60978 -0.60352 -0.59044 -0.57546 -0.56608 -0.56090 -0.55628 -0.55226 -0.54901 -0.54260 -0.54176 -0.54088 -0.51826 -0.50740 -0.49761 -0.49182 -0.49054 -0.48465 -0.48214 -0.47488 -0.47112 -0.47065 -0.45181 -0.43752 -0.43480 -0.41868 -0.41530 -0.40905 -0.37785 -0.36669 -0.36179 -0.34856 -0.34541 -0.34205 -0.34037 -0.33625 -0.32971 -0.32129 -0.31655 -0.30925 -0.02557 0.00964 0.04121 0.04394 0.05232 0.05961 0.06090 0.06994 0.08631 0.13126 0.14314 0.14908 0.15591 0.15967 0.17203 0.17489 0.18522 0.18828 0.19258 0.19727 0.20511 0.21620 0.22005 0.22348 0.22776 0.22973 0.23396 0.23673 0.24544 0.26372 0.26633 0.28321 0.29961 0.30197 0.30858 0.31260 0.32274 0.32836 0.34200 0.34414 0.35234 0.35598 0.36469 0.36629 0.37165 0.37298 0.38130 0.38809 0.40290 0.40585 0.40790 0.41217 0.42216 0.42656 0.44665 0.44707 0.45634 0.46894 0.47454 0.47509 0.48029 0.48210 0.48557 0.48816 0.49207 0.49342 0.50045 0.50396 0.50999 0.52399 0.53223 0.53744 0.54222 0.54660 0.54980 0.55151 0.55304 0.55682 0.56622 0.56795 0.57118 0.58875 0.59227 0.59631 0.60643 0.62080 0.62499 0.62721 0.63987 0.64524 0.65322 0.66047 0.66282 0.66850 0.67519 0.67865 0.68270 0.69979 0.70779 0.70929 0.71480 0.72316 0.72522 0.72857 0.73266 0.73580 0.74028 0.74589 0.75380 0.75840 0.76151 0.77006 0.77412 0.77676 0.78325 0.78824 0.79098 0.80192 0.80292 0.80750 0.81206 0.81750 0.82089 0.82663 0.83070 0.83359 0.84602 0.85254 0.85494 0.86546 0.87067 0.87217 0.88596 0.88796 0.89745 0.90892 0.91427 0.91955 0.93173 0.93680 0.94181 0.96106 0.96350 0.96722 0.99197 1.00451 1.01388 1.01959 1.02762 1.03337 1.04957 1.06043 1.06820 1.07564 1.08591 1.09891 1.11704 1.12737 1.13606 1.15019 1.15867 1.16298 1.18284 1.19802 1.20289 1.20881 1.22255 1.23317 1.24453 1.25925 1.26407 1.28582 1.29265 1.30183 1.30496 1.32092 1.32295 1.33252 1.34010 1.34316 1.34866 1.35090 1.35887 1.36433 1.36545 1.37478 1.37524 1.38036 1.39260 1.39674 1.40978 1.41629 1.42207 1.45157 1.45374 1.46026 1.46962 1.47682 1.50206 1.51675 1.54730 1.55679 1.58240 1.59501 1.60982 1.61847 1.63273 1.63919 1.67878 1.70473 1.73362 1.75342 1.75856 1.76829 1.77839 1.78707 1.78868 1.79836 1.80430 1.81186 1.82173 1.82296 1.82733 1.83772 1.84793 1.85189 1.85258 1.85427 1.85800 1.86125 1.86429 1.86929 1.87025 1.88787 1.89427 1.89674 1.90278 1.90675 1.91556 1.93162 1.94071 1.95116 1.95890 1.96478 1.98004 2.00414 2.00809 2.01342 2.01990 2.02681 2.03495 2.03790 2.04325 2.04602 2.05249 2.05698 2.07067 2.07302 2.08376 2.09118 2.10601 2.11269 2.12564 2.14394 2.14525 2.15346 2.15963 2.18550 2.19979 2.22045 2.22198 2.23248 2.23698 2.24728 2.26159 2.27846 2.28929 2.29761 2.29884 2.33126 2.33379 2.34966 2.35653 2.36038 2.37255 2.37711 2.38826 2.39565 2.40111 2.41647 2.41994 2.43642 2.43868 2.45507 2.45798 2.48139 2.48275 2.49612 2.51282 2.51906 2.52589 2.55013 2.55471 2.58206 2.58844 2.61084 2.62495 2.66688 2.68154 2.68620 2.69485 2.70472 2.70825 2.72487 2.72637 2.74795 2.75726 2.78280 2.80849 2.81602 2.82133 2.82607 2.83092 2.83541 2.84096 2.84360 2.86973 2.87890 2.89888 2.90355 2.91197 2.92445 2.93948 2.95119 2.95837 2.99000 2.99872 3.02725 3.05761 3.07284 3.10629 3.11803 3.12647 3.14957 3.19437 3.19685 3.20817 3.21895 3.25484 3.27500 3.28313 3.39198 3.49300 3.49559 3.49762 3.61957 3.67660 3.68260 3.72880 3.76828 3.76909 18.87369 18.99182 19.38544 56.59020 2-A. -1.05075320e+00 -1.89687538e+00 -2.70060182e-01 3.40828180e+02 -2.42529548e+00 3.30889878e+02 7.71568218e+01 -1.22463594e+00 1.69021194e+02 -0.0007 -0.0006 0.0003 3.4858 7.8075 8.8600 18.4976 26.4424 27.1773 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 18.3916 26.2789 27.1737 44.0197 58.8985 62.1874 81.6483 108.6752 117.8586 122.9063 163.6870 168.9246 176.4806 213.2342 226.3729 228.0384 248.3566 274.9002 290.3236 299.7550 355.6707 375.6081 387.4187 417.0488 423.7072 429.7526 471.0048 479.3041 516.0504 579.9392 587.3692 626.5737 632.0673 638.0888 665.5503 674.0141 698.5205 711.5867 727.0410 743.0661 756.8189 760.0388 777.9160 784.4151 807.2977 831.1568 859.8738 866.6992 886.5186 892.1678 905.2916 924.4177 941.5170 942.9628 960.7441 968.5973 999.3817 1000.3826 1006.1541 1008.8287 1026.9884 1033.8039 1038.0201 1042.2749 1055.0525 1074.2962 1079.8119 1084.7472 1097.2143 1106.5013 1111.6306 1118.4689 1132.2993 1170.8622 1180.0563 1189.9761 1201.0793 1202.6687 1240.8406 1275.8651 1292.1533 1308.3074 1312.7981 1323.7204 1344.8876 1356.6573 1359.4597 1372.8128 1440.3510 1462.2613 1472.8521 1483.1245 1485.0245 1505.5305 1517.5862 1534.4129 1559.0175 1616.8273 1625.0527 1639.5699 1660.6801 1665.5637 1670.5282 1671.1741 1752.9392 3168.8050 3171.4780 3206.2125 3213.5992 3217.5489 3218.3576 3221.3716 3227.2677 3231.6561 3232.4923 3233.5953 3304.9629 3324.3051 3400.9369 3410.8961 6.7049 8.1869 8.9314 10.2719 7.6450 5.0497 3.7149 4.8286 5.9830 4.9630 5.1497 5.5928 4.6908 6.3217 5.5810 4.8702 5.3835 9.8344 5.6516 8.0586 7.0417 6.7090 6.0936 2.8400 10.2990 4.7095 3.3517 4.1638 3.8443 5.4561 5.3941 6.4228 3.5512 7.8588 8.0877 6.7367 8.3894 2.0548 3.8885 2.5371 1.8048 1.5542 7.4455 2.4962 1.6746 1.6907 1.2702 1.3751 3.0526 3.7317 1.2686 1.1880 4.6045 1.4253 6.6900 7.0867 1.4072 1.4259 1.4773 4.8996 2.2415 1.3490 1.3688 1.4215 3.5709 2.2048 1.3560 1.8786 2.0675 1.4866 1.7708 1.7029 1.6165 1.6857 1.0968 2.0937 1.1224 1.7499 2.7138 4.0459 2.1291 1.4734 6.4528 1.4676 8.0340 4.6870 4.4588 2.0631 3.0389 3.1254 3.3655 2.3241 2.6552 4.4883 2.2693 4.7194 5.4550 6.2195 6.1934 3.7245 6.7819 6.6983 6.1621 6.3652 11.7538 1.0914 1.0916 1.0865 1.0901 1.0903 1.0901 1.0947 1.0973 1.0991 1.0991 1.1012 1.0930 1.1111 1.0854 1.0884 0.0013 0.0033 0.0039 0.0117 0.0156 0.0115 0.0146 0.0336 0.0490 0.0442 0.0813 0.0940 0.0861 0.1694 0.1685 0.1492 0.1956 0.4379 0.2807 0.4266 0.5248 0.5577 0.5389 0.2910 1.0894 0.5125 0.4381 0.5636 0.6032 1.0812 1.0965 1.4856 0.8359 1.8852 2.1108 1.8032 2.4118 0.6130 1.2110 0.8254 0.6091 0.5290 2.6547 0.9049 0.6430 0.6881 0.5533 0.6086 1.4135 1.7501 0.6126 0.5981 2.4049 0.7467 3.6382 3.9173 0.8281 0.8408 0.8812 2.9380 1.3929 0.8495 0.8690 0.9098 2.3419 1.4993 0.9316 1.3024 1.4665 1.0724 1.2893 1.2551 1.2211 1.3615 0.8998 1.7468 0.9539 1.4913 2.4618 3.8804 2.0944 1.4859 6.5523 1.5151 8.5616 5.0826 4.8551 2.2908 3.7145 3.9374 4.3015 3.0120 3.4499 5.9939 3.0792 6.5467 7.8118 9.5793 9.6364 5.8990 11.0198 10.9481 10.1319 10.4739 21.2795 6.4569 6.4688 6.5805 6.6328 6.6501 6.6526 6.6932 6.7338 6.7628 6.7668 6.7842 7.0341 7.2343 7.3967 7.4607 0.1255 0.2581 0.2941 0.5185 0.1154 3.2478 0.3428 1.1398 5.0436 1.9974 0.4276 1.3583 0.6486 1.9742 2.3020 0.4926 0.1415 0.0368 4.3217 21.8301 12.3315 0.4621 0.0414 0.0229 1.3153 3.1591 10.1884 0.0494 0.1635 10.5725 12.2103 0.1895 0.1737 2.0667 4.6534 11.2839 0.8900 36.6100 10.8253 1.3992 66.7123 39.2185 12.1312 0.6921 43.3218 0.5427 3.0435 4.1383 32.1125 3.6594 28.7654 128.0043 4.1737 3.7497 11.2657 9.7322 0.0054 1.1317 2.5755 16.8321 13.7496 0.1122 0.1898 0.1583 6.6872 9.0341 12.7085 2.4271 8.6665 1.9304 6.8052 12.9275 48.6620 10.1265 0.3670 31.6500 0.0364 3.2093 38.7957 1.2743 0.5002 2.5392 131.8638 0.4036 0.7220 42.6011 2.3485 0.4731 184.5848 7.2446 44.7827 4.0309 27.2404 12.6694 23.2132 37.1308 77.0114 1.4205 231.3148 212.9401 69.0864 192.4850 16.5767 1.0720 328.7766 33.6520 22.3814 0.2896 0.6472 0.8056 0.5967 1.0496 2.8330 13.4728 6.8637 4.3015 5.1612 2.2710 276.8858 107.3928 0.06 -0.05 0.02 0.07 -0.06 0.03 0.03 -0.02 0.01 0.05 -0.03 0.05 0.05 -0.06 -0.02 0.04 -0.04 -0.02 0.04 -0.01 0.04 0.07 -0.08 -0.06 0.07 -0.08 -0.10 0.05 -0.07 -0.09 0.03 -0.05 -0.06 0.09 -0.09 -0.06 0.08 -0.10 -0.13 0.04 -0.07 -0.12 0.04 0.01 0.10 0.05 -0.01 0.11 0.06 -0.02 0.09 0.03 0.01 0.06 0.07 -0.04 0.09 0.03 0.02 0.12 0.05 -0.00 0.14 0.01 -0.00 -0.00 -0.00 0.02 0.01 -0.00 0.00 -0.02 -0.01 0.03 0.02 -0.01 0.00 -0.04 0.01 -0.01 -0.02 0.01 -0.02 -0.05 0.01 0.01 0.02 0.01 0.02 0.04 -0.13 0.15 -0.00 -0.04 0.09 -0.00 0.06 0.13 -0.00 0.07 0.23 -0.00 -0.02 0.29 -0.01 -0.12 0.25 -0.01 -0.21 0.12 -0.00 0.13 0.08 -0.00 0.15 0.26 -0.00 -0.01 0.37 -0.01 -0.18 0.30 -0.01 -0.06 -0.06 -0.01 -0.03 -0.01 0.03 -0.06 0.00 0.05 0.04 -0.06 0.01 -0.05 -0.05 0.06 0.04 0.00 -0.02 0.07 -0.02 -0.03 -0.02 -0.07 0.05 0.07 0.04 -0.08 0.14 0.05 -0.13 0.16 0.02 -0.13 0.13 -0.01 -0.07 0.05 0.05 -0.08 0.17 0.07 -0.18 0.22 0.03 -0.16 -0.09 -0.13 0.12 -0.13 -0.11 0.14 -0.11 -0.07 0.11 -0.04 -0.11 0.08 -0.14 -0.05 0.12 -0.11 -0.16 0.14 -0.18 -0.12 0.18 0.07 -0.09 0.02 0.09 -0.14 0.06 0.13 -0.11 0.03 0.09 -0.17 0.09 0.16 -0.12 0.02 0.12 -0.08 0.00 0.14 -0.06 -0.03 0.05 -0.12 0.06 0.02 -0.13 0.08 -0.02 0.01 0.04 -0.05 0.04 -0.01 -0.08 0.02 -0.06 -0.08 -0.03 -0.07 -0.05 -0.06 -0.02 -0.03 -0.04 0.03 0.00 0.02 0.08 -0.10 0.04 -0.10 -0.11 -0.05 -0.11 -0.06 -0.10 -0.03 -0.01 -0.07 0.07 -0.03 0.12 -0.03 -0.14 -0.04 0.08 -0.18 -0.04 0.14 -0.06 -0.04 -0.04 -0.12 -0.05 0.04 -0.11 -0.03 0.05 -0.08 -0.04 -0.01 -0.09 -0.05 -0.01 -0.13 -0.03 0.08 -0.12 -0.03 0.07 -0.08 -0.03 0.01 -0.06 -0.04 -0.03 -0.16 -0.03 0.13 -0.13 -0.02 0.09 -0.07 -0.03 -0.01 -0.10 -0.07 -0.02 -0.13 -0.06 0.03 -0.14 -0.05 0.06 -0.08 -0.06 -0.04 -0.16 -0.05 0.10 -0.09 -0.07 -0.04 -0.15 -0.07 0.04 -0.04 -0.05 -0.08 -0.01 -0.07 -0.14 -0.01 -0.07 -0.15 -0.00 -0.08 -0.17 0.01 -0.07 -0.17 -0.02 -0.05 -0.10 -0.03 -0.05 -0.10 -0.03 -0.06 -0.10 -0.04 -0.06 -0.09 0.06 0.10 0.06 0.11 0.08 0.02 0.15 0.10 -0.00 0.15 0.13 0.03 0.10 0.16 0.07 0.05 0.14 0.08 0.02 0.09 0.07 0.19 0.08 -0.04 0.18 0.14 0.01 0.09 0.18 0.09 0.02 0.16 0.11 0.12 0.03 -0.01 -0.00 -0.01 0.04 -0.04 -0.01 0.10 0.08 -0.03 -0.07 0.04 -0.02 -0.04 0.01 -0.01 0.05 0.05 -0.02 -0.01 0.06 -0.03 -0.07 -0.04 0.00 0.14 -0.04 0.00 0.17 0.01 -0.00 0.08 0.06 -0.01 -0.00 -0.08 0.01 0.20 -0.08 0.01 0.24 0.02 -0.00 0.09 0.08 -0.05 -0.15 0.06 -0.04 -0.14 0.03 -0.03 -0.08 0.08 -0.04 -0.12 0.01 -0.02 -0.06 0.09 -0.05 -0.19 0.06 -0.04 -0.17 0.10 -0.03 -0.11 0.12 -0.05 -0.17 0.13 -0.04 -0.18 0.13 -0.06 -0.19 0.15 -0.05 -0.22 0.12 -0.03 -0.14 0.11 -0.03 -0.13 0.10 -0.04 -0.11 0.09 -0.04 -0.10 -0.03 0.03 -0.02 -0.03 0.03 -0.02 -0.00 0.03 -0.09 0.03 0.02 -0.16 0.03 0.02 -0.16 0.01 0.02 -0.10 -0.05 0.03 0.03 -0.01 0.03 -0.09 0.05 0.02 -0.22 0.05 0.02 -0.22 0.01 0.02 -0.10 -0.10 0.03 0.14 -0.08 -0.01 0.17 -0.18 -0.02 0.39 0.03 0.01 -0.06 -0.01 0.00 0.03 -0.02 -0.00 0.03 0.02 0.00 -0.06 0.03 0.01 -0.06 -0.01 -0.01 0.02 0.04 -0.01 -0.10 0.07 -0.01 -0.17 0.06 0.00 -0.14 -0.05 -0.02 0.10 0.06 -0.02 -0.13 0.10 -0.01 -0.24 0.07 0.02 -0.16 0.04 0.01 -0.10 -0.01 0.00 0.01 0.06 0.02 -0.14 -0.04 -0.00 0.09 0.10 0.03 -0.23 0.05 0.02 -0.13 -0.00 0.01 0.00 -0.07 0.05 0.20 -0.08 0.04 0.22 -0.10 0.06 0.28 -0.12 0.05 0.31 -0.04 0.02 0.09 -0.02 0.02 0.05 -0.02 0.03 0.06 0.00 0.03 0.01 0.04 -0.01 -0.10 0.02 -0.01 -0.03 -0.00 -0.01 0.01 0.01 -0.00 -0.01 0.03 -0.00 -0.07 0.05 -0.00 -0.11 0.06 -0.01 -0.14 -0.02 -0.01 0.07 -0.01 -0.00 0.03 0.04 0.00 -0.08 0.07 -0.00 -0.17 -0.00 -0.01 -0.00 0.02 -0.00 -0.05 0.04 -0.00 -0.07 0.06 0.00 -0.13 0.01 -0.00 -0.01 0.01 -0.00 -0.02 0.03 -0.00 -0.07 0.03 0.00 -0.06 -0.05 -0.01 0.09 -0.10 -0.01 0.17 -0.07 -0.00 0.11 -0.00 -0.00 -0.01 -0.07 -0.01 0.13 -0.15 -0.01 0.27 -0.10 -0.00 0.17 -0.05 -0.02 0.13 -0.08 -0.02 0.19 -0.05 -0.02 0.11 0.00 -0.00 0.00 -0.06 -0.02 0.15 -0.08 -0.03 0.18 -0.13 -0.04 0.30 0.03 0.00 -0.06 -0.05 0.03 0.17 -0.05 0.03 0.17 -0.08 0.04 0.26 -0.08 0.04 0.26 0.00 0.01 0.02 0.01 0.02 0.02 0.00 0.01 0.02 0.01 0.01 0.02 0.02 0.00 -0.05 0.03 0.00 -0.07 0.06 0.00 -0.13 0.08 0.00 -0.18 0.07 0.00 -0.17 0.04 0.00 -0.10 -0.00 0.00 -0.01 0.07 -0.00 -0.15 0.10 0.00 -0.23 0.09 0.00 -0.21 0.04 0.00 -0.09 0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 0.01 -0.01 -0.00 0.02 -0.00 0.00 -0.00 0.01 0.00 -0.02 0.01 0.00 -0.02 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 0.00 -0.03 0.02 0.00 -0.03 0.02 0.01 -0.06 0.05 0.01 -0.11 0.03 0.01 -0.08 -0.01 -0.00 0.01 0.04 0.01 -0.11 0.03 0.01 -0.07 0.07 0.02 -0.18 -0.01 -0.00 0.01 -0.03 0.01 0.07 -0.02 0.01 0.06 -0.03 0.01 0.09 -0.03 0.01 0.08 -0.01 0.00 0.02 -0.01 -0.00 0.01 -0.01 0.00 0.03 -0.01 0.00 0.03 -0.09 -0.01 0.22 -0.00 -0.01 0.01 0.08 -0.01 -0.20 0.08 -0.01 -0.19 -0.01 -0.01 0.02 -0.09 -0.01 0.22 -0.17 -0.00 0.39 0.16 -0.01 -0.37 0.15 -0.01 -0.36 -0.01 -0.01 0.02 -0.16 -0.01 0.39 0.01 0.00 -0.01 -0.01 -0.00 0.02 -0.02 0.01 0.02 0.01 -0.03 0.06 -0.02 -0.02 0.04 0.03 0.01 -0.01 -0.01 -0.01 0.10 0.03 -0.03 -0.02 0.11 0.04 -0.14 0.12 0.05 -0.10 0.03 0.03 0.10 -0.03 -0.00 0.19 0.15 0.05 -0.26 0.18 0.07 -0.21 0.01 0.03 0.18 0.01 -0.06 -0.06 -0.06 -0.06 0.07 -0.07 -0.04 0.10 0.06 -0.05 -0.10 -0.12 -0.03 0.17 0.04 -0.07 -0.13 -0.10 -0.07 0.12 -0.01 -0.01 0.04 -0.02 0.09 -0.17 -0.14 0.05 0.02 0.02 0.14 -0.30 -0.22 0.06 0.08 -0.13 -0.01 0.15 -0.19 -0.07 0.24 0.06 0.05 -0.15 0.15 0.08 -0.21 0.01 -0.00 -0.01 0.02 -0.00 -0.03 0.03 -0.00 -0.07 0.03 -0.00 -0.08 0.02 -0.00 -0.05 0.01 -0.00 -0.02 -0.01 0.00 0.01 0.04 -0.00 -0.09 0.05 -0.00 -0.11 0.03 -0.00 -0.06 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.02 -0.00 -0.05 0.02 0.01 -0.08 0.11 -0.03 -0.16 0.01 -0.03 -0.04 0.03 0.00 -0.03 0.09 -0.01 -0.10 0.07 -0.04 -0.12 -0.02 0.02 0.07 -0.00 0.03 0.08 0.07 0.02 -0.03 0.11 -0.01 -0.11 -0.06 0.03 0.13 -0.04 0.04 0.16 0.09 0.02 -0.03 0.01 -0.08 -0.07 -0.07 -0.08 0.05 -0.06 -0.05 0.06 0.08 -0.06 -0.15 -0.12 -0.04 0.13 0.02 -0.10 -0.10 -0.13 -0.09 0.13 0.07 -0.00 -0.13 -0.05 0.14 0.03 -0.12 0.08 0.03 -0.09 0.22 0.09 -0.21 0.09 0.09 -0.03 -0.01 -0.07 -0.05 -0.09 -0.09 0.06 0.09 -0.08 0.14 0.12 -0.08 -0.04 -0.00 0.09 -0.02 -0.00 0.06 -0.04 -0.00 0.08 -0.07 -0.00 0.16 -0.09 -0.00 0.22 -0.08 -0.00 0.17 -0.03 -0.00 0.07 -0.02 -0.00 0.05 -0.09 -0.00 0.20 -0.13 -0.00 0.30 -0.09 -0.00 0.22 -0.00 -0.00 0.01 -0.01 0.00 0.02 -0.03 0.02 0.01 0.03 -0.06 0.09 0.00 -0.03 -0.01 0.02 0.01 0.05 0.06 -0.02 0.03 -0.01 -0.07 0.09 0.01 0.05 0.08 0.06 0.07 0.07 0.12 0.04 0.01 0.11 -0.01 -0.00 -0.03 0.08 0.11 0.05 0.10 0.10 0.17 0.05 -0.02 -0.05 -0.10 0.07 -0.01 -0.07 -0.09 0.01 -0.04 -0.12 -0.04 -0.09 0.15 0.04 -0.01 -0.22 -0.08 -0.14 0.13 0.01 -0.07 -0.18 -0.01 -0.02 0.06 -0.11 0.17 0.01 -0.16 0.05 -0.15 -0.14 0.29 0.04 -0.23 0.05 -0.29 -0.09 -0.06 -0.11 -0.12 -0.20 -0.19 -0.03 0.12 0.14 0.06 0.18 0.24 0.01 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 0.01 0.02 0.00 -0.04 0.04 0.00 -0.09 0.03 0.00 -0.08 0.01 0.00 -0.04 -0.01 0.00 0.03 0.02 0.00 -0.04 0.06 0.00 -0.13 0.05 0.00 -0.11 0.00 -0.00 -0.01 -0.01 0.00 0.02 0.07 0.01 -0.13 -0.03 -0.00 0.06 -0.02 0.00 0.04 -0.05 -0.00 0.11 0.00 0.00 0.00 -0.03 -0.00 0.07 -0.10 -0.01 0.20 -0.03 -0.01 0.05 0.10 -0.00 -0.20 0.09 0.00 -0.18 -0.18 -0.01 0.35 -0.05 -0.01 0.09 0.20 -0.01 -0.40 -0.01 0.01 0.02 0.01 0.01 -0.02 0.01 0.01 -0.01 -0.03 0.00 0.06 0.03 0.01 -0.06 -0.00 0.01 0.01 0.03 0.02 -0.06 -0.02 -0.01 0.06 0.04 -0.02 -0.16 -0.05 0.00 0.10 0.10 -0.04 -0.33 -0.08 0.01 0.18 -0.09 0.01 0.24 -0.09 0.01 0.24 0.05 -0.03 -0.16 0.07 -0.03 -0.23 0.01 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.02 0.01 0.00 -0.03 0.01 0.00 -0.03 0.01 0.00 -0.02 0.00 0.00 -0.00 0.01 0.00 -0.02 0.02 0.00 -0.04 0.01 0.00 -0.04 -0.00 0.00 0.00 0.02 -0.00 -0.05 -0.11 -0.02 0.21 0.04 -0.00 -0.10 0.07 0.00 -0.16 0.05 0.00 -0.12 0.05 0.00 -0.10 0.02 -0.00 -0.05 0.03 0.00 -0.07 -0.02 0.00 0.02 -0.05 0.00 0.07 -0.00 0.00 -0.00 0.03 0.00 -0.08 -0.05 0.00 0.08 -0.10 0.00 0.18 -0.09 -0.02 0.23 0.02 -0.00 -0.02 0.10 0.01 -0.22 -0.07 -0.02 0.16 0.17 0.02 -0.35 -0.19 -0.04 0.47 0.03 0.00 -0.02 0.03 -0.00 -0.06 0.04 0.00 -0.09 -0.02 0.02 0.09 0.06 0.00 -0.15 -0.06 0.03 0.20 -0.02 0.02 0.10 -0.04 0.03 0.16 0.07 -0.01 -0.18 0.07 -0.00 -0.16 -0.02 0.00 0.06 -0.02 0.00 0.05 -0.03 0.00 0.04 -0.02 -0.00 0.03 -0.01 -0.00 