Gaussian 16 GINC-BERON01 GRUFOR coments ES64L-G16RevC.02 26-Sep-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 44 44 96 97 457 (5D, 7F) def2SVP 126 126 C1[X(C18H19BIN4O)] C1[X(C18H19BIN4O)] UwB97XD def2SVP FTS #p wB97xD/Def2SVP opt=(ts,noeigentest,calcfc) freq SCF=(XQC) gfprint gfinput 425.9342699999999 0 2 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,11,18,27,29,2;32,36,40,31;44/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(16,17)(18,19);(1,2,3);/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;4.3;/rA:44nC3O1BC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHC3CHHHCHHHCHHHI0/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s23;s27;s22s24;s29;;s31;s32;s32;s32;s31;s36;s36;s36;s31;s40;s40;s40;;/rC:-2.426,-1.893,.0027;-2.8977,-3.017,.0048;-1.0559,.7376,-.0019;-2.153,-1.1862,-1.2865;-2.1547,-1.1808,1.2893;-1.5419,.0901,1.3276;-1.5403,.0845,-1.3292;-2.5334,-1.7907,2.4884;-2.3149,-1.1191,3.6826;-1.7354,.1535,3.6289;-1.3601,.7444,2.503;-2.9955,-2.7797,2.4518;-2.593,-1.5562,4.6429;-1.5719,.7176,4.5542;-1.7309,.1383,-3.631;-2.3102,-1.1345,-3.6802;-2.5301,-1.8011,-2.4834;-1.357,.734,-2.5071;-2.9922,-2.79,-2.4433;-1.5664,.6986,-4.5584;-2.587,-1.5757,-4.6389;-.7212,2.2553,-.0048;-.2306,4.3159,-.6915;-.2316,4.3188,.6739;-.0378,5.1168,-1.3978;-.04,5.1227,1.3771;-.5391,3.0343,-1.0812;-.665,2.5988,-2.0068;-.5407,3.0389,1.0685;-.6679,2.6071,1.9958;3.839,-1.0674,.0032;4.113,-1.3888,1.4523;5.1364,-1.8018,1.5457;4.0545,-.494,2.0887;3.4127,-2.1404,1.8442;3.7691,-2.2788,-.8946;3.068,-3.0335,-.5101;3.4666,-2.0134,-1.9179;4.7709,-2.7477,-.9506;4.6754,.0618,-.5478;4.3737,.3336,-1.5697;4.6174,.9603,.0836;5.736,-.2552,-.5838;1.4843,-.1669,.0015; /NFS_R1/Userdata/grufor/SOFTWARE/g16/g16 Output=18_TS_tBuI.log chk=18_TS_tBuI.chk Mem=12000MB NProc=12 #p wB97xD/Def2SVP opt=(ts,noeigentest,calcfc) freq SCF=(XQC) gfprint g 1/5=1,10=4,11=1,18=20,26=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=2,74=-58,140=1/1,2,3 4//1 5/5=2,8=3,13=1,38=5/2,8 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1,13=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7/10=1,25=1/1,2,3,16 1/5=1,10=4,11=1,18=20,26=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 1/5=1,11=1,18=20,26=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 43 44 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 1 1 1 12 1 1 1 12 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 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 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 1 1 1 0 1 1 1 0 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 -0.0000000 -0.0000000 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 1 1 1 3 3 3 3 4 4 5 5 6 7 8 8 9 9 10 10 15 15 15 16 16 17 22 22 23 23 23 24 24 27 29 31 31 31 31 32 32 32 36 36 36 40 40 40 2 4 5 6 7 22 44 7 17 6 8 11 18 9 12 10 13 11 14 16 18 20 17 21 19 27 29 24 25 27 26 29 28 30 32 36 40 44 33 34 35 37 38 39 41 42 43 1.2189 1.4954 1.4954 1.5566 1.5566 1.5542 2.6964 1.4114 1.3975 1.4114 1.3975 1.3575 1.3575 1.3875 1.0923 1.3993 1.0911 1.3258 1.0959 1.3993 1.3258 1.0959 1.3874 1.0911 1.0923 1.3411 1.3411 1.3654 1.0851 1.3745 1.0851 1.3745 1.0307 1.0307 1.5094 1.5094 1.5095 2.521 1.1075 1.0996 1.0995 1.0995 1.0996 1.1075 1.0996 1.0997 1.1075 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 2 2 4 6 6 6 7 7 22 1 1 7 1 1 6 3 3 5 3 3 4 5 5 9 8 8 10 9 9 11 6 16 16 18 15 15 17 4 4 16 7 3 3 27 24 24 25 23 23 26 22 22 23 22 22 24 32 32 32 36 36 40 31 31 31 33 33 34 31 31 31 37 37 38 31 31 31 41 41 42 1 1 1 3 3 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 15 15 15 16 16 16 17 17 17 18 22 22 22 23 23 23 24 24 24 27 27 27 29 29 29 31 31 31 31 31 31 32 32 32 32 32 32 36 36 36 36 36 36 40 40 40 40 40 40 4 5 5 7 22 44 22 44 44 7 17 17 6 8 8