0.01 -0.01 -0.00 0.03 -0.03 0.00 0.07 -0.03 0.00 0.05 -0.02 -0.00 0.03 -0.00 -0.01 -0.01 -0.00 -0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 -0.01 -0.01 -0.00 0.01 0.01 0.00 -0.03 0.01 0.00 -0.03 0.01 0.00 -0.02 -0.00 -0.00 -0.00 -0.02 -0.00 0.02 -0.01 -0.00 0.01 0.00 0.00 -0.02 -0.00 -0.00 0.00 -0.03 -0.00 0.05 -0.02 -0.00 0.02 0.02 0.00 -0.06 -0.01 -0.00 0.01 -0.02 -0.00 0.05 0.02 0.00 -0.06 -0.04 -0.01 0.09 0.04 0.01 -0.11 -0.01 -0.00 0.03 -0.01 0.00 0.02 0.01 -0.00 -0.02 0.01 -0.00 -0.02 0.02 -0.01 -0.05 0.01 -0.00 -0.03 -0.01 0.00 0.02 -0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.02 -0.11 0.00 0.24 -0.12 0.00 0.28 -0.11 0.00 0.24 0.01 -0.00 -0.04 0.10 -0.00 -0.24 0.02 0.00 -0.04 -0.15 0.01 0.34 -0.15 0.00 0.33 0.05 -0.00 -0.13 0.22 -0.01 -0.53 0.06 -0.00 -0.13 0.02 -0.00 -0.03 0.04 0.00 -0.09 -0.04 -0.01 0.09 -0.03 -0.02 0.02 0.07 -0.00 -0.12 0.06 0.01 -0.15 0.06 0.00 -0.13 0.05 0.01 -0.12 -0.01 0.06 -0.01 -0.04 0.07 0.12 0.03 0.06 0.03 0.09 0.02 -0.10 -0.07 0.09 0.03 -0.12 0.10 0.28 0.04 0.06 0.07 0.05 0.06 -0.00 0.02 0.03 0.14 0.05 -0.00 0.04 0.06 0.05 -0.12 0.04 -0.04 0.13 0.06 0.09 0.01 -0.02 0.02 0.29 -0.14 -0.03 0.27 -0.02 -0.09 -0.13 -0.01 -0.09 -0.16 0.03 -0.10 -0.29 0.06 -0.11 -0.35 -0.11 -0.04 0.15 -0.08 -0.08 0.04 -0.12 -0.05 0.20 -0.11 -0.07 0.09 0.01 0.00 0.00 0.02 0.00 -0.03 0.02 0.00 -0.05 0.00 -0.00 -0.01 -0.02 -0.01 0.05 -0.01 -0.01 0.04 0.01 0.00 0.01 0.04 0.00 -0.09 0.00 -0.01 -0.02 -0.03 -0.01 0.09 -0.02 -0.01 0.08 -0.00 -0.00 -0.00 -0.03 -0.03 0.01 -0.01 -0.03 -0.02 -0.05 -0.07 -0.06 -0.01 -0.04 0.04 -0.06 -0.00 0.01 -0.02 -0.04 0.01 -0.04 -0.02 0.02 -0.03 0.13 -0.01 0.08 0.17 0.02 0.12 0.12 0.06 0.09 0.00 0.06 -0.11 0.21 -0.06 0.10 0.25 0.01 0.19 0.14 0.09 0.09 0.15 0.04 0.15 0.10 0.05 0.11 -0.00 0.07 -0.02 0.10 0.02 0.19 -0.08 0.09 0.11 0.23 0.03 0.23 0.13 0.04 -0.03 -0.10 -0.17 -0.11 -0.11 0.03 -0.12 -0.11 0.05 -0.14 -0.10 0.12 -0.14 -0.10 0.15 -0.06 -0.11 -0.12 -0.09 -0.14 -0.08 -0.06 -0.12 -0.14 -0.11 -0.14 -0.11 -0.04 -0.04 -0.01 -0.01 -0.07 0.01 0.02 -0.05 0.03 0.03 0.00 0.02 0.01 0.03 -0.01 -0.03 0.01 -0.02 -0.07 -0.06 -0.03 0.04 -0.08 0.06 0.07 0.02 0.04 0.02 0.07 -0.02 -0.06 0.03 -0.05 0.00 0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 -0.01 0.01 -0.02 -0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.01 0.03 0.00 0.02 0.04 -0.00 0.03 0.02 0.01 0.02 0.00 0.02 -0.02 0.04 -0.01 0.03 0.05 -0.01 0.04 0.03 0.01 0.02 0.03 0.01 0.03 0.02 0.01 0.02 -0.00 0.01 -0.00 0.02 0.00 0.04 -0.02 0.02 0.02 0.04 0.01 0.04 0.03 0.01 -0.00 -0.02 -0.04 -0.02 -0.02 0.01 -0.02 -0.02 0.01 -0.03 -0.02 0.03 -0.03 -0.02 0.03 -0.01 -0.02 -0.03 -0.02 -0.03 -0.02 -0.01 -0.02 -0.03 -0.02 -0.03 -0.02 0.16 0.19 0.07 0.03 0.29 0.01 -0.12 0.23 -0.05 -0.16 0.01 -0.07 -0.01 -0.12 -0.01 0.15 -0.03 0.07 0.31 0.26 0.13 -0.24 0.33 -0.11 -0.30 -0.06 -0.13 -0.03 -0.27 -0.01 0.28 -0.14 0.12 -0.01 -0.05 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.10 -0.01 0.22 0.11 0.00 -0.20 0.10 0.00 -0.19 -0.09 -0.01 0.20 0.07 -0.00 -0.14 -0.07 -0.00 0.12 -0.07 -0.00 0.11 0.06 0.00 -0.13 0.09 -0.00 -0.17 -0.18 -0.01 0.32 -0.17 -0.00 0.29 0.04 0.02 -0.12 0.05 0.02 -0.14 -0.07 -0.01 0.14 -0.06 -0.01 0.14 -0.09 -0.01 0.16 0.12 0.03 -0.32 0.14 0.04 -0.36 0.02 -0.01 0.00 0.01 0.02 -0.02 -0.01 0.01 0.02 0.02 0.03 -0.04 -0.04 0.01 0.05 -0.01 -0.01 0.03 -0.01 -0.02 0.02 0.04 0.00 -0.03 0.04 0.01 -0.01 0.02 0.00 -0.03 0.01 0.01 -0.03 0.01 0.01 -0.01 -0.00 0.00 0.02 -0.00 -0.00 0.02 0.01 -0.00 -0.00 0.04 0.00 -0.05 0.00 0.01 -0.00 -0.02 -0.00 0.04 -0.01 -0.00 0.05 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 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 -0.01 -0.01 0.00 0.02 -0.01 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.24 0.07 -0.11 -0.14 0.02 -0.07 -0.25 -0.01 -0.12 -0.28 0.00 -0.12 -0.32 0.04 -0.14 -0.27 0.07 -0.12 -0.31 0.04 -0.15 -0.30 0.04 -0.14 -0.24 0.02 -0.10 -0.33 0.04 -0.13 -0.24 0.04 -0.10 0.15 -0.02 0.07 0.01 -0.04 0.00 0.11 -0.14 0.04 -0.02 0.02 -0.00 0.03 0.04 0.03 -0.04 -0.07 -0.04 -0.00 -0.11 -0.01 0.06 0.02 0.04 -0.03 0.04 -0.02 0.06 0.08 0.05 0.12 0.02 0.06 0.10 -0.08 0.03 -0.12 0.11 -0.05 0.06 0.16 0.07 0.18 0.04 0.09 -0.01 -0.12 -0.01 -0.05 -0.07 -0.04 -0.04 0.02 -0.01 0.05 -0.08 0.03 -0.09 0.08 -0.03 -0.01 -0.17 -0.02 -0.10 -0.09 -0.09 -0.19 0.20 -0.07 -0.04 -0.08 -0.01 0.10 0.08 0.03 -0.02 -0.27 -0.00 0.27 0.08 0.09 -0.01 0.26 -0.02 0.04 0.39 -0.01 -0.22 0.02 -0.07 -0.33 -0.04 -0.11 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.16 0.20 0.09 0.17 0.20 0.10 -0.01 -0.01 -0.00 0.13 0.10 0.07 0.07 0.15 0.03 -0.00 0.16 -0.00 0.16 0.02 0.08 0.05 -0.00 0.01 -0.06 -0.05 -0.03 -0.13 0.03 -0.06 -0.09 0.14 -0.06 0.14 -0.08 0.05 -0.09 -0.14 -0.03 -0.21 0.00 -0.10 0.05 -0.17 0.01 -0.04 -0.10 -0.03 -0.01 0.05 -0.01 0.16 -0.12 0.06 -0.10 0.15 -0.05 0.03 -0.27 -0.00 -0.13 -0.14 -0.07 -0.09 -0.07 -0.08 -0.13 -0.15 -0.01 -0.11 -0.12 -0.00 -0.15 -0.16 0.03 -0.09 -0.12 0.05 -0.11 -0.08 -0.08 -0.12 -0.07 -0.07 -0.12 -0.14 -0.08 -0.15 -0.16 -0.08 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 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 0.01 0.00 0.27 -0.25 0.12 0.01 -0.00 -0.01 0.02 0.18 0.02 -0.17 -0.04 -0.07 -0.08 -0.08 -0.04 0.08 0.08 0.04 -0.18 0.09 -0.08 -0.09 0.14 -0.06 -0.02 0.05 -0.01 -0.04 -0.07 -0.01 -0.27 0.16 -0.11 -0.06 0.22 -0.07 0.08 0.08 0.03 -0.03 -0.02 -0.01 -0.12 0.06 -0.04 -0.08 0.16 -0.04 0.08 0.02 0.03 -0.15 0.24 -0.07 -0.05 -0.13 -0.01 -0.21 0.02 -0.07 0.12 -0.11 0.05 0.04 0.06 0.01 -0.05 -0.04 -0.02 0.03 0.17 -0.01 -0.15 -0.04 -0.06 0.02 -0.15 0.03 -0.01 -0.24 0.02 0.15 -0.01 0.06 0.24 0.04 0.08 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.05 -0.04 0.04 -0.02 -0.01 -0.05 0.05 -0.03 -0.18 0.02 -0.14 0.08 -0.13 0.04 0.01 -0.07 0.05 -0.09 0.06 -0.11 -0.02 -0.15 0.14 -0.01 -0.10 0.15 -0.15 -0.14 0.14 -0.04 -0.15 0.07 -0.02 -0.21 0.18 0.00 -0.06 0.14 -0.24 -0.12 0.15 0.03 0.14 -0.12 0.07 0.22 -0.14 -0.02 0.13 -0.15 0.11 0.04 -0.14 0.07 0.16 -0.21 0.17 0.12 -0.06 0.14 0.26 -0.13 -0.12 -0.00 0.03 0.04 0.06 0.05 -0.03 0.06 0.05 -0.03 0.08 0.03 -0.08 0.08 0.05 -0.08 0.02 0.06 0.08 0.05 0.11 0.07 0.01 0.06 0.08 0.04 0.08 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 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.04 -0.02 -0.13 -0.05 -0.03 0.06 -0.17 -0.00 0.37 0.07 -0.05 -0.11 0.01 0.02 -0.14 -0.10 0.01 0.11 -0.05 -0.05 0.14 -0.03 0.06 -0.09 -0.14 0.07 0.10 -0.02 0.05 -0.11 -0.03 0.02 -0.08 -0.02 0.08 -0.14 -0.23 0.06 0.25 0.10 0.06 -0.26 0.09 -0.05 -0.06 0.02 -0.09 0.17 0.09 -0.06 -0.03 0.04 -0.06 -0.04 0.13 -0.07 -0.07 0.17 0.01 -0.23 -0.05 -0.11 0.33 0.03 0.01 -0.04 0.02 0.05 0.07 0.02 0.05 0.07 -0.01 0.05 0.15 -0.02 0.06 0.15 0.07 0.02 -0.09 0.07 0.05 -0.05 0.06 0.03 -0.10 0.07 0.05 -0.05 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.01 0.00 0.02 0.01 -0.00 -0.03 -0.00 -0.00 0.01 0.00 -0.00 -0.01 0.02 0.00 -0.03 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 0.01 -0.00 -0.01 0.00 0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.02 -0.00 0.03 0.01 0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.01 0.00 0.02 -0.00 0.00 0.02 -0.02 0.00 0.04 0.01 -0.00 -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 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.08 0.00 0.18 0.00 0.00 -0.01 0.08 -0.00 -0.18 -0.08 -0.00 0.19 0.00 -0.00 -0.00 0.08 -0.00 -0.19 -0.19 0.01 0.42 0.18 -0.00 -0.41 -0.18 -0.00 0.42 -0.00 -0.00 0.00 0.17 -0.01 -0.41 -0.00 -0.00 0.00 0.14 -0.12 0.04 0.30 -0.29 0.14 -0.08 0.08 -0.04 0.01 -0.16 -0.03 0.16 0.02 0.06 -0.01 0.23 0.00 -0.21 -0.02 -0.11 0.17 0.04 0.12 0.09 0.04 0.04 -0.05 0.19 -0.05 -0.06 0.26 0.01 0.13 0.05 0.15 0.06 -0.13 0.02 -0.15 0.15 -0.13 -0.19 0.05 -0.08 -0.02 -0.10 -0.04 -0.03 -0.20 -0.01 -0.25 0.02 -0.08 -0.05 -0.19 0.03 -0.17 0.17 -0.07 0.12 -0.04 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.01 -0.01 0.00 -0.00 -0.02 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.02 0.01 0.00 -0.02 -0.01 -0.00 0.02 -0.00 -0.00 0.00 0.01 -0.00 -0.02 0.00 0.00 -0.00 0.09 0.02 -0.18 -0.04 0.01 0.05 0.01 -0.00 -0.01 0.07 0.03 -0.15 0.08 0.00 -0.16 0.02 -0.01 -0.02 0.02 0.01 -0.01 -0.10 -0.02 0.17 0.04 -0.01 -0.06 0.07 -0.02 -0.10 -0.09 -0.01 0.20 -0.25 -0.02 0.46 0.05 -0.00 -0.08 0.13 -0.02 -0.21 0.04 0.02 -0.10 0.01 0.02 -0.07 -0.09 -0.00 0.17 -0.07 -0.01 0.20 -0.22 -0.03 0.45 0.09 0.01 -0.23 0.02 0.02 -0.09 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.01 -0.03 0.00 0.07 0.00 -0.00 -0.01 -0.02 0.00 0.06 0.01 -0.00 -0.02 -0.00 -0.00 0.01 -0.01 0.00 0.02 0.01 -0.00 -0.02 -0.00 0.00 0.01 -0.01 0.00 0.02 0.02 -0.00 -0.06 -0.02 0.00 0.04 0.03 0.00 -0.06 -0.01 -0.00 0.01 -0.01 0.00 0.04 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.02 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.01 0.01 0.00 -0.01 0.02 0.00 -0.04 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.02 -0.00 -0.05 -0.14 0.00 0.31 0.02 0.00 -0.06 0.05 0.00 -0.12 -0.09 0.00 0.20 0.06 -0.00 -0.13 0.13 -0.01 -0.31 0.14 -0.00 -0.32 0.17 0.00 -0.40 -0.15 0.00 0.37 0.17 -0.01 -0.41 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.07 -0.02 0.16 0.08 0.00 -0.15 0.09 0.00 -0.17 -0.08 -0.01 0.17 -0.08 -0.00 0.15 0.06 -0.00 -0.11 0.00 0.00 -0.01 -0.07 0.01 0.14 -0.27 -0.01 0.50 0.06 -0.00 -0.10 -0.06 0.00 0.11 -0.00 -0.00 0.01 -0.05 -0.02 0.12 0.07 0.02 -0.16 0.06 0.01 -0.15 0.23 0.06 -0.52 0.05 0.01 -0.11 -0.05 -0.02 0.11 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 0.02 0.07 -0.01 0.00 0.01 0.01 -0.01 -0.07 0.00 -0.00 -0.00 -0.01 0.00 0.02 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.01 0.00 0.02 0.01 -0.00 -0.01 0.01 -0.00 -0.03 0.01 -0.00 -0.03 0.01 0.00 -0.02 -0.01 -0.00 0.03 0.01 0.00 -0.04 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.08 -0.01 0.18 0.09 0.00 -0.18 -0.06 -0.00 0.12 0.06 0.01 -0.12 0.02 0.00 -0.04 -0.07 -0.00 0.13 0.08 -0.00 -0.15 -0.06 -0.00 0.10 -0.01 0.00 0.02 -0.16 -0.00 0.30 0.24 -0.00 -0.44 -0.06 -0.02 0.16 0.06 0.02 -0.13 -0.02 0.00 0.04 0.05 0.01 -0.11 0.01 0.01 -0.02 -0.19 -0.05 0.47 0.13 0.03 -0.31 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 -0.01 0.00 -0.00 -0.01 -0.01 -0.00 0.02 0.00 -0.00 0.01 0.01 -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 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.13 -0.15 -0.03 -0.12 -0.16 -0.09 -0.06 0.06 0.27 -0.03 0.08 -0.03 0.08 -0.03 0.03 0.10 0.06 -0.09 0.10 0.06 -0.09 0.08 0.03 0.13 0.08 0.00 -0.09 -0.11 0.07 0.05 -0.02 0.07 -0.08 -0.00 0.02 0.30 0.05 -0.14 -0.11 -0.28 0.06 0.31 0.04 -0.07 0.11 0.04 0.03 -0.10 -0.02 0.13 0.09 0.09 -0.04 -0.02 -0.10 0.12 0.26 -0.08 -0.13 0.38 -0.08 -0.02 -0.16 -0.01 0.02 0.06 -0.03 -0.02 0.02 -0.03 -0.02 0.02 -0.04 -0.00 0.07 -0.04 -0.01 0.07 0.00 -0.02 -0.08 -0.02 -0.04 -0.05 0.02 -0.03 -0.07 -0.01 -0.04 -0.05 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.09 0.14 0.10 0.14 0.17 0.05 -0.14 -0.04 0.23 0.05 -0.08 0.00 -0.07 0.03 -0.05 0.03 -0.07 -0.12 -0.01 -0.03 -0.14 -0.16 -0.03 0.00 0.02 0.01 -0.12 0.01 -0.08 0.11 0.08 -0.08 -0.03 -0.25 -0.02 0.16 0.05 0.15 -0.10 -0.08 -0.06 0.41 -0.12 0.05 0.06 0.06 -0.03 -0.10 -0.03 -0.14 0.06 -0.06 0.05 -0.09 -0.10 -0.17 0.23 -0.23 0.07 0.35 0.18 0.02 -0.04 -0.03 -0.01 0.05 0.01 0.03 0.02 0.02 0.03 0.03 0.01 0.02 0.06 -0.01 0.03 0.06 0.05 0.00 -0.05 0.04 0.03 -0.01 0.03 0.02 -0.06 0.04 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 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.19 -0.24 0.09 -0.01 -0.14 -0.01 -0.24 -0.19 -0.10 -0.20 0.27 -0.09 0.01 0.14 0.01 0.26 0.21 0.11 0.04 -0.31 0.03 -0.11 -0.29 -0.07 -0.06 0.33 -0.03 -0.03 -0.27 -0.01 0.14 0.31 0.05 -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 0.01 0.01 -0.01 0.01 0.01 -0.01 0.00 0.01 0.01 0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.01 -0.01 -0.01 -0.00 0.02 0.01 -0.00 -0.02 -0.01 -0.00 0.01 0.01 -0.01 -0.00 0.01 0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.01 -0.02 -0.00 -0.01 -0.01 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 0.08 -0.03 -0.25 -0.08 0.03 0.25 0.20 -0.07 -0.60 -0.19 0.06 0.58 0.06 -0.02 -0.19 0.01 0.01 -0.03 -0.06 0.02 0.19 -0.02 0.01 0.04 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 -0.06 0.06 -0.03 0.01 -0.01 0.01 -0.10 0.10 -0.05 -0.04 0.15 -0.01 -0.14 0.03 -0.07 -0.09 0.11 -0.05 -0.11 0.09 -0.04 -0.16 -0.23 -0.09 0.14 -0.13 0.08 0.12 -0.06 0.06 0.15 0.22 0.08 -0.19 -0.20 -0.13 0.19 0.12 0.11 -0.10 -0.14 -0.06 0.07 -0.13 0.02 0.15 -0.14 0.04 0.18 0.21 0.10 -0.17 -0.20 -0.09 0.14 0.25 0.10 0.11 0.13 0.06 -0.07 -0.24 -0.06 0.02 -0.02 0.01 0.01 0.02 -0.03 -0.03 0.00 0.02 0.02 0.06 -0.09 -0.09 0.01 0.05 0.02 -0.04 -0.02 -0.00 -0.05 0.01 0.02 -0.00 0.04 0.05 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.04 -0.04 -0.01 -0.05 -0.06 -0.03 -0.12 -0.13 -0.01 0.01 -0.12 -0.00 -0.11 -0.01 -0.06 -0.12 0.14 -0.06 0.15 -0.12 0.06 -0.14 -0.21 -0.07 0.14 -0.11 0.07 0.04 0.05 0.03 0.10 0.31 0.04 -0.22 -0.14 -0.10 0.17 0.05 0.10 -0.23 -0.04 -0.09 0.04 0.06 0.03 -0.12 0.15 -0.04 -0.17 -0.19 -0.09 0.27 0.15 0.12 -0.10 -0.26 -0.06 -0.01 -0.25 0.01 0.01 0.20 0.03 -0.03 -0.04 -0.00 0.02 0.03 0.01 0.03 0.03 0.01 0.03 -0.01 -0.01 -0.00 0.03 -0.02 0.04 -0.00 0.01 0.06 0.08 0.05 -0.00 0.04 -0.01 0.06 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 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 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 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.03 0.09 0.24 0.04 0.33 -0.04 0.15 0.03 -0.26 0.02 0.01 -0.26 0.01 -0.31 0.04 -0.13 0.06 0.24 0.03 -0.16 0.13 -0.09 -0.18 -0.08 -0.10 0.33 -0.11 0.12 -0.30 0.04 -0.14 0.34 0.03 0.13 -0.02 0.00 -0.01 0.16 -0.16 0.07 -0.14 0.14 -0.06 -0.19 0.18 -0.08 0.23 0.04 0.10 -0.00 -0.25 -0.00 -0.22 -0.11 -0.12 0.06 0.26 0.05 0.05 -0.05 0.02 0.18 0.04 0.10 -0.00 0.19 -0.00 -0.08 -0.07 -0.04 -0.19 0.18 -0.10 0.15 -0.09 0.09 0.03 0.21 0.01 -0.18 -0.02 -0.08 -0.01 -0.20 -0.02 0.05 -0.04 0.02 0.05 0.10 0.03 -0.18 0.18 -0.06 -0.18 -0.06 -0.08 0.10 -0.16 0.03 0.02 -0.02 0.00 0.01 0.02 -0.00 -0.02 -0.01 0.00 0.01 0.07 -0.02 -0.07 -0.01 -0.02 0.02 -0.05 0.01 0.01 -0.10 0.01 0.05 -0.02 0.02 0.10 0.01 0.04 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -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 -0.04 0.00 0.09 0.05 -0.00 -0.11 -0.04 -0.00 0.09 0.06 -0.00 -0.15 -0.04 0.00 0.09 0.06 -0.00 -0.14 -0.21 0.01 0.47 -0.22 0.00 0.49 -0.02 -0.00 0.05 -0.23 0.00 0.54 -0.01 0.00 0.04 0.00 0.00 -0.00 -0.07 -0.01 0.15 0.02 0.00 -0.04 0.04 0.02 -0.06 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.04 0.00 -0.08 0.04 0.01 -0.08 0.01 -0.00 -0.06 -0.03 0.00 0.05 0.04 -0.00 -0.06 -0.04 0.00 0.08 -0.00 -0.00 -0.04 -0.07 0.02 0.12 0.08 -0.01 -0.15 0.02 0.01 -0.06 -0.02 -0.01 0.05 0.02 -0.01 -0.05 -0.03 -0.00 0.08 0.01 -0.01 -0.03 0.06 0.02 -0.16 -0.04 -0.01 0.13 -0.11 0.03 0.33 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.17 0.07 0.51 -0.17 0.05 0.53 0.04 -0.01 -0.14 0.04 -0.03 -0.15 0.05 -0.02 -0.14 0.03 -0.03 -0.14 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.00 0.00 -0.00 -0.10 -0.01 0.21 0.03 0.01 -0.05 -0.04 -0.01 0.06 0.01 0.01 -0.03 0.02 -0.00 -0.03 0.04 -0.00 -0.09 0.03 -0.00 -0.09 0.04 0.00 -0.05 -0.01 0.00 0.02 0.03 0.01 -0.06 -0.04 -0.00 0.07 -0.07 0.00 0.14 -0.16 -0.01 0.30 0.00 0.01 -0.00 0.03 0.01 -0.06 -0.01 0.00 0.02 0.03 0.01 -0.06 -0.03 -0.01 0.07 -0.06 -0.01 0.15 0.01 0.00 0.01 -0.14 -0.03 0.31 0.03 -0.02 -0.10 -0.02 0.01 0.05 -0.01 0.01 0.05 0.16 -0.06 -0.47 0.16 -0.05 -0.50 -0.00 -0.00 0.02 -0.04 0.03 0.15 -0.01 0.01 0.02 -0.03 0.02 0.13 0.00 0.00 -0.01 -0.01 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.01 0.00 0.02 -0.00 -0.00 0.01 -0.02 -0.00 0.05 -0.02 -0.00 0.04 -0.03 0.00 0.06 0.00 -0.00 -0.00 -0.03 -0.00 0.06 0.01 0.00 -0.02 -0.03 -0.01 0.05 0.00 0.00 -0.02 0.01 -0.00 -0.02 0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.01 0.00 -0.01 0.01 -0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.00 0.01 -0.05 0.00 0.10 -0.07 -0.01 0.14 -0.03 0.01 0.05 0.01 0.00 -0.01 0.00 0.01 -0.01 0.01 0.01 -0.02 -0.01 -0.01 0.01 -0.04 -0.01 0.10 -0.02 -0.01 0.06 -0.07 -0.01 0.14 0.04 -0.01 -0.13 0.03 -0.01 -0.10 0.04 -0.01 -0.10 -0.19 0.08 0.59 -0.20 0.07 0.63 -0.03 0.01 0.08 -0.02 0.01 0.08 -0.03 0.01 0.08 -0.02 0.01 0.08 0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.02 -0.01 0.00 0.02 -0.03 0.00 0.06 -0.02 -0.00 0.05 -0.03 0.00 0.06 0.00 -0.00 -0.00 0.01 0.00 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 0.01 0.00 -0.02 0.02 0.00 -0.04 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.01 0.00 -0.02 0.00 0.00 -0.01 0.01 0.00 -0.04 -0.01 0.00 0.02 -0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.03 0.01 -0.00 -0.03 0.00 -0.00 -0.01 -0.01 0.00 0.02 0.00 -0.00 -0.01 0.01 -0.00 -0.02 0.04 -0.00 -0.08 -0.06 0.00 0.13 0.04 -0.00 -0.09 0.00 -0.00 -0.01 0.04 0.00 -0.10 0.00 0.00 -0.00 -0.07 0.00 0.15 -0.08 0.00 0.19 -0.24 -0.01 0.55 -0.18 0.00 0.43 -0.21 0.01 0.51 0.00 -0.00 -0.00 -0.07 -0.08 -0.01 -0.08 -0.10 -0.05 0.18 0.23 0.09 0.12 -0.02 0.06 -0.04 0.13 -0.01 0.16 0.11 0.07 0.07 0.19 0.04 -0.14 0.01 -0.08 -0.18 0.01 -0.09 0.05 -0.19 0.02 0.12 0.08 0.07 -0.01 -0.11 -0.01 -0.13 0.30 -0.06 0.03 -0.20 0.00 -0.18 0.03 -0.08 0.04 -0.20 0.00 0.04 -0.16 -0.01 0.05 0.15 0.05 -0.10 -0.04 -0.04 -0.19 -0.00 -0.09 0.29 -0.10 0.14 0.11 0.09 -0.04 -0.05 -0.08 -0.02 -0.07 -0.06 -0.02 -0.06 0.04 -0.04 0.05 -0.07 0.00 -0.09 0.03 -0.01 -0.15 -0.13 -0.05 0.03 -0.08 0.04 -0.10 -0.17 -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 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.04 0.01 -0.08 -0.04 -0.00 0.08 0.08 0.00 -0.16 -0.07 -0.01 0.17 0.01 0.00 -0.02 -0.05 -0.00 0.10 0.02 0.00 -0.04 -0.05 0.00 0.08 0.19 0.01 -0.35 0.17 -0.00 -0.32 0.18 -0.00 -0.34 -0.02 -0.00 0.04 0.04 0.01 -0.10 -0.01 -0.00 0.02 0.04 0.01 -0.09 -0.16 -0.04 0.35 -0.15 -0.04 0.35 -0.13 -0.03 0.32 -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 -0.03 0.02 0.09 -0.00 0.00 0.00 0.02 -0.00 -0.08 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.04 -0.00 -0.09 0.02 0.00 -0.03 0.01 0.00 -0.03 -0.05 0.00 0.11 -0.05 -0.01 0.11 0.01 0.00 -0.02 0.04 -0.00 -0.07 0.00 -0.00 -0.01 0.02 0.00 -0.03 -0.16 -0.01 0.29 -0.25 0.00 0.45 -0.14 0.00 0.27 -0.00 0.00 -0.01 0.03 0.00 -0.08 0.01 0.00 -0.02 0.02 0.01 -0.03 -0.14 -0.03 0.30 -0.12 -0.03 0.28 -0.19 -0.05 0.46 -0.02 0.01 0.06 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.01 -0.00 -0.02 0.01 -0.00 -0.02 0.00 -0.00 -0.02 0.02 -0.01 -0.08 0.01 -0.00 -0.02 0.02 -0.01 -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 -0.04 -0.01 0.09 0.05 0.00 -0.09 -0.03 -0.00 0.06 0.02 0.00 -0.06 -0.04 -0.00 0.07 -0.01 0.00 0.02 -0.04 0.00 0.07 0.03 -0.00 -0.05 0.07 0.00 -0.14 0.29 0.00 -0.53 0.10 -0.00 -0.18 0.03 0.01 -0.07 0.01 0.00 -0.03 0.03 0.01 -0.07 -0.02 -0.01 0.05 -0.07 -0.02 0.16 -0.08 -0.02 0.20 -0.24 -0.06 0.56 0.00 0.00 -0.00 0.01 -0.00 -0.02 -0.00 0.00 0.02 -0.01 0.00 0.04 0.02 -0.01 -0.04 -0.00 0.00 0.01 0.06 -0.03 -0.16 0.00 0.00 -0.01 -0.04 0.01 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 0.01 0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.01 0.00 -0.01 0.02 0.01 -0.04 0.00 0.00 -0.00 0.01 -0.00 -0.03 -0.01 -0.00 0.03 -0.03 0.01 0.11 0.04 -0.01 -0.10 -0.01 0.00 0.01 0.07 -0.03 -0.20 0.00 -0.00 -0.00 -0.02 0.00 0.06 0.03 -0.00 -0.07 -0.00 0.00 0.00 -0.03 0.00 0.07 -0.03 0.00 0.06 0.00 -0.00 -0.01 0.03 -0.00 -0.06 -0.21 0.01 0.46 0.20 -0.00 -0.45 0.17 0.00 -0.39 -0.02 -0.00 0.04 -0.18 0.01 0.43 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.02 0.01 0.00 -0.01 -0.01 0.00 0.02 0.01 0.00 -0.01 -0.00 0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 -0.02 0.02 -0.00 -0.01 0.02 0.00 -0.06 -0.00 -0.01 0.01 -0.00 0.00 -0.01 0.00 -0.01 -0.00 0.01 0.00 -0.01 -0.01 0.00 0.02 -0.01 0.01 0.01 -0.01 0.00 0.00 -0.03 -0.01 0.07 -0.01 -0.01 0.00 -0.04 0.01 0.11 0.04 -0.01 -0.11 0.15 -0.07 -0.47 -0.17 0.06 0.46 0.02 -0.01 -0.02 -0.16 0.08 0.50 -0.01 0.00 0.01 0.10 -0.01 -0.30 0.01 0.00 -0.02 -0.00 0.00 -0.00 -0.01 -0.00 0.03 -0.01 -0.00 0.02 -0.00 0.00 -0.00 0.01 0.00 -0.02 -0.06 0.00 0.13 0.06 0.01 -0.16 0.06 0.00 -0.12 -0.00 0.00 0.00 -0.05 0.00 0.12 -0.00 -0.00 -0.00 0.01 -0.02 -0.07 -0.03 -0.03 -0.00 -0.11 -0.13 -0.05 0.02 0.04 0.07 0.00 0.05 0.07 0.02 0.03 -0.02 0.03 0.01 -0.02 0.05 0.07 0.02 -0.08 0.01 -0.05 0.03 -0.09 -0.01 0.05 0.03 0.03 0.18 -0.04 0.05 -0.13 0.02 0.06 -0.01 -0.09 0.08 -0.07 0.01 -0.06 0.02 -0.09 -0.00 0.06 0.06 0.02 0.02 0.06 0.02 -0.04 0.17 -0.04 -0.11 0.00 0.03 -0.02 -0.10 0.11 -0.10 -0.11 -0.01 0.04 0.04 -0.04 0.03 0.04 0.04 -0.04 -0.14 0.29 -0.13 0.02 -0.24 0.11 -0.08 0.01 0.03 0.21 0.50 -0.08 0.09 -0.05 -0.00 0.23 0.38 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.00 0.04 0.02 -0.00 -0.04 0.01 0.00 -0.03 0.00 0.00 -0.00 -0.01 -0.00 0.03 0.00 -0.00 -0.00 -0.13 -0.02 0.23 0.01 -0.01 -0.06 -0.03 -0.07 -0.08 0.11 0.04 -0.18 0.11 0.03 -0.18 -0.05 0.01 0.10 -0.03 -0.00 0.11 0.00 0.03 0.05 -0.05 0.00 0.00 -0.03 -0.04 0.08 0.05 0.01 -0.04 0.02 -0.02 0.14 0.20 0.01 -0.45 0.11 -0.04 -0.18 -0.07 -0.00 0.06 -0.00 -0.04 0.02 0.01 0.02 0.05 0.03 0.03 -0.05 -0.07 0.07 0.09 0.05 0.03 -0.22 0.21 0.01 -0.46 -0.05 -0.05 -0.00 0.01 0.02 0.01 0.02 0.01 -0.00 0.04 -0.09 -0.05 -0.09 0.02 0.02 0.04 -0.03 0.03 0.16 0.02 -0.20 -0.04 0.04 -0.01 0.09 0.08 -0.13 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.00 -0.05 -0.02 -0.00 0.04 -0.01 -0.00 0.02 0.00 -0.00 -0.01 0.01 0.00 -0.03 -0.00 -0.00 0.00 -0.01 0.00 0.03 0.01 0.01 -0.00 0.03 0.03 -0.01 0.00 -0.01 -0.02 0.01 -0.01 -0.03 -0.02 -0.00 0.03 -0.01 0.00 0.01 -0.02 -0.01 0.01 0.01 -0.00 0.01 -0.01 0.01 0.01 0.01 -0.01 -0.03 -0.03 0.01 -0.02 0.06 -0.00 -0.09 -0.00 0.02 0.00 0.02 -0.00 0.02 -0.00 0.02 0.00 -0.01 -0.02 -0.01 -0.00 -0.01 -0.00 0.00 -0.04 0.02 0.03 -0.00 -0.02 0.01 0.02 -0.03 0.02 0.02 0.02 -0.01 -0.01 -0.06 -0.03 0.01 0.04 -0.16 0.11 0.37 0.13 -0.03 -0.34 0.01 0.01 -0.06 -0.28 0.10 0.73 0.01 -0.03 0.03 0.02 -0.07 -0.15 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 0.02 0.00 -0.05 0.01 -0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 -0.00 0.04 0.02 -0.01 0.00 -0.00 -0.02 0.00 -0.01 -0.02 -0.00 -0.00 0.02 -0.01 -0.00 0.02 -0.01 -0.01 -0.00 0.01 -0.00 0.01 -0.01 0.02 0.00 -0.00 -0.00 -0.01 -0.04 0.01 -0.01 0.03 -0.00 -0.02 -0.01 0.02 -0.00 0.01 -0.00 0.01 -0.00 0.01 0.01 -0.01 -0.01 0.01 0.01 -0.00 -0.03 0.01 -0.02 -0.01 -0.00 -0.00 0.03 0.03 0.02 -0.07 0.00 0.02 0.02 0.02 -0.01 0.02 -0.00 -0.04 -0.02 0.07 -0.00 -0.13 -0.03 -0.02 0.19 -0.03 0.01 -0.02 -0.13 0.02 0.23 0.03 0.01 -0.05 -0.28 0.06 0.87 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.03 0.03 -0.01 0.01 -0.01 0.01 -0.09 0.10 -0.05 -0.03 -0.01 -0.02 0.01 0.03 0.00 -0.04 0.02 -0.02 -0.03 0.04 0.00 0.04 0.04 0.02 -0.00 0.00 -0.00 0.02 -0.06 0.01 0.01 -0.04 0.01 0.10 -0.01 0.06 -0.00 0.01 0.00 0.06 -0.06 0.03 0.07 -0.02 0.03 -0.00 0.01 0.00 -0.03 -0.06 -0.02 0.04 -0.01 0.00 0.03 -0.12 -0.01 0.06 -0.05 0.04 -0.00 0.01 -0.02 0.06 -0.06 0.03 -0.28 -0.01 -0.08 -0.01 0.28 -0.05 -0.25 0.01 -0.20 -0.05 0.30 0.07 0.19 0.00 0.07 0.23 -0.07 -0.03 0.03 -0.21 0.00 -0.04 -0.18 0.41 0.02 -0.00 -0.04 -0.01 -0.00 0.02 0.02 -0.00 -0.04 -0.00 0.00 0.01 -0.02 -0.00 0.04 -0.00 -0.00 0.01 -0.10 0.01 0.21 -0.10 -0.00 0.23 0.02 0.00 -0.06 0.09 -0.00 -0.22 0.01 -0.00 -0.03 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 0.01 -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 0.00 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 -0.01 0.01 -0.01 0.01 -0.01 0.01 -0.00 0.04 0.00 0.01 0.00 -0.04 0.01 0.04 0.01 0.03 0.01 -0.05 -0.02 -0.03 -0.00 -0.01 -0.04 0.01 0.02 -0.00 0.03 0.00 0.01 0.02 -0.06 0.04 -0.00 -0.09 -0.02 0.00 0.04 0.04 0.00 -0.09 -0.01 -0.00 0.02 -0.04 0.00 0.08 -0.00 0.00 0.01 -0.23 0.01 0.51 -0.23 0.00 0.51 0.06 0.00 -0.13 0.20 -0.00 -0.51 0.03 -0.00 -0.07 0.00 -0.00 -0.00 0.18 -0.17 0.08 -0.06 0.06 -0.03 0.24 -0.23 0.11 0.12 -0.01 0.05 0.02 -0.13 0.01 0.11 -0.03 0.06 0.05 -0.12 0.01 -0.14 -0.09 -0.08 -0.08 0.02 -0.05 -0.05 0.14 -0.02 0.02 0.14 0.01 -0.31 0.04 -0.15 -0.09 0.05 -0.04 -0.09 0.13 -0.08 -0.14 0.04 -0.06 -0.03 0.09 -0.00 0.06 0.18 0.05 -0.12 -0.03 -0.06 -0.08 0.33 -0.01 -0.16 0.09 -0.03 -0.06 0.09 -0.03 0.03 -0.04 0.02 -0.15 -0.03 -0.05 0.02 0.16 -0.01 -0.15 -0.17 -0.03 0.15 0.17 0.04 0.06 0.03 0.02 0.04 -0.04 0.01 -0.03 -0.07 -0.01 0.02 -0.03 0.08 0.01 -0.00 -0.02 -0.00 0.00 0.01 0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.05 0.00 0.12 -0.04 0.00 0.08 0.02 -0.00 -0.05 0.04 0.00 -0.09 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.23 -0.23 0.10 -0.05 0.05 -0.02 -0.16 0.16 -0.07 0.11 -0.08 0.03 0.08 -0.10 0.05 -0.06 0.04 -0.04 -0.05 0.06 -0.01 -0.00 0.09 -0.00 -0.23 0.07 -0.12 0.07 -0.18 0.04 0.12 0.10 0.07 0.06 0.02 0.03 -0.18 0.33 -0.09 0.11 -0.17 0.07 0.18 -0.05 0.07 -0.11 0.24 -0.02 -0.08 -0.01 -0.04 -0.07 -0.15 -0.05 -0.02 -0.06 -0.01 0.18 -0.10 0.06 -0.34 0.16 -0.12 -0.02 0.02 -0.01 0.08 0.03 0.02 -0.02 -0.08 0.00 0.08 0.13 -0.00 -0.12 -0.08 -0.02 -0.02 -0.02 -0.01 -0.00 0.03 -0.02 0.01 0.02 0.00 -0.04 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.02 -0.01 0.00 0.02 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.02 -0.01 0.00 0.02 0.01 -0.00 -0.01 -0.02 -0.00 0.04 -0.03 0.00 0.05 0.06 0.00 -0.11 -0.01 -0.00 0.01 0.13 0.00 -0.23 0.10 0.00 -0.19 -0.33 0.01 0.60 -0.04 -0.01 0.09 0.02 0.00 -0.04 0.02 0.00 -0.03 0.00 0.00 -0.01 -0.09 -0.02 0.20 0.21 0.06 -0.50 -0.07 -0.02 0.15 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.04 0.00 -0.00 -0.00 -0.01 0.00 0.04 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.02 0.01 0.00 -0.02 -0.01 0.00 0.02 -0.01 -0.00 0.02 -0.01 0.00 0.03 -0.02 0.00 0.04 0.05 -0.00 -0.09 -0.00 -0.00 0.01 0.09 0.00 -0.16 0.09 0.00 -0.17 -0.26 0.00 0.48 0.05 0.01 -0.12 -0.02 -0.00 0.05 -0.02 -0.00 0.04 -0.01 -0.00 0.01 0.10 0.03 -0.22 -0.27 -0.07 0.63 0.09 0.03 -0.21 -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 -0.04 0.00 -0.00 0.00 0.02 -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 -0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.02 0.00 0.00 0.00 -0.01 -0.00 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.02 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 -0.01 -0.00 0.00 0.02 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.03 -0.00 0.00 -0.00 0.01 0.01 0.00 0.05 -0.05 -0.07 -0.03 0.00 -0.01 -0.01 0.04 0.09 0.05 -0.03 -0.09 -0.04 0.01 0.00 -0.02 0.03 0.09 -0.18 -0.04 0.40 0.20 0.05 -0.41 -0.23 -0.04 0.52 0.00 0.01 -0.11 0.19 0.02 -0.42 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 0.01 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.03 0.01 -0.00 -0.04 -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 0.04 -0.01 0.02 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.03 0.00 -0.00 0.00 0.00 -0.01 -0.04 -0.08 0.27 -0.08 0.17 -0.02 0.08 -0.17 -0.24 -0.02 -0.03 0.16 -0.09 0.24 -0.03 0.14 -0.10 -0.14 -0.01 -0.15 0.29 0.14 -0.03 -0.26 -0.30 -0.20 0.16 0.35 0.33 -0.03 -0.08 -0.03 -0.15 -0.14 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 -0.01 -0.03 0.00 -0.07 -0.01 0.05 0.05 0.03 -0.03 -0.00 -0.02 0.01 -0.05 0.01 0.03 0.03 0.02 0.11 -0.01 0.07 -0.04 -0.05 -0.02 -0.00 -0.06 -0.01 -0.05 0.01 -0.02 0.00 -0.03 -0.00 0.04 0.06 0.02 0.02 0.04 0.01 -0.02 0.11 0.02 -0.05 -0.02 -0.04 -0.04 -0.05 -0.02 0.01 0.01 0.01 -0.02 0.02 -0.00 0.02 -0.01 0.01 -0.07 0.61 -0.11 0.61 -0.03 0.20 -0.09 0.10 -0.05 -0.15 0.03 -0.02 0.11 -0.09 0.04 0.04 -0.12 0.06 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.01 0.01 -0.02 -0.00 -0.00 0.02 0.00 0.00 -0.03 -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 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -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 0.01 -0.00 -0.02 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.02 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.04 0.01 -0.00 0.00 0.00 -0.01 -0.02 -0.03 0.01 0.06 0.05 -0.00 -0.10 -0.05 -0.01 0.09 -0.11 0.03 0.25 -0.06 -0.02 0.14 0.16 0.02 -0.37 -0.22 -0.00 0.57 0.22 -0.03 -0.53 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.02 -0.01 -0.00 0.02 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.05 0.00 -0.09 -0.03 -0.00 0.07 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.30 0.00 0.52 0.18 -0.00 -0.33 -0.05 -0.00 0.09 -0.01 -0.00 0.02 0.03 0.01 -0.06 -0.04 -0.01 0.09 -0.00 0.00 0.00 0.22 0.06 -0.52 0.04 0.01 -0.09 -0.14 -0.04 0.33 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.02 -0.01 0.00 0.02 -0.00 0.00 0.00 0.02 0.00 -0.04 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.02 -0.00 0.04 -0.02 -0.00 0.04 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.05 0.00 -0.09 -0.03 -0.00 0.06 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.29 0.00 0.50 0.16 -0.00 -0.29 -0.04 -0.00 0.07 0.01 0.00 -0.01 -0.03 -0.01 0.06 0.04 0.01 -0.10 0.00 -0.00 -0.00 -0.24 -0.07 0.56 -0.04 -0.01 0.08 0.14 0.03 -0.33 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.02 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 -0.02 0.09 -0.07 0.04 0.15 -0.02 0.07 0.10 0.04 0.04 -0.04 0.25 -0.03 -0.21 0.03 -0.09 -0.10 -0.23 -0.04 0.34 0.03 0.16 0.32 -0.12 0.13 0.21 0.40 0.13 -0.23 0.03 -0.12 0.12 -0.43 0.06 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.03 -0.00 -0.01 -0.04 0.02 -0.01 0.01 -0.02 0.01 0.01 -0.06 0.00 -0.04 0.02 -0.02 -0.01 -0.10 -0.01 -0.14 -0.01 -0.07 0.03 0.18 0.01 0.07 0.02 0.04 0.35 -0.46 0.20 -0.20 -0.26 -0.12 0.29 0.28 0.16 0.09 0.03 0.04 0.00 -0.10 -0.01 -0.04 -0.02 -0.02 0.02 0.05 0.01 -0.16 0.09 -0.07 0.11 0.18 0.07 -0.16 -0.17 -0.09 0.02 0.01 0.00 0.01 -0.01 0.00 0.01 0.02 0.00 0.02 -0.09 0.02 0.05 0.02 0.01 -0.01 -0.01 -0.00 -0.09 -0.18 0.01 0.00 0.01 0.00 -0.04 -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 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 0.01 -0.02 0.01 0.00 -0.00 0.00 0.00 -0.01 0.00 0.02 -0.02 0.01 0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 0.00 0.03 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.03 -0.09 -0.02 0.02 0.04 0.01 -0.01 0.00 -0.00 0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.04 0.04 -0.01 -0.01 0.02 0.00 0.04 0.00 0.01 -0.02 0.02 -0.01 0.05 0.06 0.01 -0.05 -0.06 -0.01 0.01 0.53 -0.08 -0.49 -0.05 -0.14 0.07 0.03 0.02 0.23 0.37 -0.01 -0.02 -0.08 0.00 -0.36 -0.26 -0.06 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.02 -0.01 -0.01 0.01 0.00 0.00 -0.04 -0.02 -0.01 0.01 -0.01 -0.01 -0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.03 0.02 -0.01 0.00 -0.01 -0.00 -0.03 0.04 -0.01 0.00 -0.00 0.00 -0.01 0.03 -0.01 -0.02 -0.01 -0.01 0.05 0.01 0.02 0.01 -0.05 0.00 -0.04 0.00 -0.02 0.02 0.08 0.01 0.02 -0.02 0.01 0.29 -0.33 0.17 -0.06 -0.08 -0.04 0.18 0.14 0.09 -0.13 -0.06 -0.06 0.00 0.14 0.01 0.07 0.00 0.03 0.00 -0.08 -0.01 0.41 -0.31 0.14 -0.17 -0.36 -0.12 0.26 0.26 0.15 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.03 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.08 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 0.00 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 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.03 0.01 0.03 0.00 0.01 -0.00 -0.00 -0.00 -0.02 -0.03 0.01 0.00 0.00 -0.00 0.01 0.01 -0.01 -0.00 -0.11 0.00 0.22 -0.03 0.10 0.02 0.11 0.01 -0.06 0.01 -0.02 0.04 -0.01 0.02 -0.06 0.01 -0.03 -0.35 -0.29 -0.15 -0.27 0.36 -0.11 -0.42 -0.16 -0.19 0.04 -0.01 0.02 -0.36 0.25 -0.16 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.02 0.00 -0.01 0.00 0.00 0.00 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.08 -0.06 0.04 0.01 0.05 0.00 -0.09 -0.03 -0.04 0.05 -0.06 0.02 0.01 0.08 0.00 -0.06 -0.05 -0.03 0.42 0.09 0.19 -0.41 0.21 -0.18 0.27 0.03 0.12 0.06 0.55 0.02 -0.26 0.10 -0.11 -0.00 -0.00 -0.00 0.02 -0.04 0.01 -0.02 -0.02 -0.01 0.01 -0.01 0.00 0.05 -0.01 0.02 0.00 0.09 0.01 0.02 0.08 0.01 0.01 0.01 0.01 -0.03 -0.09 -0.02 0.05 0.06 0.03 -0.00 0.02 -0.00 -0.06 -0.09 -0.03 0.25 -0.37 0.15 0.15 0.56 0.08 0.08 0.05 0.04 0.04 0.01 0.02 -0.00 0.01 0.00 -0.04 -0.01 -0.02 -0.03 -0.01 -0.02 -0.21 0.16 -0.07 0.05 0.12 0.03 -0.00 0.00 -0.00 -0.04 -0.05 -0.01 -0.04 0.01 -0.02 0.01 -0.05 0.01 -0.08 0.30 -0.07 0.26 -0.06 0.09 0.02 -0.00 0.01 0.12 0.20 -0.00 -0.01 0.02 -0.01 0.13 0.10 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.05 0.04 -0.02 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.06 0.04 0.03 -0.02 -0.01 -0.01 0.00 -0.04 0.00 0.06 0.04 0.03 0.02 0.04 0.01 -0.01 -0.04 -0.01 0.00 0.02 0.00 0.03 0.03 0.02 -0.08 0.14 -0.05 -0.09 -0.43 -0.05 -0.01 0.02 -0.00 0.03 0.01 0.01 0.05 0.03 0.03 -0.09 -0.06 -0.05 -0.07 -0.07 -0.04 -0.37 0.20 -0.13 0.05 0.14 0.03 0.51 0.22 0.24 -0.02 -0.03 -0.01 -0.04 0.00 -0.01 0.01 -0.03 0.01 -0.05 0.15 -0.04 0.23 -0.04 0.08 0.01 -0.01 0.01 0.05 0.06 -0.00 -0.00 0.03 -0.00 0.15 0.11 0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.03 -0.05 -0.01 0.05 -0.00 0.02 -0.02 0.03 -0.01 -0.04 0.01 -0.02 0.03 -0.03 0.01 0.02 -0.00 0.01 0.02 0.02 0.01 -0.01 -0.02 -0.00 -0.01 -0.01 -0.01 0.20 -0.18 0.12 0.07 0.23 0.03 -0.04 -0.04 -0.02 -0.01 -0.00 -0.00 0.03 0.02 0.01 -0.03 0.01 -0.01 -0.03 -0.03 -0.02 -0.29 0.26 -0.09 -0.01 0.03 0.00 0.30 0.13 0.14 0.03 0.03 0.01 0.10 0.01 0.03 0.01 0.10 -0.01 0.14 -0.31 0.09 -0.32 0.13 -0.12 -0.06 0.02 -0.02 -0.20 -0.28 -0.00 0.02 -0.07 0.01 -0.27 -0.23 -0.04 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -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 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.01 -0.04 -0.01 -0.02 0.00 -0.05 -0.00 0.02 0.01 0.01 -0.01 0.01 -0.00 0.01 -0.01 0.00 0.01 0.01 0.01 0.12 -0.09 0.07 -0.00 0.03 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.00 -0.00 0.02 0.00 0.00 0.01 0.00 -0.11 0.12 -0.03 -0.00 0.03 0.00 0.04 -0.00 0.02 0.01 0.01 0.00 -0.05 -0.09 -0.01 -0.08 -0.06 -0.02 -0.03 -0.40 0.04 -0.37 -0.06 -0.11 -0.01 0.11 -0.01 0.15 0.50 -0.03 0.11 0.00 0.03 0.48 0.20 0.13 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.01 0.01 -0.04 -0.02 -0.02 0.01 0.06 0.00 0.02 -0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 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 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.00 0.02 0.00 0.01 -0.00 -0.01 0.00 -0.01 -0.03 0.00 -0.01 0.00 -0.00 -0.03 -0.01 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.04 -0.02 -0.01 0.01 0.06 0.00 0.03 -0.03 0.01 -0.11 -0.06 -0.05 0.14 -0.13 0.07 -0.42 -0.20 -0.19 0.07 0.68 0.03 0.33 -0.27 0.15 -0.00 0.00 0.00 0.01 0.02 0.01 0.03 0.04 0.02 0.03 0.02 0.01 -0.14 0.04 -0.06 0.05 -0.16 0.02 -0.01 -0.07 -0.01 -0.04 -0.01 -0.02 0.02 -0.01 0.01 -0.04 0.05 -0.02 -0.02 -0.02 -0.01 0.00 0.07 0.00 0.12 -0.11 0.06 0.07 0.61 0.04 -0.24 -0.09 -0.12 -0.01 -0.02 -0.01 0.05 -0.04 0.02 -0.02 0.01 -0.01 0.06 0.01 0.03 -0.08 0.07 -0.03 -0.03 -0.20 -0.03 0.50 0.14 0.23 0.02 0.02 0.00 -0.03 -0.00 -0.01 -0.00 -0.03 0.00 -0.05 0.11 -0.03 0.11 -0.04 0.04 0.04 -0.03 0.02 0.02 -0.08 0.02 -0.03 0.04 -0.01 -0.07 0.02 -0.03 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 -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 0.01 0.00 0.01 0.01 0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.05 0.03 -0.03 -0.01 -0.03 -0.00 0.05 0.02 0.03 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.00 -0.05 0.06 -0.01 -0.00 -0.06 -0.01 0.04 0.02 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.04 0.02 0.02 0.00 0.00 0.00 0.03 -0.03 0.01 -0.03 -0.02 -0.01 -0.01 -0.00 -0.00 -0.03 0.03 -0.02 0.43 0.20 0.19 0.35 -0.30 0.16 -0.38 -0.18 -0.17 -0.01 -0.04 -0.00 -0.37 0.31 -0.16 -0.00 0.00 -0.00 -0.02 0.02 -0.01 -0.00 0.00 -0.00 0.06 -0.05 0.03 0.04 0.06 0.02 -0.06 -0.03 -0.03 -0.05 -0.09 -0.02 0.08 0.06 0.04 0.05 0.05 0.03 0.02 0.02 0.01 -0.04 -0.01 -0.02 0.03 0.06 0.01 0.32 -0.21 0.18 0.05 0.16 0.03 -0.36 -0.12 -0.20 0.00 0.04 0.00 -0.03 -0.01 -0.01 -0.02 -0.06 -0.01 -0.05 -0.04 -0.03 0.28 -0.35 0.08 0.04 0.41 0.06 -0.26 -0.11 -0.12 -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 0.00 -0.01 0.01 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.10 0.05 0.05 0.08 -0.07 0.04 -0.08 -0.04 -0.04 -0.00 -0.02 0.00 -0.09 0.07 -0.04 -0.00 0.00 -0.00 0.01 0.02 0.00 -0.01 -0.02 -0.01 -0.07 -0.10 -0.04 -0.05 0.15 -0.01 0.13 -0.04 0.07 0.09 0.03 0.04 0.02 0.11 0.01 -0.05 -0.06 -0.03 -0.04 -0.02 -0.02 0.02 0.02 0.01 -0.05 0.01 -0.02 -0.32 0.20 -0.18 0.02 0.31 0.01 0.19 0.09 0.10 0.01 0.03 0.01 -0.01 -0.04 -0.01 -0.04 -0.07 -0.02 0.01 -0.06 -0.00 0.29 -0.39 0.07 0.04 0.26 0.05 0.22 0.05 0.10 -0.06 -0.07 -0.01 0.06 0.02 0.02 0.02 0.06 -0.00 0.08 -0.07 0.04 -0.09 0.08 -0.04 -0.08 0.05 -0.03 -0.02 0.24 -0.04 0.05 -0.08 0.03 0.23 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 0.16 -0.16 0.07 -0.02 0.02 -0.01 0.15 -0.14 0.07 -0.11 0.12 -0.04 -0.12 0.10 -0.06 -0.13 0.12 -0.06 -0.13 0.13 -0.05 0.02 0.02 0.01 0.04 0.05 0.02 -0.03 -0.04 -0.02 0.06 -0.07 0.03 0.11 -0.07 0.07 -0.07 -0.48 -0.04 0.09 -0.01 0.04 0.03 0.04 0.02 -0.04 -0.05 -0.02 -0.01 -0.03 -0.01 0.08 -0.06 0.03 0.10 -0.14 0.02 0.03 -0.11 0.00 0.43 0.14 0.20 0.04 -0.05 0.02 -0.00 0.02 -0.00 -0.02 0.00 -0.01 0.01 -0.12 0.02 0.11 0.00 0.04 -0.02 0.02 -0.01 0.08 0.25 -0.01 -0.01 0.01 -0.01 -0.22 -0.10 -0.06 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 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 0.01 -0.05 0.01 -0.02 0.01 -0.05 0.00 -0.11 0.13 -0.05 0.13 -0.10 0.05 0.05 -0.04 0.02 -0.03 0.02 -0.01 0.02 -0.06 0.01 -0.01 -0.02 -0.01 -0.11 0.11 -0.06 -0.02 0.04 -0.01 0.53 0.11 0.29 -0.06 0.02 -0.02 0.02 -0.03 0.00 -0.04 0.04 -0.01 -0.01 -0.02 -0.01 0.13 -0.13 0.04 -0.00 0.62 0.07 0.03 -0.02 0.01 0.05 0.06 0.01 -0.03 -0.02 -0.01 -0.02 -0.04 -0.00 -0.04 -0.00 -0.01 0.01 -0.05 0.01 0.04 -0.01 0.02 -0.01 -0.18 0.02 -0.01 0.04 -0.01 -0.17 -0.03 -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 0.03 -0.03 0.01 -0.00 0.01 0.00 0.01 0.01 0.00 -0.03 0.01 -0.02 -0.03 0.02 -0.01 0.01 0.03 0.00 -0.01 -0.01 -0.00 0.01 -0.01 0.00 0.01 0.02 0.00 -0.03 -0.00 -0.02 0.03 -0.03 0.02 -0.03 0.02 -0.01 -0.01 -0.07 -0.01 -0.07 -0.02 -0.04 -0.00 0.02 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.02 -0.01 0.01 -0.01 0.02 -0.01 0.00 0.07 0.01 0.06 0.01 0.03 -0.09 0.07 -0.04 0.01 -0.08 0.01 0.09 0.01 0.03 -0.04 0.45 -0.07 -0.42 0.03 -0.14 0.01 0.01 0.00 -0.18 -0.46 0.01 -0.01 -0.03 -0.00 0.47 0.23 0.13 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 0.01 0.02 -0.05 -0.06 -0.03 -0.13 -0.17 -0.05 0.09 0.14 0.06 0.10 0.15 0.06 0.02 -0.12 0.00 -0.12 -0.00 -0.06 -0.10 0.10 -0.05 0.02 -0.14 0.01 0.11 0.02 0.06 -0.13 0.05 -0.07 0.06 -0.03 0.02 0.08 0.11 0.05 0.05 0.00 0.03 -0.00 0.13 0.01 -0.13 0.00 -0.06 0.10 -0.09 0.04 0.08 -0.14 0.02 -0.04 0.07 -0.03 -0.01 0.06 0.01 0.13 0.12 0.07 0.15 0.21 0.03 -0.11 -0.13 -0.02 -0.08 -0.12 -0.01 -0.15 0.04 -0.05 -0.14 -0.14 -0.03 0.14 0.05 0.04 -0.08 -0.53 0.04 0.03 0.14 -0.00 -0.27 -0.02 -0.09 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 0.01 0.00 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 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.02 -0.03 0.01 0.02 0.17 0.01 -0.02 -0.02 -0.01 -0.05 -0.05 -0.02 0.00 -0.00 0.00 0.04 -0.06 0.02 -0.45 -0.25 -0.20 0.38 -0.35 0.17 0.35 0.13 0.15 0.02 0.17 0.01 -0.32 0.22 -0.14 -0.00 -0.00 -0.00 0.18 -0.17 0.08 0.00 0.00 0.00 0.03 0.04 0.01 -0.22 -0.13 -0.12 0.09 0.25 0.06 -0.07 -0.21 -0.04 0.17 0.05 0.08 -0.17 0.18 -0.09 0.05 -0.17 0.03 0.18 0.01 0.10 -0.16 0.09 -0.08 0.25 -0.19 0.12 0.06 -0.18 0.03 -0.06 -0.06 -0.02 -0.00 -0.16 -0.02 0.14 -0.04 0.05 -0.16 0.15 -0.06 -0.07 0.13 -0.02 0.18 -0.20 0.07 0.04 0.24 0.04 0.16 -0.04 0.07 -0.04 -0.00 -0.01 0.01 0.00 0.00 0.03 0.02 0.01 0.01 0.05 -0.00 -0.02 0.03 -0.01 -0.02 -0.03 -0.00 -0.01 0.00 -0.01 0.01 -0.02 0.00 0.11 0.04 0.04 -0.03 -0.01 -0.01 0.00 0.01 0.00 0.03 -0.02 0.01 -0.02 -0.01 -0.01 0.00 0.03 0.00 0.02 -0.01 0.01 0.08 0.04 0.03 -0.07 0.06 -0.03 -0.03 -0.01 -0.01 -0.01 -0.07 -0.00 0.03 -0.02 0.01 0.00 0.00 -0.00 -0.02 0.03 -0.01 -0.00 -0.01 -0.00 0.16 0.19 0.07 0.02 0.04 0.01 0.01 -0.04 0.01 -0.11 -0.07 -0.05 -0.08 -0.14 -0.05 -0.02 0.09 -0.01 0.01 -0.08 0.00 0.11 -0.04 0.06 -0.10 0.10 -0.05 0.22 -0.12 0.11 0.03 0.02 0.02 0.36 0.04 0.20 -0.05 0.15 -0.01 -0.10 0.00 -0.04 0.12 -0.05 0.05 0.11 -0.12 0.04 -0.20 0.28 -0.07 -0.04 0.30 0.02 -0.02 0.04 -0.01 -0.08 -0.09 -0.02 0.06 0.08 0.01 0.08 0.07 0.02 0.08 0.07 0.02 0.04 0.09 0.01 -0.09 -0.07 -0.02 0.06 0.30 -0.02 -0.07 -0.10 -0.01 0.28 0.08 0.09 0.02 0.01 0.01 -0.00 -0.02 -0.00 -0.02 0.01 -0.01 0.01 0.01 0.01 -0.00 -0.02 -0.00 -0.01 0.01 -0.01 -0.03 -0.01 -0.01 0.03 -0.02 0.01 -0.00 -0.00 0.00 0.00 0.04 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.02 -0.01 -0.00 -0.00 -0.00 0.02 0.01 0.01 0.02 0.02 0.01 -0.01 -0.02 -0.00 -0.01 0.01 -0.00 -0.02 -0.01 -0.01 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 0.00 -0.00 0.02 0.00 0.05 0.01 0.03 -0.00 0.02 0.00 -0.02 0.00 -0.01 0.02 -0.02 0.01 0.01 -0.02 0.00 -0.03 0.03 -0.01 -0.00 -0.02 -0.00 -0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.02 -0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.03 -0.01 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.23 -0.11 -0.10 0.02 0.19 0.01 0.20 -0.16 0.09 -0.15 -0.06 -0.07 0.03 0.25 0.01 0.13 -0.10 0.06 0.40 0.18 0.18 -0.35 0.28 -0.15 -0.05 -0.02 -0.03 -0.05 -0.47 -0.02 0.04 -0.03 0.02 -0.00 0.00 0.00 0.04 -0.04 0.02 -0.00 0.00 -0.00 -0.11 0.11 -0.05 -0.03 -0.00 -0.02 -0.00 0.04 0.00 0.09 -0.00 0.04 0.01 -0.10 -0.00 -0.04 -0.01 -0.02 0.01 0.04 0.00 -0.02 0.05 -0.01 0.06 -0.07 0.03 0.00 -0.06 0.00 -0.04 -0.18 -0.02 -0.52 -0.12 -0.28 -0.05 0.03 -0.02 -0.04 -0.01 -0.02 0.01 0.04 0.01 0.08 -0.06 0.03 0.05 0.02 0.02 0.01 0.62 0.08 0.16 0.08 0.08 0.00 -0.01 0.00 0.01 0.05 -0.00 -0.04 -0.01 -0.01 0.03 -0.16 0.03 0.16 -0.02 0.06 0.01 -0.01 0.00 0.04 0.07 0.00 0.00 -0.01 0.00 -0.05 -0.04 -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 0.00 -0.00 0.00 0.01 0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.01 0.00 0.05 -0.04 0.02 -0.09 -0.10 -0.05 0.08 0.14 0.05 -0.13 -0.06 -0.07 0.02 0.14 0.02 0.07 -0.07 0.04 -0.07 -0.08 -0.04 -0.03 0.08 -0.01 0.09 -0.05 0.05 -0.33 0.31 -0.18 0.01 0.39 0.01 -0.19 0.04 -0.10 -0.07 0.02 -0.03 0.04 0.08 0.03 0.07 -0.06 0.02 0.05 -0.08 0.01 -0.33 0.32 -0.11 -0.06 0.19 -0.00 -0.30 -0.05 -0.13 -0.00 -0.00 -0.00 0.01 0.03 0.00 -0.02 -0.01 -0.01 0.02 -0.06 0.01 0.06 -0.02 0.02 0.02 0.01 0.00 0.00 -0.03 0.01 -0.01 -0.02 -0.00 0.04 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 0.02 -0.02 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.03 -0.00 -0.03 0.00 -0.02 0.02 -0.01 0.01 0.02 -0.02 0.01 0.00 0.02 0.00 0.02 -0.01 0.01 -0.02 -0.02 -0.01 -0.02 0.02 -0.01 0.04 -0.01 0.02 0.03 0.02 0.02 0.17 0.04 0.09 0.01 0.03 0.01 0.02 -0.01 0.01 -0.01 -0.01 -0.01 -0.02 0.01 -0.01 0.00 -0.03 -0.00 -0.01 -0.18 -0.02 -0.03 -0.04 -0.01 0.03 -0.03 0.02 0.09 0.18 0.01 -0.16 -0.11 -0.04 0.15 -0.24 0.07 0.24 -0.13 0.10 0.12 0.16 0.02 -0.14 -0.52 0.03 -0.15 -0.14 -0.03 0.49 0.17 0.13 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.02 0.01 0.02 0.02 0.01 -0.06 -0.09 -0.03 -0.13 -0.09 -0.07 -0.04 -0.14 -0.03 0.13 0.06 0.07 0.03 0.17 0.02 -0.07 0.05 -0.04 0.07 0.10 0.04 -0.00 -0.08 -0.00 -0.07 0.05 -0.04 0.25 -0.27 0.13 -0.01 -0.35 -0.01 0.21 -0.03 0.11 -0.08 -0.02 -0.04 0.08 0.10 0.04 0.06 -0.08 0.02 0.07 -0.08 0.02 -0.34 0.30 -0.12 -0.07 0.27 0.00 -0.35 -0.06 -0.16 0.01 0.02 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 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 -0.01 0.00 -0.01 0.01 -0.01 0.01 -0.01 0.00 -0.01 0.01 -0.01 0.01 0.00 0.01 0.00 -0.01 0.00 -0.01 -0.00 -0.01 0.00 0.01 0.00 -0.01 0.02 -0.00 0.01 0.04 0.01 0.06 0.02 0.03 0.00 -0.02 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 0.00 0.02 -0.01 0.01 0.01 0.07 0.01 0.04 0.02 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.08 0.07 -0.04 -0.01 -0.15 -0.00 0.09 0.05 0.04 -0.14 0.03 -0.06 -0.01 -0.14 -0.00 0.14 -0.01 0.06 0.13 0.19 0.06 -0.06 0.21 -0.03 0.31 0.26 0.14 0.07 0.64 0.03 -0.23 0.32 -0.10 0.00 0.00 0.00 -0.02 -0.04 -0.01 0.02 0.03 0.01 -0.01 -0.01 -0.01 0.06 -0.11 0.02 -0.11 0.05 -0.06 0.08 -0.11 0.04 -0.11 0.07 -0.04 0.07 0.00 0.04 0.02 -0.07 0.01 -0.11 -0.01 -0.06 0.01 0.08 0.00 -0.04 0.13 -0.02 0.11 0.30 0.06 0.47 0.18 0.25 0.01 -0.12 -0.01 -0.07 0.01 -0.03 -0.01 0.08 0.00 0.07 0.02 0.03 0.13 -0.03 0.05 0.08 0.52 0.09 0.24 0.15 0.12 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 0.01 0.01 0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.00 0.00 0.02 0.00 -0.01 -0.01 -0.01 0.02 -0.00 0.01 0.00 0.02 0.00 -0.02 0.00 -0.01 -0.02 -0.03 -0.01 0.01 -0.03 0.01 -0.04 -0.04 -0.02 -0.01 -0.10 -0.00 0.03 -0.05 0.02 -0.00 -0.00 0.00 -0.07 0.07 -0.03 0.01 -0.01 0.00 0.03 -0.03 0.01 0.08 -0.10 0.03 0.09 -0.06 0.05 -0.07 0.06 -0.04 -0.08 0.07 -0.03 -0.04 -0.00 -0.02 -0.03 0.04 -0.01 0.10 0.01 0.06 -0.02 -0.04 -0.01 0.03 -0.08 0.01 -0.08 -0.17 -0.04 -0.32 -0.13 -0.17 0.01 -0.13 -0.01 -0.04 0.02 -0.02 -0.01 0.06 0.00 0.03 0.03 0.02 0.10 -0.03 0.04 0.06 0.40 0.07 0.16 0.12 0.08 0.23 -0.22 0.10 0.01 -0.07 0.01 0.07 -0.01 0.02 -0.04 0.31 -0.05 -0.32 0.01 -0.10 -0.05 0.18 -0.04 -0.16 -0.09 -0.04 -0.17 0.04 -0.06 0.07 0.17 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.01 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 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.11 -0.11 -0.05 0.12 -0.01 0.05 -0.09 0.13 -0.04 -0.08 -0.10 -0.04 0.09 -0.01 0.04 -0.06 0.12 -0.03 0.42 0.12 0.19 0.39 -0.24 0.17 0.40 0.10 0.17 0.11 -0.03 0.05 0.37 -0.22 0.16 -0.00 0.00 -0.00 0.08 -0.08 0.04 -0.01 0.01 -0.00 -0.12 0.11 -0.05 -0.09 0.12 -0.03 -0.11 0.08 -0.06 0.10 -0.09 0.05 0.10 -0.10 0.04 0.05 0.02 0.03 0.02 -0.09 0.01 -0.11 0.02 -0.06 0.04 0.03 0.02 -0.03 0.12 -0.01 0.10 0.26 0.05 0.25 0.15 0.13 -0.04 0.13 -0.00 0.09 -0.01 0.04 -0.01 -0.07 -0.01 -0.02 -0.05 -0.01 -0.12 0.03 -0.05 -0.09 -0.31 -0.07 -0.23 -0.15 -0.12 0.20 -0.19 0.09 -0.02 -0.09 0.00 0.09 0.02 0.03 -0.07 0.27 -0.06 -0.27 0.04 -0.09 -0.08 0.09 -0.04 -0.06 0.19 -0.04 -0.09 0.08 -0.04 -0.19 0.05 -0.07 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.07 -0.09 -0.03 0.01 -0.02 0.00 -0.02 0.01 -0.01 0.02 0.00 0.01 0.00 0.02 0.00 0.02 -0.01 0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.03 0.03 -0.01 -0.00 0.03 -0.00 -0.02 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.02 -0.00 -0.01 0.00 -0.00 0.03 -0.03 0.01 0.01 -0.02 0.00 0.03 0.00 0.01 0.20 0.24 0.06 -0.17 0.27 -0.09 0.27 -0.15 0.11 -0.15 -0.36 -0.01 -0.33 -0.18 -0.08 -0.12 -0.12 -0.03 0.06 0.39 -0.02 -0.10 -0.13 -0.02 0.35 0.09 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 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 0.03 -0.02 0.01 -0.01 0.00 -0.03 0.03 -0.01 -0.07 -0.16 -0.05 0.14 0.12 0.08 -0.04 -0.20 -0.02 0.15 0.06 0.07 -0.04 -0.16 -0.02 0.08 0.30 0.04 -0.13 -0.15 -0.07 0.01 0.11 0.00 -0.14 -0.10 -0.08 -0.07 -0.41 -0.04 0.26 -0.04 0.14 0.09 0.15 0.06 -0.22 -0.11 -0.11 0.11 0.06 0.06 -0.08 -0.03 -0.04 0.07 0.14 0.04 0.07 -0.26 0.00 0.31 0.11 0.14 0.03 -0.04 0.02 -0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.01 0.02 -0.01 -0.04 0.00 -0.01 -0.01 0.02 -0.01 -0.01 0.02 -0.01 -0.01 0.01 -0.00 -0.04 -0.00 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.01 -0.02 -0.02 -0.01 0.04 0.04 0.02 0.11 0.18 0.06 0.12 0.13 0.06 -0.06 -0.18 -0.03 -0.18 -0.10 -0.09 -0.01 -0.16 -0.00 0.04 0.25 0.02 -0.05 -0.11 -0.03 -0.02 0.09 -0.01 -0.16 -0.05 -0.08 -0.08 -0.34 -0.05 0.14 -0.07 0.08 -0.11 -0.11 -0.06 0.25 0.10 0.12 -0.15 -0.04 -0.07 0.10 -0.00 0.04 -0.03 -0.20 -0.03 -0.09 0.20 -0.02 -0.34 -0.15 -0.16 -0.05 -0.05 -0.01 -0.06 0.06 -0.02 0.06 -0.05 0.03 -0.05 -0.12 -0.01 -0.10 -0.07 -0.03 0.01 0.04 -0.00 -0.07 -0.16 0.00 0.04 0.02 0.01 -0.15 -0.08 -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 -0.01 -0.01 -0.00 -0.04 -0.04 -0.01 0.04 -0.01 0.02 -0.02 0.05 -0.01 0.00 -0.04 0.00 -0.04 -0.00 -0.02 0.05 -0.07 0.02 -0.01 0.07 -0.01 0.03 -0.02 0.01 -0.03 0.02 -0.01 -0.09 0.05 -0.05 -0.04 -0.06 -0.02 -0.03 -0.03 -0.02 -0.02 0.02 -0.01 0.06 -0.00 0.03 -0.07 0.04 -0.03 0.02 -0.02 0.01 0.05 -0.09 0.01 -0.02 -0.02 -0.01 -0.05 -0.05 -0.03 0.15 0.17 0.04 0.15 -0.15 0.06 -0.16 0.14 -0.07 0.15 0.31 0.01 0.28 0.17 0.07 -0.03 -0.14 0.00 0.21 0.45 0.01 -0.14 -0.04 -0.04 0.41 0.25 0.10 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.10 -0.16 -0.06 0.08 0.11 0.04 -0.00 -0.00 -0.00 0.02 -0.11 -0.00 -0.19 0.04 -0.10 0.09 -0.01 0.05 -0.00 0.07 0.01 0.20 -0.17 0.11 -0.12 0.08 -0.06 0.29 0.02 0.15 -0.19 0.06 -0.10 -0.21 0.21 -0.10 -0.17 -0.03 -0.09 -0.33 -0.17 -0.17 -0.01 0.21 0.02 0.03 -0.08 0.01 -0.09 0.11 -0.03 0.05 -0.13 0.01 0.12 -0.10 0.04 -0.06 -0.24 -0.05 0.01 -0.10 -0.01 -0.05 -0.06 -0.01 -0.04 0.04 -0.02 0.04 -0.04 0.02 -0.04 -0.08 -0.00 -0.08 -0.05 -0.02 0.02 0.05 0.00 -0.08 -0.18 -0.00 0.05 0.02 0.01 -0.16 -0.09 -0.04 -0.01 -0.01 -0.01 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.01 0.01 0.01 -0.01 -0.02 -0.00 0.01 0.00 0.00 0.02 0.00 0.01 -0.01 -0.01 -0.00 -0.02 -0.00 -0.01 -0.00 0.02 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.08 0.02 -0.04 0.03 0.02 0.01 0.01 -0.01 0.00 0.11 -0.21 0.03 0.13 -0.07 0.07 -0.04 0.05 -0.02 -0.07 0.08 -0.02 -0.15 0.15 -0.08 0.07 -0.10 0.03 -0.15 0.01 -0.08 0.11 -0.05 0.06 0.18 -0.17 0.09 0.11 0.04 0.06 0.17 0.11 0.09 -0.05 0.29 0.01 0.14 -0.11 0.05 -0.24 0.23 -0.08 0.10 -0.20 0.02 0.28 -0.28 0.10 -0.11 -0.34 -0.08 -0.03 -0.21 -0.04 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.02 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.00 0.01 0.01 0.00 -0.05 -0.03 -0.01 0.00 -0.01 0.00 -0.00 0.02 -0.00 0.01 -0.01 0.01 -0.01 0.01 -0.00 0.00 -0.02 0.00 -0.01 0.02 -0.01 0.01 -0.01 -0.00 -0.02 0.01 -0.01 -0.00 0.01 0.00 0.01 0.02 0.01 0.02 -0.01 0.01 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.00 0.00 0.01 -0.01 0.01 0.01 0.00 0.00 0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 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 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.02 0.01 0.00 -0.30 -0.11 -0.13 0.13 0.11 0.06 -0.21 0.02 -0.09 0.32 0.14 0.14 -0.16 -0.13 -0.07 0.24 -0.04 0.10 0.29 0.17 0.13 0.06 -0.23 0.02 -0.35 -0.17 -0.15 -0.16 0.20 -0.07 -0.12 0.29 -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 0.01 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.02 0.00 0.01 -0.01 0.00 -0.02 0.02 -0.01 0.01 -0.01 0.00 0.02 -0.02 0.01 -0.01 -0.02 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 0.16 -0.00 0.02 -0.30 0.01 -0.17 0.24 -0.08 0.02 -0.17 0.01 -0.02 0.38 -0.01 0.16 -0.27 0.07 -0.15 0.12 -0.07 0.29 -0.12 0.13 0.09 -0.18 0.03 -0.12 -0.42 -0.05 -0.31 0.08 -0.13 0.00 0.00 0.00 0.42 0.54 0.24 -0.27 -0.35 -0.15 0.02 0.03 0.01 -0.00 -0.17 -0.02 -0.15 -0.03 -0.08 0.05 -0.03 0.02 -0.03 0.05 -0.01 0.12 -0.06 0.06 -0.04 0.04 -0.02 0.06 -0.01 0.03 -0.05 0.03 -0.03 -0.08 0.15 -0.04 -0.05 0.05 -0.03 -0.06 -0.04 -0.03 -0.02 0.06 -0.00 0.05 -0.04 0.02 -0.08 0.13 -0.02 0.03 -0.05 0.01 0.15 -0.07 0.06 -0.03 -0.07 -0.02 0.05 -0.05 0.02 -0.06 -0.06 -0.02 -0.01 0.02 -0.01 0.02 -0.01 0.01 -0.01 -0.03 -0.00 -0.03 -0.02 -0.01 0.01 0.03 -0.00 -0.04 -0.07 -0.01 0.03 0.01 0.01 -0.06 -0.05 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 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 -0.01 -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 0.01 -0.00 0.02 -0.08 0.01 -0.00 0.00 -0.00 -0.01 -0.02 -0.01 0.12 -0.04 0.07 -0.24 0.95 -0.14 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 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 -0.01 0.02 -0.00 -0.08 0.01 -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.01 0.90 -0.15 0.36 -0.06 0.13 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.02 0.03 0.01 0.02 -0.05 0.01 -0.04 0.01 -0.02 0.02 0.02 0.01 -0.05 0.15 -0.03 -0.24 -0.35 -0.10 -0.23 0.59 -0.09 0.44 -0.06 0.18 -0.21 -0.30 -0.08 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 -0.00 0.00 -0.00 0.00 0.02 0.03 0.01 0.01 -0.03 0.00 0.02 0.00 0.01 -0.03 -0.05 -0.01 0.13 -0.34 0.07 -0.27 -0.39 -0.12 -0.12 0.31 -0.05 -0.24 0.03 -0.10 0.37 0.53 0.14 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.05 -0.02 0.04 -0.01 0.02 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.46 0.61 0.26 -0.49 0.13 -0.26 -0.02 0.09 -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 -0.05 -0.06 -0.03 -0.01 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 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.04 0.06 0.02 -0.05 0.01 -0.03 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.02 0.05 -0.00 -0.04 -0.05 -0.02 0.00 -0.00 0.00 0.47 0.58 0.27 0.09 -0.01 0.04 0.21 -0.55 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 -0.01 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -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 -0.01 0.03 -0.01 -0.00 0.00 -0.00 -0.03 -0.05 -0.01 0.01 -0.02 0.01 -0.04 0.01 -0.02 -0.01 -0.02 -0.00 0.14 -0.37 0.07 0.35 0.51 0.15 -0.12 0.29 -0.05 0.46 -0.06 0.19 0.15 0.22 0.06 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.06 0.01 0.00 0.00 0.00 -0.02 -0.02 -0.01 0.02 -0.04 0.01 0.03 -0.00 0.01 -0.02 -0.02 -0.01 -0.24 0.62 -0.12 0.19 0.28 0.08 -0.17 0.44 -0.07 -0.32 0.04 -0.13 0.14 0.20 0.06 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.04 -0.02 -0.06 0.02 -0.03 0.00 0.01 0.00 0.00 -0.00 0.00 0.32 0.44 0.18 0.68 -0.19 0.37 0.02 -0.10 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 -0.05 -0.06 -0.03 0.01 -0.00 0.01 0.04 -0.10 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 -0.01 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 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -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 0.05 0.06 0.03 0.09 -0.02 0.05 0.00 -0.01 0.00 0.01 0.00 0.00 0.03 -0.07 0.01 -0.03 -0.04 -0.02 -0.00 0.00 -0.00 0.35 0.43 0.20 -0.09 0.01 -0.04 -0.28 0.73 -0.04 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.03 -0.01 -0.01 -0.02 -0.01 0.01 -0.04 0.01 0.05 -0.01 0.02 0.03 0.04 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 -0.01 -0.01 -0.01 -0.03 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.03 -0.04 -0.02 0.01 -0.00 0.00 0.03 -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 0.02 -0.04 0.01 0.00 0.00 0.00 0.01 0.01 0.00 -0.01 0.03 -0.00 -0.05 0.01 -0.02 -0.03 -0.04 -0.01 -0.16 0.42 -0.08 -0.11 -0.16 -0.05 0.13 -0.34 0.05 0.52 -0.07 0.21 0.29 0.42 0.11 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.05 0.01 0.02 -0.01 -0.07 0.01 -0.63 -0.09 -0.20 0.04 0.74 -0.06 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 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.07 -0.00 -0.02 0.00 -0.06 0.01 0.70 0.09 0.22 0.03 0.66 -0.06 0.00 0.00 0.00 0.01 -0.01 0.01 0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.03 -0.01 0.01 -0.36 0.15 -0.15 0.03 -0.06 0.01 -0.38 0.80 -0.17 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -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 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.06 0.02 -0.03 0.78 -0.31 0.33 0.01 -0.03 0.01 -0.17 0.37 -0.08 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 6 8 5 6 6 6 6 6 6 6 7 1 1 1 6 6 6 7 1 1 1 6 6 6 1 1 7 1 7 1 6 6 6 6 6 6 1 1 1 1 1 53 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 6 8 5 6 6 6 6 6 6 6 7 1 1 1 6 6 6 7 1 1 1 6 6 6 1 1 7 1 7 1 6 6 6 6 6 6 1 1 1 1 1 53 12.00000 15.99491 11.00931 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 1.00783 1.00783 14.00307 1.00783 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 126.90040 465.03429 0.99964 0.00196 0.02674 -0.00175 0.99997 -0.00797 -0.02676 0.00792 0.99961 asymmetric 1 0.01174 0.00613 0.00521 0.24468 0.12776 0.10863 841321.1 26.46 37.81 39.10 63.33 84.74 89.47 117.47 156.36 169.57 176.83 235.51 243.04 253.92 306.80 325.70 328.10 357.33 395.52 417.71 431.28 511.73 540.42 557.41 600.04 609.62 618.32 677.67 689.61 742.48 834.40 845.09 901.50 909.40 918.07 957.58 969.76 1005.02 1023.81 1046.05 1069.11 1088.89 1093.53 1119.25 1128.60 1161.52 1195.85 1237.17 1246.99 1275.50 1283.63 1302.51 1330.03 1354.63 1356.71 1382.30 1393.60 1437.89 1439.33 1447.63 1451.48 1477.61 1487.41 1493.48 1499.60 1517.99 1545.67 1553.61 1560.71 1578.65 1592.01 1599.39 1609.23 1629.13 1684.61 1697.84 1712.11 1728.09 1730.37 1785.29 1835.69 1859.12 1882.36 1888.82 1904.54 1934.99 1951.93 1955.96 1975.17 2072.34 2103.87 2119.11 2133.89 2136.62 2166.12 2183.47 2207.68 2243.08 2326.25 2338.09 2358.98 2389.35 2396.37 2403.52 2404.45 2522.09 4559.20 4563.05 4613.02 4623.65 4629.34 4630.50 4634.84 4643.32 4649.63 4650.84 4652.42 4755.10 4782.93 4893.19 4907.52 0.320442 0.342287 0.343231 0.265572 -1386.606222 -1386.584377 -1386.583433 -1386.661092 214.788 83.928 163.448 0.000 0.000 1.377 0.889 2.981 44.299 0.889 2.981 35.802 213.011 77.966 81.969 1 0.593 1.986 6.801 2 0.593 1.985 6.092 3 0.593 1.984 6.026 4 0.595 1.980 5.069 5 0.596 1.974 4.494 6 0.597 1.972 4.387 7 0.600 1.962 3.851 8 0.606 1.942 3.292 9 0.608 1.934 3.135 10 0.610 1.930 3.054 11 0.623 1.887 2.507 12 0.625 1.881 2.447 13 0.628 1.871 2.365 14 0.644 1.821 2.016 15 0.650 1.801 1.908 16 0.651 1.798 1.894 17 0.662 1.765 1.742 18 0.677 1.720 1.565 19 0.686 1.692 1.472 20 0.692 1.674 1.418 21 0.731 1.564 1.141 22 0.746 1.522 1.057 23 0.756 1.497 1.010 24 0.780 1.433 0.902 25 0.786 1.419 0.879 26 0.791 1.405 0.859 27 0.828 1.314 0.735 28 0.836 1.296 0.712 29 0.871 1.214 0.619 30 0.937 1.075 0.485 31 0.945 1.059 0.472 0.173207e+26 25.238565 58.113943 0.147523e+10 9.168859 21.112079 0.200000e+01 0.301030 0.693147 0.394168e+09 8.595681 19.792288 0.148934e+08 7.172994 16.516429 coments ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.6707 -4.8214 -0.6864 5.5543 -175.6871 -155.3200 -175.7320 -10.1865 13.3257 1.4813 -6.7741 13.5930 -6.8189 -10.1865 13.3257 1.4813 -188.5486 -53.6136 18.1918 -98.1222 -58.2010 6.9236 -63.0865 -1.3880 -12.6779 -15.1558 -6374.7099 -3334.6165 -2063.8558 -250.0586 158.4030 -126.8387 32.9746 -3.7813 32.0563 -1789.0671 -1410.3816 -941.2217 -26.4418 25.2306 5.0395 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 2-A -1386.9266642 0.779538 0. 0.75072 2.819E-9 1.117E-5 0.3204423 0.342287 -1386.5843772 -1386.583433 -1386.6610922 9.4208231,1.9392415,-11.3600646,-1.6088111,10.4466089,3.289848 C01 [X(C20H15B1I1N4O1)] 0.7505965 -1.753084 1.0669829 0.8096535 -0.121531 0.2653907 -0.0923326 1.619364 -0.5092532 0.2446933 -0.4567951 0.4927338 -0.5452241 0.2443107 -0.1572491 0.2069133 -1.6401185 0.5183923 -0.1228092 0.4284008 -0.5392405 -0.2433189 0.023632 -0.1006459 -0.0075529 -0.4464507 0.1356726 -0.088978 0.0605981 -0.0546027 -0.4361443 -0.632898 0.0320524 0.4346957 -0.4833163 0.3242076 -0.2377612 -0.0929245 -0.124039 -0.4578304 0.5326665 -0.3195806 -0.5755121 -0.4463854 -0.0890117 -0.0478698 0.338546 -0.1800294 0.3308818 0.3846663 0.0025593 0.6027644 0.5506165 0.0673628 -0.0136964 0.0561321 -0.0037534 0.6715935 -0.1585878 0.2930902 -0.3242652 0.0051049 -0.1320816 0.3348782 -0.0367192 0.1691987 0.4270601 -0.1874118 0.2362442 0.2488983 0.1411186 0.0365628 0.1627338 -0.1226161 0.0642144 -0.3911672 0.2397559 -0.1462937 0.2038365 -0.3203416 0.1481794 -0.1624155 0.1535155 -0.2553836 0.4211827 0.1846991 0.0883672 -0.0965064 0.6584021 -0.216684 0.1896615 -0.0691624 0.1195545 -0.7268142 -0.4853442 0.0008632 -0.1239406 -0.6573321 0.06894 -0.1178546 -0.1158792 -0.2979836 0.1201685 0.0755261 -0.0128942 -0.0047147 0.0349344 0.0143484 0.0059966 0.0406837 0.0891925 -0.0047982 -0.0832328 -0.0342072 -0.0879161 -0.0006337 -0.0050828 -0.0409128 -0.0123721 0.1107343 -0.1003818 -0.0115038 -0.0723402 0.0407017 0.065272 0.0237672 -0.1034369 -0.0013503 0.0443854 0.4221885 -0.1960317 0.2444765 0.0786619 0.5688158 -0.1162997 0.0990261 -0.1981723 0.1407232 -0.1694443 -0.194207 0.0380604 -0.1470185 -0.592573 0.07492 0.0354989 0.0553536 -0.1557986 0.3393781 0.3871677 0.0397042 -0.0373105 0.2482481 -0.1049722 0.1258532 0.0520166 -0.0035639 -0.8487497 0.2463526 -0.3056964 -0.1176734 -0.3816821 -0.0169069 -0.1752859 0.0925983 -0.4471245 0.1198853 -0.0198382 0.0156435 0.0546634 0.0214145 0.0412268 0.0003391 0.0063397 0.0966878 -0.0395608 -0.0681352 -0.0275428 -0.11402 -0.0144442 -0.0196836 0.0034861 0.010532 0.0950948 -0.0625898 0.0164019 -0.0727359 0.0149731 0.0726443 0.0205261 -0.0601817 0.0159289 0.0972664 0.2529619 -0.2001944 0.0756327 -0.1697833 1.1991556 -0.4401291 0.075304 -0.4488102 0.3394459 0.0531428 0.248834 -0.0152586 -0.0941166 -0.0678465 -0.0384275 0.1271118 0.1153482 -0.0801655 0.0998356 -0.1516791 0.1239934 0.202443 -0.1397821 0.0683971 -0.0223532 -0.0395411 -0.094555 0.0992318 -0.0390303 -0.0238899 -0.0236626 0.0939572 0.036421 -0.0291519 0.0428138 0.1397463 0.0898964 0.0014304 -0.0387829 -0.0070089 0.0893544 0.0359255 -0.0393952 0.0418634 0.1324634 -0.5442129 0.4386987 -0.2552038 -0.1976837 -0.353718 -0.0365419 0.004628 0.2250636 -0.2520964 0.3545668 0.056359 -0.0092927 0.0719626 0.4468047 -0.0336149 -0.0453236 -0.0223333 0.2240007 -0.4142995 -0.4349898 0.1076001 0.152816 -0.5905172 0.1822441 -0.153848 -0.1297013 -0.2401881 0.374358 -0.0913515 0.0481144 -0.0878167 0.3356912 -0.0419353 0.0747359 0.0033614 0.3328935 -0.1304098 -0.219593 0.0549398 -0.0805341 -0.2447906 0.0467261 0.0147123 -0.0408193 -0.031296 0.3200741 0.4377599 -0.0014958 0.4865756 0.4808034 -0.0530468 0.0577251 0.0107706 -0.1307782 -0.1844557 -0.086381 -0.0069603 -0.2303229 -0.1592105 -0.0593058 0.030254 0.0032787 -0.0837399 0.0322442 -0.0467866 0.1117964 0.0238241 -0.0163299 -0.0216983 0.0271662 -0.0296978 -0.0976434 -0.021221 0.0559709 0.0136036 0.0379572 -0.0111433 -0.0052049 -0.0094347 -0.0294005 -0.0869027 -0.0246677 0.0524329 0.0146892 -0.0456027 -0.0002256 -0.0501592 0.0697781 -0.046111 -0.0748957 0.02911 0.0038318 -0.0475221 -0.0188557 0.073977 0.0076293 -0.0810923 0.0139025 0.1029287 0.0753895 0.012609 -0.0302553 0.0174198 -0.0045465 0.056227 -0.0262063 0.0140579 0.1242379 -0.0479094 -0.0100109 -0.072152 -0.0015695 0.0435476 0.0276615 -0.0402869 0.0091299 0.112561 0.0162885 -0.0669302 -0.0305964 -0.0540154 0.0060195 0.0176687 -0.0132497 0.0385641 0.1221275 0.0562972 -0.0192741 -0.0270745 -0.0087037 -0.0058743 0.0488934 -0.046062 0.0759213 0.0916164 -0.1221894 -0.1181628 0.0008491 -0.1306679 -0.1779838 -0.0118606 -0.0059766 -0.0123143 -0.0080268 323.2846787|40.5392332|335.515149|57.3271191|-55.2097298|181.9394239 0.000021854 0.000005658 -0.000002283 -0.000001938 -0.000003851 0.000002247 -0.000029310 -0.000011340 -0.000004708 -0.000006163 0.000000578 -0.000007757 -0.000000856 0.000007431 0.000002713 -0.000010403 0.000010523 -0.000027300 -0.000014967 -0.000032102 0.000011557 -0.000003945 -0.000002681 0.000000326 0.000006824 -0.000001295 -0.000002199 -0.000007226 -0.000000733 0.000010321 0.000007133 -0.000002582 0.000005064 0.000002836 0.000000986 -0.000000687 -0.000000923 0.000001465 -0.000001733 0.000002723 -0.000000518 -0.000002870 -0.000012493 0.000009191 -0.000003273 -0.000009981 -0.000018538 -0.000004454 0.000024885 0.000008881 0.000005487 0.000021181 0.000009742 -0.000003920 -0.000003554 -0.000002316 -0.000002398 0.000002766 -0.000002046 0.000000531 0.000002565 0.000000348 -0.000002430 0.000058326 0.000030465 0.000012478 0.000002959 0.000023966 0.000001473 -0.000003645 -0.000013950 -0.000007243 0.000004486 -0.000002943 0.000002163 -0.000003113 0.000008235 0.000008991 -0.000013651 -0.000020414 -0.000019845 -0.000008988 -0.000008809 0.000009329 -0.000006884 -0.000005664 0.000019879 -0.000002536 0.000001033 -0.000011725 0.000008320 0.000001164 -0.000001180 -0.000013756 0.000005837 -0.000012741 0.000000286 -0.000001652 0.000014088 0.000004831 0.000025139 0.000005962 -0.000006570 -0.000002947 -0.000001671 -0.000002822 -0.000008927 0.000002086 -0.000001281 0.000002580 0.000000143 -0.000004044 -0.000006869 -0.000003475 -0.000001130 -0.000010965 -0.000000124 -0.000004721 0.000004325 -0.000000835 0.000000663 0.000001990 -0.000000886 0.000002261 0.000001603 0.000010901 449.9556699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,11,18,29,27,2;35,34,36,33,31,32,42/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(16,17)(18,19);(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.2,17.2,20.1;1.3,2.3,3.3,4.3,5.3,6.3/rA:42nC3O1BC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHC3C3C3C3C3C3HHHHHI/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s24;s27;s22s23;s29;;s31;s32;s33;s34;s31s35;s31;s33;s34;s35;s36;s32;/rC:.7516,2.1732,-1.9;.486,3.3116,-2.2676;1.3839,-.5635,-.9851;-.2548,1.083,-2.0177;2.0732,1.8638,-1.2864;2.4084,.5634,-.8331;.018,-.2415,-1.5954;2.9927,2.9042,-1.1092;4.2018,2.6374,-.4865;4.4506,1.3254,-.053;3.6021,.3244,-.2126;2.7256,3.9034,-1.4608;4.9469,3.4183,-.3262;5.3949,1.0911,.4525;-2.1402,-.8926,-2.1191;-2.4901,.3935,-2.5622;-1.5286,1.3899,-2.511;-.9426,-1.2093,-1.6599;-1.7328,2.414,-2.8317;-2.8848,-1.6968,-2.1384;-3.4974,.5899,-2.933;1.6404,-1.9373,-.3444;1.3079,-3.9769,.4905;2.5508,-3.5637,.8797;.7757,-4.9004,.6945;3.3043,-4.0666,1.4774;2.7328,-2.3099,.3469;3.4958,-1.6217,.4272;.7763,-2.9643,-.2686;-.15,-2.8383,-.7041;-1.4009,.4467,1.3382;-1.0291,-.777,1.8922;.2229,-.9471,2.4834;1.1128,.1258,2.5106;.7543,1.3542,1.9586;-.5016,1.5119,1.3771;-2.3731,.5694,.858;.5111,-1.9112,2.9072;2.1018,-.0071,2.9538;1.4633,2.1843,1.9621;-.7816,2.4658,.9251;-2.3729,-2.4008,1.8223; Gaussian 16 26-Sep-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 120 C1[X(C20H15BIN4O)] UwB97XD def2TZVPP SP #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 449.9556699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,11,18,29,27,2;35,34,36,33,31,32,42/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(16,17)(18,19);(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.2,17.2,20.1;1.3,2.3,3.3,4.3,5.3,6.3/rA:42nC3O1BC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHC3C3C3C3C3C3HHHHHI/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s24;s27;s22s23;s29;;s31;s32;s33;s34;s31s35;s31;s33;s34;s35;s36;s32;/rC:.7516,2.1732,-1.9;.4859,3.3116,-2.2676;1.3839,-.5635,-.9851;-.2548,1.083,-2.0177;2.0732,1.8638,-1.2864;2.4084,.5634,-.8331;.018,-.2415,-1.5954;2.9927,2.9042,-1.1092;4.2018,2.6374,-.4865;4.4506,1.3254,-.053;3.6021,.3244,-.2126;2.7256,3.9034,-1.4608;4.9469,3.4183,-.3262;5.3949,1.0911,.4525;-2.1402,-.8926,-2.1191;-2.4901,.3935,-2.5622;-1.5286,1.3899,-2.511;-.9426,-1.2093,-1.6599;-1.7328,2.414,-2.8317;-2.8848,-1.6968,-2.1384;-3.4974,.5899,-2.933;1.6404,-1.9373,-.3444;1.3079,-3.9769,.4905;2.5508,-3.5638,.8797;.7757,-4.9004,.6945;3.3043,-4.0666,1.4774;2.7328,-2.3099,.3469;3.4958,-1.6217,.4272;.7763,-2.9643,-.2686;-.15,-2.8383,-.7041;-1.4009,.4467,1.3382;-1.0291,-.777,1.8922;.2229,-.9471,2.4834;1.1128,.1258,2.5106;.7543,1.3542,1.9586;-.5016,1.5119,1.3771;-2.3731,.5694,.858;.5111,-1.9112,2.9072;2.1018,-.0071,2.9538;1.4633,2.1843,1.9621;-.7816,2.4658,.9251;-2.3729,-2.4008,1.8223; chk=18_a_PhI.chk Mem=12000MB NProc=12 #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput 1/29=7,38=1,172=1/1 2/12=2,40=1/2 3/5=44,7=202,11=2,14=-4,24=110,25=1,30=1,74=-58,116=-2/1,2,3 4/5=1/1 5/5=2,8=3,13=1,38=6/2,8 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 coments Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 12 16 11 12 12 12 12 12 12 12 14 1 1 1 12 12 12 14 1 1 1 12 12 12 1 1 14 1 14 1 12 12 12 12 12 12 1 1 1 1 1 127 12.0000000 15.9949146 11.0093053 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 14.0030740 1.0078250 14.0030740 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 126.9004000 0 0 3 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 1 1 1 0 0 0 1 1 2 1 2 1 0 0 0 0 0 0 1 1 1 1 1 5 3.6000000 5.6000000 2.7500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 4.5500000 1.0000000 4.5500000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 5830.0000000 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l101.exe) Structure from the checkpoint file: "18_a_PhI.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 1220 A 1066 A 1066 1690 1220 101 100 2721.0342867428 42 42 42 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 Grimme-D2 -0.0452825111 0.000000 1.225336 0.000000 2.954103 4.179392 0.000000 1.488408 2.361745 2.542142 0.000000 1.489578 2.361776 2.541188 2.562002 0.000000 2.544646 3.647796 1.530509 2.960735 1.417424 0.000000 2.542057 3.646271 1.530324 1.416689 2.958304 2.634959 0.000000 2.486453 2.791384 3.824723 3.832579 1.399791 2.428416 4.356712 0.000000 3.757292 4.175409 4.293560 4.962032 2.401932 2.763692 5.198252 1.385880 0.000000 4.220543 4.956579 3.720367 5.104839 2.731912 2.315109 4.947934 2.394466 1.404009 0.000000 3.793545 4.780847 2.511030 4.325415 2.420838 1.366357 3.883037 2.798312 2.405152 1.321917 0.000000 2.661377 2.452978 4.688206 4.140951 2.148465 3.413269 4.952705 1.092415 2.175091 3.406395 3.890424 0.000000 4.650560 4.866255 5.383639 5.947477 3.405405 3.853771 6.268903 2.167055 1.091187 2.168223 3.375458 2.541034 0.000000 5.316547 6.035487 4.570780 6.166093 3.828150 3.293965 5.905974 3.390659 2.167124 1.096413 2.060173 4.323760 2.494599 0.000000 4.220131 4.959166 3.716676 2.732706 5.103259 4.946041 2.314282 6.463911 7.439526 7.254413 6.171659 6.863679 8.486745 8.205202 0.000000 3.756914 4.178367 4.290804 2.401744 4.961113 5.197492 2.761955 6.202913 7.356939 7.438913 6.529912 6.382441 8.334137 8.470401 1.404510 0.000000 2.487184 2.794693 3.824537 1.400058 3.833644 4.358749 2.427333 4.969956 6.204179 6.465027 5.722048 5.051567 7.128787 7.536988 2.395286 1.385635 0.000000 3.790696 4.779964 2.507028 2.419799 4.321827 3.880102 1.365089 5.719337 6.529819 6.171980 5.010092 6.295590 7.607859 7.065249 1.321123 2.403664 2.797070 0.000000 2.664305 2.459050 4.689365 2.149211 4.144463 4.956793 3.412629 5.053577 6.385121 6.865969 6.299844 4.896457 7.204540 7.958713 3.406949 2.174548 1.092417 3.889217 0.000000 5.315725 6.038369 4.564671 3.828611 6.163172 5.901678 3.292214 7.534800 8.469533 8.203044 7.062082 7.955932 9.528016 9.112496 1.096144 2.168996 3.392018 2.058785 4.325081 0.000000 4.650543 4.870002 5.380688 3.405171 5.946835 6.268065 3.852056 7.127661 8.333922 8.485597 7.607446 7.202184 9.279049 9.528113 2.168438 1.091203 2.166603 3.374118 2.539906 2.497128 0.000000 4.484038 5.708075 1.537398 3.938738 3.939937 2.661184 2.659479 5.084663 5.244892 4.315936 2.996797 6.044629 6.294105 4.888997 4.305112 5.235657 5.080083 2.988741 6.041515 4.873759 6.283669 0.000000 6.621852 7.836139 3.719508 5.859661 6.152835 4.855639 4.468570 7.262762 7.285522 6.187626 4.925348 8.241170 8.282452 6.510744 5.311575 6.545552 6.771858 4.165225 7.818443 5.448745 7.461049 2.228852 0.000000 6.623977 7.838301 3.720277 6.152893 5.863307 4.470645 4.855750 6.781228 6.560980 5.327536 4.173214 7.827278 7.479589 5.471608 6.175246 7.274405 7.257916 4.919067 8.237623 6.491550 8.268630 2.229926 1.366413 0.000000 7.534502 8.734673 4.690384 6.649708 7.166723 5.903540 5.246229 8.311452 8.363696 7.268014 6.009124 9.271135 9.361704 7.569224 5.699285 7.021174 7.426542 4.703239 8.498730 5.629201 7.846138 3.256841 1.085177 2.229794 0.000000 7.540469 8.740996 4.692888 7.169409 6.657607 5.251390 5.905315 7.441716 7.043150 5.720970 4.714375 8.513995 7.872393 5.658838 7.256147 8.353755 8.308887 6.003593 9.270373 7.549472 9.348647 3.259039 2.228810 1.085274 2.775221 0.000000 5.391874 6.594284 2.577503 5.101808 4.530164 3.122969 3.926937 5.419791 5.227615 4.040512 2.829823 6.470875 6.177948 4.320195 5.642370 6.561234 6.325811 4.329840 7.236116 6.173340 7.614591 1.345403 2.197778 1.374477 3.265277 2.165791 0.000000 5.229559 6.376383 2.752139 5.230631 4.136319 2.746844 4.253317 4.805974 4.412881 3.134922 2.051329 5.889346 5.298598 3.311573 6.227318 6.987704 6.553424 4.921934 7.365227 6.877453 8.067615 2.034054 3.215266 2.206610 4.268486 2.667764 1.030572 0.000000 5.390369 6.592895 2.578014 4.527968 5.101751 3.927632 3.122292 6.329114 6.569614 5.652233 4.336257 7.237768 7.624561 6.188434 4.027711 5.215792 5.412951 2.823210 6.464652 4.301907 6.164074 1.344247 1.372707 2.196987 2.162462 3.264074 2.152894 3.111576 0.000000 5.230558 6.377291 2.758032 4.136754 5.233691 4.258351 2.750609 6.558763 6.997796 6.239086 4.931797 7.368313 8.078783 6.893769 3.122307 4.401438 4.800333 2.048280 5.883799 3.292264 5.284435 2.036396 2.202095 3.213941 2.658096 4.266162 3.113661 4.006492 1.031371 0.000000 4.254458 4.976909 3.764738 3.602851 4.578844 4.386198 3.330592 5.597601 6.286378 6.078407 5.239207 6.067225 7.203842 6.883465 3.780687 4.050047 3.965187 3.455616 4.622713 4.345529 4.760182 4.214774 5.255898 5.648876 5.808900 6.521282 5.066448 5.393098 4.353916 4.065338 0.000000 5.124040 6.026248 3.761234 4.398413 5.167353 4.586959 3.680501 6.223758 6.684234 6.183132 5.204910 6.873634 7.631212 6.843293 4.163914 4.831767 4.932851 3.579340 5.743988 4.531542 5.589532 3.670855 4.203057 4.648345 4.657689 5.456322 4.346253 4.830587 3.565452 3.429622 1.393736 0.000000 5.406536 6.385725 3.677714 4.960784 5.053322 4.249336 4.144455 5.950729 6.123747 5.428674 4.505952 6.734050 7.019027 5.918438 5.174070 5.883562 5.785667 4.312171 6.585847 5.619749 6.748400 3.314630 3.785366 3.852037 4.374326 4.498655 3.566747 3.923629 3.456724 3.725113 2.427094 1.395075 0.000000 4.876085 5.776961 3.573279 4.826154 4.284895 3.612514 4.265257 4.935275 4.983270 4.376304 3.694824 5.713474 5.795613 4.848117 5.749183 6.227817 5.813035 4.837384 6.471040 6.396516 7.148536 3.561748 4.577238 4.282589 5.354841 4.842092 3.638498 3.615682 4.169576 4.551365 2.792087 2.405267 1.394105 0.000000 3.944573 4.665175 3.569154 4.111245 3.539637 3.339874 3.964692 4.101783 4.417059 4.208304 3.726149 4.698612 5.201858 4.885984 5.482088 5.646797 5.018948 4.748073 5.500570 6.271859 6.525946 4.113753 5.557187 5.345792 6.381062 6.009847 4.465128 4.326304 4.858953 5.048218 2.419286 2.779746 2.419397 1.393624 0.000000 3.570364 4.183045 3.666400 3.430702 3.721213 3.775280 3.490036 4.508932 5.182781 5.157880 4.558201 4.918091 6.018444 5.983332 4.548694 4.552335 4.023346 4.101630 4.477116 5.323038 5.329376 4.410138 5.847054 5.943671 6.573861 6.753826 5.111654 5.167304 4.937382 4.835273 1.394643 2.404788 2.792052 2.410860 1.392867 0.000000 4.465717 5.046072 4.335391 3.608381 5.103255 5.071751 3.520496 6.173616 7.022358 6.925624 6.075275 6.518370 7.943648 7.796063 3.324866 3.426718 3.568817 3.398522 4.174517 3.791539 3.954210 4.882417 5.861242 6.428749 6.313541 7.355868 5.884071 6.279386 4.865690 4.358293 1.091333 2.165352 3.417809 3.883224 3.407019 2.158854 0.000000 6.312681 7.352306 4.210444 5.814301 5.854650 4.869565 4.827436 6.743736 6.769645 5.895555 4.927959 7.602164 7.650816 6.236223 5.773304 6.650816 6.664447 4.844041 7.528519 6.085753 7.512096 3.442261 3.277572 3.316958 3.728453 3.806768 3.413231 3.891333 3.356318 3.786597 3.417158 2.165423 1.091865 2.160682 3.409051 3.883882 4.321071 0.000000 5.489657 6.394309 4.042192 5.608668 4.634662 3.841800 5.009181 5.077115 4.820655 4.041365 3.519405 5.930397 5.530492 4.278620 6.671801 7.188336 6.707857 5.656851 7.351111 7.324718 8.146254 3.849250 4.738931 4.141631 5.550418 4.483809 3.535058 3.306605 4.570029 5.144582 3.883908 3.394524 2.152898 1.091928 2.158561 3.401607 4.974934 2.481552 0.000000 3.927141 4.485088 4.030160 4.472503 3.320704 3.366496 4.541905 3.505714 3.701322 3.704267 3.572440 4.032961 4.346770 4.350971 6.253686 6.269429 5.439763 5.515774 5.766203 7.126203 7.149289 4.726411 6.336432 5.949296 7.229969 6.534296 4.941442 4.579559 5.652900 5.910840 3.407660 3.871285 3.408207 2.159000 1.091748 2.157560 4.306436 4.309650 2.488646 0.000000 3.227576 3.537645 4.185035 3.293852 3.660928 4.109285 3.784365 4.309972 5.182239 5.443562 5.009592 4.478765 5.940417 6.345216 4.731971 4.401674 3.677238 4.496035 3.875727 5.579916 5.077315 5.183153 6.787011 6.889293 7.532547 7.724696 5.957542 5.937288 5.773845 5.584494 2.151992 3.393015 3.883974 3.402663 2.159321 1.092069 2.476665 4.975746 4.306375 2.488824 0.000000 6.673856 7.584972 5.036950 5.600787 6.900619 6.220785 4.696767 8.094872 8.598870 7.997567 6.875143 8.747370 9.594677 8.626007 4.226614 5.200612 5.818981 3.948642 6.727036 4.055305 5.729083 4.584362 4.219717 5.146261 4.175364 5.926525 5.315410 6.082321 3.821911 3.393446 3.047526 2.108824 3.047729 4.359705 4.888501 4.360008 3.122858 3.119944 5.199319 5.979908 5.198202 0.000000 C20H15BIN4O(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 449.9556699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,11,18,29,27,2;35,34,36,33,31,32,42/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(16,17)(18,19);(2,3)(4,5)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.2,17.2,20.1;1.3,2.3,3.3,4.3,5.3,6.3/rA:42nC3O1BC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHC3C3C3C3C3C3HHHHHI/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s24;s27;s22s23;s29;;s31;s32;s33;s34;s31s35;s31;s33;s34;s35;s36;s32;/rC:2.9284,1.795,-.1505;3.6322,2.7108,.2588;1.2204,-.4166,-1.1087;1.6043,2.0735,-.7704;3.3629,.3784,.0027;2.567,-.7069,-.4419;.7636,1.0375,-1.2466;4.5748,.1128,.6508;4.9594,-1.2037,.8496;4.1067,-2.2212,.3925;2.9604,-1.9976,-.2267;5.1813,.9554,.9909;5.8947,-1.4567,1.3514;4.3829,-3.2709,.5476;-.8786,2.5724,-1.7971;-.1056,3.657,-1.3512;1.1536,3.3975,-.8345;-.4714,1.3163,-1.7571;1.8058,4.191,-.4624;-1.8827,2.7482,-2.2002;-.4994,4.6727,-1.4137;.2534,-1.5656,-1.4378;-1.6072,-2.6871,-1.9358;-.6702,-3.5934,-1.5262;-2.6342,-2.8303,-2.2557;-.729,-4.6731,-1.4335;.4664,-2.8782,-1.233;1.3839,-3.1518,-.8519;-1.0101,-1.4522,-1.8823;-1.3715,-.5005,-2.0477;-.847,1.0619,1.6686;-1.6076,-.0603,1.3454;-1.12,-1.3478,1.5711;.1508,-1.506,2.122;.9224,-.3922,2.4479;.4206,.8875,2.2233;-1.2236,2.067,1.4709;-1.7175,-2.2226,1.3069;.5461,-2.5112,2.282;1.926,-.5218,2.8578;1.0277,1.7645,2.4579;-3.518,.1902,.4882; 0.2446841 0.1277624 0.1086274 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 53. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1207 1207 1207 1207 1207 MxSgAt= 42 MxSgA2= 42. 1 open 1 1 1 -1387.53866233433 -1387.81281347788 -0.274151143549 -1388.09556586200 -0.282752384118 -1388.09593951716 -0.000373655158 -1388.09602433363 -0.000084816473 -1388.09605026541 -0.000025931785 -1388.09605194252 -0.000001677102 -1388.09605235948 -0.000000416966 -1388.09605250920 -0.000000149716 -1388.09605260192 -0.000000092726 -1388.09605266048 -0.000000058553 -1388.09605268068 -0.000000020207 -1388.09605268562 -0.000000004938 -1388.09605268704 -0.000000001418 -1388.09605268738 -0.000000000338 -1388.09605268746 -0.000000000085 -1388.09605269 16 0.7783 1.198158179951e+03 -8.610278530739e+03 3.303035293869e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1569861348 LenY= 1568371728 Requested convergence on RMS density matrix=1.00D-08 within 32 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.7783 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 C O B C C C C C C C N H H H C C C N H H H C C C H H N H N H C C C C C C H H H H H I 13 17 11 13 13 13 13 13 13 13 14 1 1 1 13 13 13 14 1 1 1 13 13 13 1 1 14 1 14 1 13 13 13 13 13 13 1 1 1 1 1 127 -0.01207 0.01797 0.00698 0.00533 0.00530 -0.02239 -0.02248 -0.00865 0.00745 -0.00821 0.00886 0.00078 -0.00156 0.00075 -0.00817 0.00738 -0.00861 0.00881 0.00078 0.00075 -0.00154 -0.02365 -0.00233 -0.00201 -0.00032 -0.00037 0.01001 -0.00123 0.01019 -0.00123 0.00032 -0.00014 0.00082 0.00034 0.00059 0.00010 -0.00002 -0.00005 -0.00002 -0.00004 0.00005 -0.00000 -13.56746 -10.89560 10.01700 5.99283 5.96180 -25.16881 -25.26828 -9.72566 8.37023 -9.23293 2.86387 3.47807 -6.96879 3.36195 -9.18004 8.30092 -9.67993 2.84586 3.47555 3.36500 -6.89856 -26.58271 -2.61395 -2.25581 -1.42654 -1.66253 3.23474 -5.51511 3.29306 -5.49978 0.36440 -0.15859 0.92291 0.37799 0.66071 0.11045 -0.07870 -0.22324 -0.09884 -0.17819 0.21092 -0.00009 -4.84121 -3.88782 3.57431 2.13839 2.12732 -8.98086 -9.01635 -3.47036 2.98671 -3.29454 1.02190 1.24106 -2.48664 1.19963 -3.27567 2.96198 -3.45404 1.01547 1.24016 1.20072 -2.46158 -9.48537 -0.93272 -0.80493 -0.50903 -0.59323 1.15423 -1.96793 1.17505 -1.96246 0.13003 -0.05659 0.32932 0.13488 0.23576 0.03941 -0.02808 -0.07966 -0.03527 -0.06358 0.07526 -0.00003 -4.52562 -3.63438 3.34131 1.99899 1.98864 -8.39541 -8.42859 -3.24413 2.79201 -3.07978 0.95528 1.16016 -2.32454 1.12143 -3.06213 2.76889 -3.22888 0.94928 1.15932 1.12244 -2.30111 -8.86704 -0.87192 -0.75246 -0.47584 -0.55456 1.07899 -1.83964 1.09845 -1.83453 0.12155 -0.05290 0.30785 0.12609 0.22039 0.03684 -0.02625 -0.07446 -0.03297 -0.05944 0.07035 -0.00003 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 -0.000713 -0.121233 -0.065868 -0.028127 -0.018763 0.006461 0.006721 0.010667 -0.015959 0.013763 -0.030330 0.002103 0.005572 0.002844 0.014281 -0.033078 0.017129 -0.047817 0.000559 -0.001984 -0.004471 0.004023 -0.006013 -0.007001 0.002751 -0.002065 -0.061684 0.004421 -0.067651 -0.001801 -0.000020 0.001689 -0.000357 -0.001977 -0.002502 -0.001346 0.000208 0.000338 -0.001296 -0.001273 -0.001039 0.001259 0.001630 -0.294403 -0.130674 -0.058348 -0.063085 0.010892 0.010661 0.030766 -0.060666 0.027995 -0.086156 -0.000252 -0.007151 -0.001927 0.035495 -0.052921 0.030519 -0.084055 0.002220 0.004228 0.005724 0.010701 -0.008670 -0.009688 -0.001724 0.003482 -0.084256 -0.001841 -0.092888 0.005304 -0.001198 -0.001314 -0.003277 -0.001564 -0.002657 -0.000859 -0.000187 -0.000654 -0.000282 -0.001421 -0.000971 -0.000919 -0.000918 0.415635 0.196543 0.086475 0.081849 -0.017353 -0.017382 -0.041432 0.076625 -0.041759 0.116486 -0.001851 0.001580 -0.000917 -0.049776 0.085999 -0.047648 0.131872 -0.002779 -0.002244 -0.001254 -0.014724 0.014684 0.016689 -0.001027 -0.001417 0.145940 -0.002580 0.160538 -0.003503 0.001218 -0.000375 0.003634 0.003541 0.005158 0.002206 -0.000021 0.000316 0.001579 0.002695 0.002009 -0.000341 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 0.009611 0.022754 -0.000164 0.008053 0.003994 -0.001686 0.000619 -0.003773 -0.001499 0.000158 -0.005573 -0.003947 -0.003684 0.000212 -0.005052 0.004500 -0.007303 0.004645 -0.004495 -0.000782 -0.005529 0.003640 0.001397 0.000592 0.001135 0.000781 -0.009048 -0.003217 -0.003267 -0.004046 -0.000860 -0.000313 0.001092 0.001187 0.000529 0.000028 -0.000961 0.001368 0.000410 0.000182 0.000093 -0.000226 -0.000333 -0.354332 -0.145619 -0.072571 -0.076923 0.007903 0.014745 0.040152 -0.071404 0.042449 -0.103353 0.002696 0.002959 0.002774 0.032792 -0.061996 0.034129 -0.091733 0.001266 0.000157 -0.002487 0.011959 -0.007540 -0.010946 0.001210 -0.000330 -0.087956 0.003932 -0.075291 0.001609 -0.002498 -0.002270 -0.004609 -0.001962 -0.000827 -0.001300 -0.001459 -0.001620 -0.000637 0.000339 -0.001276 -0.000986 0.003446 -0.048152 0.002568 -0.016794 -0.006559 0.000003 -0.004201 -0.001183 -0.000712 -0.000484 0.003033 -0.002002 -0.001995 0.000172 0.008783 -0.016540 0.006930 -0.020706 -0.001552 0.000319 -0.001814 0.002841 0.001853 0.003554 0.000415 -0.000225 0.031911 -0.000962 0.021343 -0.001610 0.001290 0.000384 -0.000860 -0.002681 -0.000176 0.002003 0.000936 -0.000649 -0.001716 -0.000646 0.001365 0.000104 0.6972 -0.6609 0.2776 -0.344 0.0313 0.9384 0.6289 0.7498 0.2055 -0.01 -7.0E-4 0.0106 -1.336 -0.091 1.427 -0.477 -0.033 0.509 -0.446 -0.03 0.476 1 C 13 0.573 0.7481 0.3347 0.6887 -0.6609 0.298 -0.4442 -0.0598 0.8939 -0.2985 -0.2964 0.5949 21.601 21.447 -43.048 7.708 7.653 -15.361 7.205 7.154 -14.359 2 O 17 -0.6412 0.7104 -0.2901 0.6508 0.7038 0.2849 -0.4066 0.0062 0.9136 -0.1316 -0.1298 0.2614 -22.528 -22.221 44.749 -8.038 -7.929 15.968 -7.514 -7.412 14.927 3 B 11 0.8985 0.025 0.4382 -0.067 0.9945 0.0807 -0.4338 -0.1019 0.8953 -0.0633 -0.0603 0.1235 -8.493 -8.085 16.579 -3.031 -2.885 5.916 -2.833 -2.697 5.53 4 C 13 -0.1304 0.9912 -0.0243 0.87 0.1261 0.4766 -0.4754 -0.041 0.8788 -0.0634 -0.0603 0.1238 -8.514 -8.094 16.609 -3.038 -2.888 5.926 -2.84 -2.7 5.54 5 C 13 -0.2896 -0.016 0.957 0.8369 0.4809 0.2613 -0.4644 0.8766 -0.1259 -0.0197 0.008 0.0118 -2.65 1.068 1.581 -0.945 0.381 0.564 -0.884 0.356 0.528 6 C 13 -0.4224 0.1138 0.8993 0.3815 0.9223 0.0625 0.8222 -0.3694 0.4329 -0.0248 0.0106 0.0142 -3.333 1.427 1.906 -1.189 0.509 0.68 -1.112 0.476 0.636 7 C 13 -0.4776 -0.0081 0.8785 0.5474 0.7793 0.3048 0.6871 -0.6265 0.3678 -0.0633 0.0277 0.0356 -8.488 3.711 4.777 -3.029 1.324 1.705 -2.831 1.238 1.593 8 C 13 0.2225 0.9675 0.1204 0.85 -0.253 0.4621 -0.4775 5.0E-4 0.8786 -0.0611 -0.0543 0.1154 -8.199 -7.291 15.49 -2.926 -2.601 5.527 -2.735 -2.432 5.167 9 C 13 -0.4757 0.0054 0.8796 0.0118 0.9999 2.0E-4 0.8795 -0.0105 0.4758 -0.0647 0.028 0.0367 -8.685 3.757 4.928 -3.099 1.341 1.758 -2.897 1.253 1.644 10 C 13 0.5181 0.8183 0.2488 0.7217 -0.5744 0.3862 -0.4589 0.0205 0.8882 -0.0888 -0.0812 0.17 -3.423 -3.131 6.555 -1.222 -1.117 2.339 -1.142 -1.045 2.186 11 N 14 -0.4262 0.0427 0.9036 0.5161 0.8318 0.2041 0.743 -0.5534 0.3765 -0.0032 -0.0032 0.0064 -1.717 -1.703 3.42 -0.613 -0.608 1.22 -0.573 -0.568 1.141 12 H 1 0.2295 0.9651 0.1262 -0.4712 -0.0033 0.882 0.8517 -0.2619 0.4539 -0.0083 0.0 0.0083 -4.422 0.004 4.419 -1.578 0.001 1.577 -1.475 0.001 1.474 13 H 1 -0.4613 -0.1147 0.8798 -0.0914 0.9925 0.0814 0.8825 0.0429 0.4683 -0.0024 -0.0019 0.0043 -1.277 -1.031 2.308 -0.456 -0.368 0.824 -0.426 -0.344 0.77 14 H 1 -0.3874 -0.1 0.9165 0.9061 0.1421 0.3985 -0.1701 0.9848 0.0355 -0.0646 0.0279 0.0367 -8.668 3.745 4.923 -3.093 1.336 1.757 -2.891 1.249 1.642 15 C 13 0.839 0.3719 0.3972 -0.3808 0.9227 -0.0597 -0.3887 -0.1011 0.9158 -0.0604 -0.0537 0.1141 -8.11 -7.207 15.317 -2.894 -2.572 5.465 -2.705 -2.404 5.109 16 C 13 -0.3966 -0.0984 0.9127 0.6055 0.7193 0.3406 0.69 -0.6877 0.2257 -0.0632 0.0277 0.0356 -8.484 3.711 4.773 -3.027 1.324 1.703 -2.83 1.238 1.592 17 C 13 0.6572 0.6752 0.335 -0.6479 0.7331 -0.2066 -0.3851 -0.0813 0.9193 -0.0898 -0.0823 0.1721 -3.464 -3.175 6.639 -1.236 -1.133 2.369 -1.155 -1.059 2.214 18 N 14 0.1852 0.4077 0.8941 0.7587 0.519 -0.3938 -0.6246 0.7513 -0.2133 -0.0032 -0.0032 0.0064 -1.72 -1.693 3.413 -0.614 -0.604 1.218 -0.574 -0.565 1.139 19 H 1 -0.5326 -0.1036 0.84 0.8376 0.078 0.5407 -0.1215 0.9916 0.0452 -0.0024 -0.002 0.0043 -1.271 -1.043 2.315 -0.454 -0.372 0.826 -0.424 -0.348 0.772 20 H 1 0.8335 0.3829 0.3984 -0.3948 -0.0918 0.9142 -0.3866 0.9192 -0.0746 -0.0082 0.0 0.0082 -4.375 0.001 4.374 -1.561 0.001 1.561 -1.459 0.0 1.459 21 H 1 -0.4333 -0.0314 0.9007 0.6768 -0.6713 0.3022 0.5951 0.7405 0.3121 -0.0206 0.0058 0.0148 -2.761 0.772 1.989 -0.985 0.275 0.71 -0.921 0.257 0.664 22 C 13 -0.6373 0.7308 -0.2445 0.7074 0.6806 0.1905 -0.3056 0.0516 0.9508 -0.0105 -0.0067 0.0172 -1.41 -0.899 2.309 -0.503 -0.321 0.824 -0.47 -0.3 0.77 23 C 13 0.7402 -0.5761 0.3467 0.5695 0.8113 0.132 -0.3573 0.0997 0.9286 -0.0126 -0.0087 0.0213 -1.689 -1.167 2.856 -0.603 -0.416 1.019 -0.563 -0.389 0.953 24 C 13 -0.1842 0.9663 -0.18 -0.3091 0.1169 0.9438 0.933 0.2295 0.2771 -0.002 -0.0014 0.0034 -1.077 -0.732 1.809 -0.384 -0.261 0.645 -0.359 -0.244 0.603 25 H 1 0.9371 -0.1142 0.3299 -0.3201 0.096 0.9425 0.1393 0.9888 -0.0535 -0.0023 -0.0013 0.0036 -1.214 -0.709 1.923 -0.433 -0.253 0.686 -0.405 -0.236 0.641 26 H 1 0.8631 -0.3522 0.3619 0.3729 0.9278 0.0137 -0.3406 0.1232 0.9321 -0.0949 -0.0874 0.1823 -3.659 -3.372 7.031 -1.306 -1.203 2.509 -1.221 -1.125 2.345 27 N 14 -0.469 -0.266 0.8422 0.1869 0.9021 0.3889 0.8632 -0.3398 0.3733 -0.0045 -0.0029 0.0074 -2.383 -1.559 3.942 -0.85 -0.556 1.407 -0.795 -0.52 1.315 28 H 1 -0.4189 0.8865 -0.1966 0.8618 0.4564 0.2213 -0.2859 0.0768 0.9552 -0.0961 -0.0887 0.1848 -3.706 -3.421 7.127 -1.322 -1.221 2.543 -1.236 -1.141 2.377 29 N 14 -0.6419 -0.14 0.7539 0.6433 0.4367 0.6289 -0.4173 0.8886 -0.1902 -0.0046 -0.003 0.0075 -2.44 -1.588 4.028 -0.871 -0.566 1.437 -0.814 -0.53 1.344 30 H 1 0.6869 -0.3131 0.6559 0.435 0.9001 -0.0258 -0.5823 0.303 0.7544 -0.002 -0.0017 0.0037 -0.27 -0.222 0.492 -0.096 -0.079 0.175 -0.09 -0.074 0.164 31 C 13 0.4971 -0.2818 0.8207 0.2377 0.9538 0.1835 0.8345 -0.1039 -0.5411 -0.0019 -0.0013 0.0032 -0.252 -0.177 0.429 -0.09 -0.063 0.153 -0.084 -0.059 0.143 32 C 13 -0.619 0.7268 -0.2976 0.5616 0.6745 0.4792 -0.549 -0.1295 0.8257 -0.0039 -0.003 0.0068 -0.517 -0.4 0.917 -0.185 -0.143 0.327 -0.173 -0.133 0.306 33 C 13 -0.657 0.746 0.1087 0.6938 0.5419 0.4743 -0.2949 -0.3871 0.8736 -0.003 -0.0024 0.0054 -0.403 -0.321 0.723 -0.144 -0.114 0.258 -0.134 -0.107 0.241 34 C 13 -0.6793 0.732 -0.0522 0.7259 0.6806 0.099 -0.108 -0.0293 0.9937 -0.0031 -0.0021 0.0053 -0.421 -0.284 0.705 -0.15 -0.101 0.252 -0.14 -0.095 0.235 35 C 13 -0.6221 0.6347 -0.4583 0.7466 0.6572 -0.1033 -0.2357 0.4064 0.8828 -0.0023 -0.0011 0.0035 -0.313 -0.153 0.466 -0.112 -0.055 0.166 -0.104 -0.051 0.156 36 C 13 0.6572 -0.0602 0.7513 0.3944 0.8769 -0.2747 0.6423 -0.4769 -0.6 -0.0014 -9.0E-4 0.0023 -0.732 -0.487 1.219 -0.261 -0.174 0.435 -0.244 -0.163 0.407 37 H 1 0.6817 -0.6539 0.3283 0.2607 0.6364 0.726 0.6836 0.4093 -0.6043 -0.0018 -8.0E-4 0.0026 -0.936 -0.445 1.381 -0.334 -0.159 0.493 -0.312 -0.149 0.461 38 H 1 0.9667 -0.2479 0.0631 0.1774 0.8275 0.5327 -0.1843 -0.5037 0.844 -0.0014 -0.0013 0.0027 -0.77 -0.693 1.463 -0.275 -0.247 0.522 -0.257 -0.231 0.488 39 H 1 -0.5291 0.8325 0.1645 0.8452 0.5342 0.0153 0.0752 -0.1471 0.9863 -0.0017 -0.0012 0.0028 -0.888 -0.615 1.503 -0.317 -0.219 0.536 -0.296 -0.205 0.501 40 H 1 0.6429 -0.6375 0.4245 0.7102 0.7038 -0.0186 -0.2869 0.3134 0.9053 -0.002 -9.0E-4 0.0029 -1.053 -0.487 1.54 -0.376 -0.174 0.549 -0.351 -0.162 0.514 41 H 1 PT49702.400S 2024-09-26T03:24:42.000 -19.21450 -14.50685 -14.50535 -14.43522 -14.43239 -10.35782 -10.35695 -10.35029 -10.34926 -10.34089 -10.32674 -10.32411 -10.30421 -10.30192 -10.30185 -10.30060 -10.30022 -10.30002 -10.29880 -10.29760 -10.29632 -10.29372 -10.29231 -10.28986 -10.28875 -6.96230 -6.79689 -4.98211 -4.97047 -4.97031 -2.01669 -2.01290 -2.01277 -2.00276 -2.00275 -1.16372 -1.12430 -1.04140 -1.03980 -1.02488 -0.97053 -0.90879 -0.90020 -0.89213 -0.87325 -0.86831 -0.85651 -0.84757 -0.78439 -0.76200 -0.75776 -0.74340 -0.73337 -0.72225 -0.70933 -0.70004 -0.68832 -0.68652 -0.64160 -0.61389 -0.61176 -0.61059 -0.59065 -0.57667 -0.57164 -0.56191 -0.55797 -0.55425 -0.55056 -0.54549 -0.54492 -0.54407 -0.52069 -0.51312 -0.50277 -0.49587 -0.49281 -0.48707 -0.48515 -0.47624 -0.47487 -0.47353 -0.46247 -0.43840 -0.43734 -0.42831 -0.41398 -0.41162 -0.38518 -0.37787 -0.36887 -0.35982 -0.35131 -0.34809 -0.34432 -0.34249 -0.33766 -0.32622 -0.32333 -0.31158 -0.21351 -0.00681 0.03420 0.03700 0.04202 0.04584 0.04944 0.05319 0.07409 0.09991 0.11728 0.12490 0.12733 0.13178 0.13697 0.14129 0.14293 0.15116 0.15572 0.16157 0.16695 0.17519 0.17700 0.18033 0.18130 0.18246 0.19877 0.20072 0.20249 0.20895 0.21404 0.21775 0.21898 0.22336 0.22590 0.23255 0.23412 0.24667 0.25330 0.25702 0.26065 0.26186 0.26716 0.27038 0.27644 0.27954 0.28254 0.28556 0.28848 0.29283 0.29565 0.29915 0.30433 0.30674 0.30931 0.31164 0.31788 0.31982 0.32438 0.32998 0.33338 0.33463 0.33592 0.34454 0.35129 0.35730 0.35859 0.35970 0.36416 0.37054 0.37951 0.38437 0.38615 0.39374 0.39718 0.39773 0.39966 0.40431 0.40787 0.41077 0.41291 0.41857 0.42206 0.42545 0.43132 0.43334 0.43738 0.44301 0.44786 0.44839 0.45438 0.45843 0.46232 0.46610 0.47229 0.47590 0.47731 0.48000 0.48579 0.48621 0.48963 0.49297 0.49679 0.50094 0.50406 0.50737 0.51164 0.51367 0.51840 0.52523 0.52893 0.52958 0.53244 0.53863 0.54131 0.54382 0.54944 0.55151 0.55299 0.55671 0.55933 0.56428 0.57223 0.57273 0.57831 0.58313 0.58596 0.59229 0.59555 0.60258 0.60745 0.61134 0.61606 0.62066 0.62536 0.62653 0.64246 0.64592 0.64950 0.65702 0.66772 0.66934 0.67457 0.68465 0.68982 0.69358 0.70116 0.70350 0.71047 0.71086 0.71522 0.72115 0.72580 0.73309 0.73562 0.73743 0.73882 0.74234 0.74635 0.74895 0.75250 0.75545 0.76073 0.76684 0.77054 0.77583 0.77999 0.78228 0.78406 0.78899 0.79419 0.80296 0.80630 0.80825 0.81248 0.81425 0.81899 0.82213 0.83016 0.83402 0.83753 0.83987 0.84575 0.84799 0.85328 0.85476 0.85919 0.86630 0.86900 0.87484 0.88484 0.88941 0.89438 0.90388 0.91034 0.91633 0.91834 0.92211 0.92809 0.93143 0.94157 0.94539 0.94890 0.95229 0.95451 0.95800 0.96232 0.96735 0.97358 0.97716 0.98592 0.98942 0.99395 1.00307 1.00472 1.00614 1.01385 1.02074 1.02483 1.03302 1.04116 1.04858 1.04923 1.05449 1.05845 1.06719 1.06993 1.07263 1.07992 1.08639 1.09798 1.10070 1.10387 1.11010 1.11532 1.11957 1.12536 1.12580 1.13126 1.13707 1.14489 1.15420 1.15545 1.15979 1.16198 1.17305 1.17661 1.18367 1.19201 1.19779 1.20159 1.20858 1.21518 1.22067 1.22914 1.23337 1.23556 1.24061 1.24240 1.24704 1.24864 1.25239 1.26101 1.26447 1.27212 1.27698 1.28538 1.28944 1.29265 1.30101 1.30384 1.31039 1.32464 1.33049 1.33630 1.33938 1.34564 1.35157 1.35635 1.36148 1.36498 1.36809 1.37651 1.37880 1.38348 1.39097 1.39594 1.39966 1.40260 1.40612 1.40712 1.41330 1.42031 1.42515 1.42855 1.43471 1.43846 1.44550 1.44747 1.45210 1.45317 1.45671 1.46159 1.46416 1.47088 1.47465 1.48047 1.48731 1.49886 1.50079 1.50963 1.51466 1.52056 1.52444 1.53256 1.53638 1.54063 1.54237 1.54656 1.55047 1.56163 1.56342 1.56844 1.57211 1.58160 1.58437 1.59109 1.59778 1.60212 1.60554 1.61282 1.61951 1.62902 1.63396 1.64123 1.64892 1.65095 1.65212 1.65853 1.66749 1.66930 1.68063 1.68302 1.68828 1.69247 1.70205 1.70963 1.71773 1.72425 1.72851 1.73392 1.74227 1.74394 1.75467 1.75611 1.76044 1.76666 1.76944 1.78066 1.78791 1.79652 1.80146 1.80322 1.81741 1.81974 1.82196 1.83140 1.83956 1.84405 1.84819 1.85501 1.86676 1.87788 1.88233 1.88609 1.89456 1.90356 1.90885 1.91614 1.91901 1.92398 1.93641 1.93753 1.94235 1.94648 1.95361 1.96601 1.97551 1.98065 1.98414 1.99588 1.99726 2.00820 2.01549 2.01726 2.02573 2.04167 2.04885 2.05435 2.05936 2.07019 2.08545 2.09167 2.09315 2.10087 2.10980 2.11277 2.11881 2.12783 2.13920 2.15034 2.16179 2.16926 2.17861 2.18928 2.19980 2.21490 2.21901 2.23177 2.23842 2.24761 2.25446 2.26151 2.27659 2.28486 2.29631 2.30266 2.30679 2.31463 2.32878 2.33592 2.35219 2.36125 2.37834 2.38450 2.39263 2.39950 2.39960 2.40787 2.41251 2.42127 2.42273 2.42855 2.43055 2.43686 2.43985 2.44457 2.45680 2.46949 2.47573 2.48599 2.49267 2.49772 2.52330 2.53074 2.53854 2.55599 2.56260 2.57462 2.57538 2.58499 2.59325 2.60476 2.61901 2.62726 2.63274 2.64465 2.65983 2.67461 2.67829 2.68535 2.68909 2.69817 2.70598 2.72467 2.73479 2.74267 2.75259 2.76392 2.77290 2.77735 2.78295 2.78627 2.78900 2.79274 2.79969 2.80394 2.80911 2.81229 2.81685 2.81934 2.83793 2.84144 2.85051 2.85348 2.86071 2.86916 2.87310 2.87605 2.88413 2.88525 2.89205 2.89978 2.91649 2.92274 2.92663 2.93424 2.94142 2.94516 2.96069 2.96317 2.97129 2.98481 2.98619 2.99273 2.99645 3.00827 3.01025 3.02009 3.02895 3.03330 3.04364 3.05191 3.05254 3.05783 3.06680 3.06903 3.07704 3.08152 3.08212 3.08580 3.09246 3.09996 3.10510 3.10829 3.11199 3.11527 3.12228 3.12329 3.13146 3.13298 3.14004 3.14366 3.14510 3.14934 3.15597 3.15847 3.16233 3.16448 3.16783 3.17254 3.17527 3.18609 3.19220 3.19431 3.19609 3.19790 3.20036 3.20512 3.20840 3.21432 3.21917 3.22160 3.22426 3.22680 3.22901 3.24187 3.24371 3.24487 3.25618 3.26112 3.26795 3.27600 3.27792 3.28062 3.28727 3.29004 3.29855 3.30215 3.30538 3.31046 3.31598 3.31730 3.32389 3.32429 3.33088 3.33227 3.33658 3.34286 3.34950 3.35575 3.36663 3.37460 3.37944 3.38064 3.38809 3.40274 3.40749 3.40954 3.41295 3.41880 3.42156 3.42767 3.43323 3.43424 3.44158 3.44430 3.44690 3.45329 3.46033 3.46173 3.47036 3.47288 3.47613 3.48504 3.48871 3.49299 3.49842 3.50428 3.51016 3.51589 3.51974 3.52233 3.53038 3.53472 3.53562 3.53928 3.55185 3.56100 3.56368 3.56633 3.57196 3.57870 3.57980 3.58860 3.59229 3.59653 3.60100 3.60443 3.60847 3.61311 3.61990 3.62366 3.62806 3.63231 3.63629 3.64341 3.65020 3.65444 3.66682 3.66799 3.67655 3.68222 3.68548 3.69767 3.70128 3.70305 3.71686 3.72538 3.72655 3.73416 3.74349 3.74653 3.75722 3.76431 3.76494 3.77677 3.78409 3.79113 3.79638 3.80337 3.81340 3.82364 3.83436 3.83901 3.84220 3.85220 3.85391 3.85485 3.85923 3.86284 3.86747 3.87440 3.87713 3.88604 3.89085 3.90209 3.90954 3.91222 3.91590 3.92085 3.93118 3.93521 3.94356 3.94495 3.95065 3.95519 3.96476 3.96976 3.97117 3.97256 3.97582 3.98590 3.99538 3.99980 4.00737 4.01542 4.01968 4.02317 4.03555 4.04188 4.04276 4.04778 4.05245 4.06369 4.06852 4.07814 4.08171 4.10108 4.12321 4.12516 4.12892 4.13915 4.14366 4.15326 4.15539 4.17483 4.17940 4.19740 4.20196 4.20767 4.21423 4.22006 4.22518 4.23137 4.24005 4.24518 4.25097 4.25954 4.26936 4.27458 4.28750 4.29043 4.29350 4.29942 4.31061 4.31368 4.32191 4.33005 4.33982 4.34207 4.35666 4.35900 4.37462 4.38088 4.38343 4.38460 4.39148 4.39521 4.40391 4.40602 4.40840 4.40982 4.41477 4.42058 4.42635 4.43274 4.44124 4.45055 4.45201 4.45910 4.46493 4.46877 4.47954 4.48109 4.49841 4.51053 4.52222 4.53083 4.54910 4.56041 4.56106 4.56856 4.57570 4.58321 4.59247 4.59431 4.60643 4.62590 4.62619 4.63798 4.64904 4.65901 4.66551 4.67876 4.67996 4.70571 4.72285 4.73116 4.73920 4.75141 4.75360 4.76721 4.78023 4.79392 4.80692 4.80979 4.81490 4.82377 4.82560 4.83757 4.84449 4.85599 4.86161 4.86380 4.86819 4.87332 4.88412 4.89822 4.90166 4.91316 4.91770 4.92865 4.93765 4.94642 4.95959 4.98529 5.00203 5.00241 5.01452 5.01667 5.02469 5.03091 5.05678 5.06133 5.06711 5.07258 5.10053 5.10225 5.10608 5.11514 5.13291 5.15987 5.17755 5.18168 5.19084 5.19424 5.20091 5.22653 5.24116 5.24330 5.25823 5.26442 5.26550 5.27288 5.27877 5.28777 5.31620 5.32818 5.34743 5.35098 5.35217 5.36728 5.37927 5.38885 5.39323 5.40237 5.40343 5.41826 5.41880 5.43275 5.43675 5.44037 5.44599 5.45162 5.46200 5.47023 5.47521 5.50112 5.50734 5.50977 5.54641 5.55022 5.57022 5.57517 5.59118 5.60412 5.64604 5.66222 5.68524 5.71269 5.71492 5.72919 5.73756 5.75450 5.76014 5.76788 5.77791 5.81006 5.81545 5.82435 5.82993 5.91069 5.92446 5.93418 5.93791 5.99633 5.99869 6.02455 6.02968 6.05530 6.07203 6.10209 6.11239 6.15031 6.18901 6.20484 6.23268 6.24859 6.28565 6.35587 6.50361 6.52684 6.53348 6.57320 6.64664 6.70709 6.80303 6.81435 6.94198 6.95261 7.02447 7.14656 7.24329 7.35169 16.04341 22.84246 23.01175 23.04012 23.05546 23.15537 23.17516 23.24588 23.26720 23.27488 23.30648 23.33154 23.34882 23.37141 23.41603 23.53220 23.65389 23.69732 23.74663 23.95260 24.05823 32.86986 32.90507 33.05954 33.07246 34.80654 34.86705 35.18651 43.00696 44.20575 119.74774 -19.21107 -14.50543 -14.50390 -14.43386 -14.43100 -10.35845 -10.35721 -10.35012 -10.34913 -10.34090 -10.32747 -10.32484 -10.30417 -10.30258 -10.30192 -10.30132 -10.30087 -10.30001 -10.29949 -10.29759 -10.29630 -10.29249 -10.29109 -10.28855 -10.28745 -6.96230 -6.79387 -4.98211 -4.97046 -4.97030 -2.01669 -2.01290 -2.01277 -2.00276 -2.00275 -1.16180 -1.11773 -1.03946 -1.03784 -1.02177 -0.97049 -0.90586 -0.89855 -0.89019 -0.87133 -0.86817 -0.85644 -0.84645 -0.78434 -0.75936 -0.75601 -0.74248 -0.72919 -0.72052 -0.70929 -0.69993 -0.68818 -0.68426 -0.63964 -0.61303 -0.61092 -0.60750 -0.58955 -0.57561 -0.56644 -0.56144 -0.55699 -0.55052 -0.54990 -0.54510 -0.54419 -0.54267 -0.51841 -0.50841 -0.50016 -0.49373 -0.49175 -0.48642 -0.48288 -0.47502 -0.47222 -0.47171 -0.45337 -0.43708 -0.43581 -0.41874 -0.41380 -0.40949 -0.37925 -0.36760 -0.36289 -0.34898 -0.34707 -0.34526 -0.34303 -0.33994 -0.33102 -0.32224 -0.31962 -0.31038 -0.02960 0.00277 0.03426 0.03799 0.04637 0.05384 0.05568 0.06461 0.07778 0.10005 0.11735 0.12534 0.13150 0.13432 0.13680 0.14145 0.14308 0.15171 0.15680 0.16181 0.16961 0.17693 0.17946 0.18040 0.18136 0.18591 0.19920 0.20135 0.20462 0.21038 0.21601 0.21802 0.22324 0.22525 0.22620 0.23317 0.23488 0.24687 0.25396 0.25731 0.26095 0.26206 0.26771 0.27086 0.27724 0.27946 0.28276 0.28615 0.28984 0.29310 0.29778 0.29997 0.30501 0.30754 0.31006 0.31253 0.31904 0.32285 0.32628 0.33050 0.33333 0.33592 0.33741 0.34447 0.35149 0.35761 0.35951 0.36220 0.36481 0.37185 0.38045 0.38512 0.38713 0.39448 0.39778 0.39838 0.40035 0.40503 0.40841 0.41101 0.41379 0.41957 0.42481 0.42642 0.43181 0.43499 0.43826 0.44432 0.44852 0.44932 0.45544 0.45918 0.46352 0.46652 0.47289 0.47706 0.47830 0.48047 0.48611 0.48839 0.49083 0.49386 0.49720 0.50203 0.50515 0.50771 0.51218 0.51613 0.51858 0.52736 0.53001 0.53023 0.53292 0.53915 0.54173 0.54509 0.54968 0.55188 0.55386 0.55888 0.55989 0.56516 0.57280 0.57358 0.57897 0.58355 0.58748 0.59308 0.59622 0.60309 0.60798 0.61243 0.61688 0.62135 0.62584 0.62706 0.64309 0.64659 0.64996 0.65750 0.66852 0.67013 0.67527 0.68541 0.69064 0.69418 0.70204 0.70404 0.71089 0.71121 0.71595 0.72252 0.72663 0.73384 0.73603 0.73840 0.73932 0.74298 0.74710 0.75045 0.75306 0.75640 0.76150 0.76760 0.77102 0.77605 0.78074 0.78306 0.78445 0.78994 0.79484 0.80359 0.80663 0.80901 0.81308 0.81500 0.81939 0.82315 0.83097 0.83482 0.83860 0.84075 0.84659 0.84842 0.85367 0.85514 0.86063 0.86680 0.86992 0.87596 0.88508 0.89071 0.89544 0.90406 0.91144 0.91681 0.91921 0.92250 0.92887 0.93204 0.94290 0.94570 0.95022 0.95292 0.95472 0.95823 0.96291 0.96766 0.97380 0.97756 0.98714 0.98991 0.99436 1.00366 1.00494 1.00681 1.01416 1.02156 1.02541 1.03360 1.04179 1.04917 1.04975 1.05523 1.05956 1.06782 1.07055 1.07322 1.08085 1.08723 1.09886 1.10149 1.10446 1.11060 1.11582 1.12030 1.12632 1.12660 1.13228 1.13819 1.14592 1.15509 1.15631 1.16089 1.16293 1.17417 1.17699 1.18447 1.19229 1.19805 1.20191 1.20894 1.21560 1.22136 1.22973 1.23398 1.23617 1.24120 1.24290 1.24754 1.24878 1.25288 1.26248 1.26607 1.27238 1.27803 1.28551 1.28998 1.29309 1.30205 1.30461 1.31155 1.32595 1.33221 1.33674 1.34049 1.34660 1.35245 1.35862 1.36229 1.36627 1.36894 1.37731 1.37941 1.38401 1.39229 1.39689 1.40015 1.40308 1.40670 1.40772 1.41436 1.42090 1.42618 1.43069 1.43564 1.43943 1.44604 1.44841 1.45269 1.45401 1.45741 1.46242 1.46463 1.47140 1.47564 1.48151 1.48779 1.49980 1.50150 1.51028 1.51528 1.52098 1.52537 1.53332 1.53697 1.54172 1.54311 1.54746 1.55145 1.56215 1.56400 1.56898 1.57391 1.58380 1.58572 1.59173 1.59874 1.60363 1.60670 1.61316 1.62036 1.63042 1.63451 1.64183 1.65002 1.65145 1.65350 1.65971 1.66800 1.67063 1.68140 1.68408 1.68955 1.69334 1.70281 1.71110 1.71974 1.72516 1.72901 1.73576 1.74337 1.74587 1.75589 1.75652 1.76105 1.76803 1.77020 1.78198 1.78962 1.79769 1.80281 1.80753 1.81829 1.82078 1.82263 1.83206 1.84116 1.84485 1.84969 1.85640 1.86828 1.87997 1.88426 1.88750 1.89569 1.90510 1.91036 1.91756 1.92025 1.92559 1.93755 1.93935 1.94414 1.94787 1.95458 1.96818 1.97662 1.98183 1.98581 1.99777 1.99908 2.01200 2.01651 2.01870 2.02716 2.04255 2.05016 2.05542 2.05966 2.07150 2.08614 2.09253 2.09459 2.10187 2.11254 2.11489 2.12125 2.12910 2.14141 2.15538 2.16367 2.17177 2.18174 2.19054 2.20103 2.21580 2.22105 2.23380 2.24087 2.25003 2.25777 2.26604 2.28093 2.28893 2.29939 2.30412 2.31137 2.31691 2.33097 2.34383 2.35621 2.36709 2.38267 2.38631 2.39470 2.40125 2.40685 2.40916 2.41405 2.42340 2.42372 2.42934 2.43170 2.43833 2.44281 2.44629 2.45813 2.47080 2.47727 2.48828 2.49528 2.50042 2.52650 2.53343 2.54130 2.55862 2.56417 2.57770 2.57945 2.58813 2.59532 2.60871 2.62113 2.63023 2.63459 2.64799 2.66227 2.67522 2.68236 2.68644 2.69056 2.69983 2.71079 2.72725 2.73678 2.74564 2.75510 2.76580 2.77507 2.77873 2.78392 2.78750 2.79058 2.79365 2.80080 2.80488 2.80975 2.81363 2.81809 2.82110 2.83934 2.84285 2.85190 2.85424 2.86204 2.87086 2.87424 2.87725 2.88560 2.88665 2.89357 2.90180 2.91746 2.92368 2.92735 2.93531 2.94212 2.94577 2.96179 2.96445 2.97254 2.98569 2.98689 2.99330 2.99822 3.00931 3.01145 3.02126 3.03001 3.03426 3.04427 3.05329 3.05433 3.05883 3.06812 3.07019 3.07775 3.08239 3.08294 3.08656 3.09320 3.10130 3.10616 3.10944 3.11251 3.11590 3.12276 3.12368 3.13267 3.13342 3.14026 3.14419 3.14550 3.15017 3.15682 3.15916 3.16311 3.16516 3.16885 3.17296 3.17589 3.18673 3.19338 3.19497 3.19703 3.19883 3.20104 3.20568 3.20915 3.21507 3.22003 3.22204 3.22468 3.22782 3.22992 3.24265 3.24459 3.24574 3.25644 3.26229 3.26856 3.27666 3.27870 3.28113 3.28751 3.29060 3.29910 3.30272 3.30589 3.31131 3.31666 3.31752 3.32451 3.32470 3.33134 3.33246 3.33708 3.34367 3.35070 3.35602 3.36714 3.37558 3.38038 3.38116 3.38891 3.40352 3.40846 3.41032 3.41378 3.41968 3.42268 3.42857 3.43392 3.43546 3.44240 3.44527 3.44825 3.45411 3.46091 3.46248 3.47071 3.47309 3.47663 3.48573 3.48926 3.49336 3.49910 3.50513 3.51038 3.51661 3.51988 3.52302 3.53113 3.53540 3.53618 3.54038 3.55311 3.56204 3.56450 3.56739 3.57264 3.57979 3.58149 3.58995 3.59340 3.59696 3.60160 3.60525 3.60921 3.61437 3.62077 3.62465 3.62896 3.63291 3.63698 3.64402 3.65194 3.65524 3.66743 3.66891 3.67850 3.68282 3.68697 3.69840 3.70201 3.70394 3.71729 3.72604 3.72878 3.73500 3.74456 3.74785 3.75752 3.76465 3.76593 3.77727 3.78432 3.79203 3.79658 3.80453 3.81456 3.82425 3.83527 3.84002 3.84303 3.85272 3.85425 3.85550 3.85992 3.86326 3.86795 3.87486 3.87785 3.88818 3.89232 3.90314 3.91050 3.91367 3.91671 3.92123 3.93181 3.93556 3.94397 3.94588 3.95135 3.95568 3.96517 3.97034 3.97150 3.97302 3.97675 3.98679 3.99611 4.00037 4.00825 4.01605 4.02017 4.02411 4.03649 4.04233 4.04372 4.04869 4.05324 4.06443 4.06933 4.07883 4.08247 4.10193 4.12354 4.12580 4.12961 4.14087 4.14412 4.15401 4.15658 4.17634 4.18082 4.19800 4.20339 4.20839 4.21531 4.22119 4.22584 4.23220 4.24074 4.24583 4.25210 4.26042 4.27062 4.27525 4.28824 4.29160 4.29496 4.30000 4.31089 4.31449 4.32273 4.33042 4.34094 4.34307 4.35696 4.35929 4.37524 4.38159 4.38369 4.38514 4.39207 4.39569 4.40498 4.40698 4.40893 4.41077 4.41515 4.42137 4.42721 4.43327 4.44207 4.45094 4.45251 4.45977 4.46567 4.46955 4.48091 4.48215 4.49956 4.51128 4.52347 4.53174 4.55067 4.56133 4.56190 4.56991 4.57646 4.58351 4.59382 4.59531 4.60761 4.62709 4.62788 4.63949 4.64982 4.66029 4.66644 4.67945 4.68105 4.70582 4.72318 4.73206 4.73929 4.75241 4.75516 4.76784 4.78118 4.79508 4.80750 4.81050 4.81554 4.82482 4.82732 4.83816 4.84533 4.85721 4.86314 4.86440 4.86894 4.87536 4.88697 4.89895 4.90211 4.91396 4.91875 4.92906 4.93798 4.94685 4.96060 4.98733 5.00300 5.00368 5.01621 5.01790 5.02708 5.03489 5.05718 5.06236 5.06771 5.07424 5.10278 5.10548 5.10865 5.11595 5.13402 5.16009 5.17850 5.18416 5.19370 5.19550 5.20318 5.22750 5.24225 5.24586 5.25954 5.26535 5.26746 5.27331 5.27920 5.28842 5.32477 5.33298 5.34877 5.35188 5.35348 5.36811 5.38030 5.39008 5.39472 5.40298 5.40524 5.41918 5.41994 5.43429 5.43790 5.44222 5.44721 5.45311 5.46393 5.47223 5.47679 5.50226 5.50753 5.50990 5.54769 5.55148 5.57140 5.57736 5.59294 5.60535 5.64657 5.66244 5.68593 5.71518 5.71922 5.72952 5.73783 5.75562 5.76277 5.76821 5.77866 5.81130 5.81767 5.82473 5.83055 5.91261 5.92527 5.93546 5.93909 5.99639 5.99946 6.02553 6.03058 6.05733 6.07274 6.10254 6.11241 6.15108 6.18975 6.20567 6.24130 6.24864 6.28659 6.35675 6.51553 6.52826 6.53694 6.57407 6.64667 6.70797 6.81366 6.81537 6.95144 6.95468 7.02615 7.14782 7.24848 7.35373 16.05004 22.84245 23.01203 23.04113 23.05589 23.15500 23.17533 23.24621 23.26820 23.27504 23.30622 23.33155 23.34894 23.37144 23.41524 23.53172 23.65411 23.69700 23.74646 23.95240 24.05825 32.87145 32.90665 33.06109 33.07401 34.80655 34.86705 35.18651 43.00696 44.20899 119.74774 2-A. -2.5059 -4.8389 -0.7103 5.4953 -177.2297 -155.8159 -176.6401 -10.9137 13.2803 1.1804 -7.3345 14.0793 -6.7449 -10.9137 13.2803 1.1804 -181.6733 -54.9458 17.7463 -98.7993 -61.1676 7.7663 -63.3440 -0.9590 -12.8279 -15.4590 -6448.6532 -3347.3825 -2090.5486 -264.2399 164.8790 -139.4064 28.4297 -7.0582 30.8910 -1805.6410 -1419.3262 -953.1207 -29.3566 27.1123 3.7774 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-BERON211 GRUFOR 2024-09-26T00:00:00.000 0 coments 0 2 Version=ES64L-G16RevC.02 State=2-A HF=-1388.0960527 S2=0.778275 S2-1=0. S2A=0.750662 RMSD=8.569e-09 Dipole=0.7995146,-1.7199009,1.0378387 Quadrupole=9.9367019,1.3768628,-11.3135646,-1.7300862,10.7840636,3.5661439 PG=C01 [X(C20H15B1I1N4O1)] 0 0.7515880154 2.1732452861 -1.9000184612 0 0.4859503255 3.3115699062 -2.2675808478 0 1.3839220676 -0.563493511 -0.9850649473 0 -0.254789805 1.0829619857 -2.0176790714 0 2.073159829 1.8638074858 -1.2863903569 0 2.4084084498 0.5633507139 -0.8330554313 0 0.0179959814 -0.2415188237 -1.5953680982 0 2.9927447554 2.9041840852 -1.1092009806 0 4.2017680936 2.6374175146 -0.4864967062 0 4.4505778526 1.3254037928 -0.052960212 0 3.6020651881 0.3243952847 -0.2125586462 0 2.725600232 3.9033649837 -1.4608296671 0 4.9469180744 3.4182863914 -0.3262366269 0 5.3948873565 1.0910746872 0.4525007974 0 -2.140176245 -0.8925645426 -2.119137577 0 -2.4900600095 0.3934729842 -2.5622378075 0 -1.5285886295 1.3899331066 -2.5110034948 0 -0.9425972087 -1.2092793242 -1.6599395315 0 -1.7328478579 2.414030878 -2.8317483061 0 -2.8847554937 -1.6967791271 -2.1384399798 0 -3.497363717 0.5899274004 -2.9330059495 0 1.6404222932 -1.9373198444 -0.3444402985 0 1.3078916297 -3.9769431818 0.4905102456 0 2.5508358115 -3.563749836 0.8796693829 0 0.7757218574 -4.9004108575 0.694500226 0 3.3042712019 -4.0665674291 1.4774393674 0 2.7328393872 -2.309871649 0.3468920065 0 3.4957825255 -1.6217232974 0.4271899674 0 0.7763333832 -2.9642550831 -0.2685904145 0 -0.1500399961 -2.8383065451 -0.7041297754 0 -1.4008700752 0.4466789932 1.3382384884 0 -1.0291454729 -0.77704492 1.8921521855 0 0.2229326729 -0.9470786432 2.4834423941 0 1.1127578572 0.12576936 2.5106052736 0 0.7542660474 1.3541558192 1.9585751693 0 -0.5015676145 1.5119353766 1.3771400281 0 -2.3731270189 0.5694002123 0.8579632026 0 0.511116249 -1.9112113729 2.9071975473 0 2.1018267793 -0.0071176631 2.9537637601 0 1.4633419553 2.1842835406 1.9620694228 0 -0.7815679226 2.4657926549 0.9250650364 0 -2.3728788057 -2.4008207924 1.8223436863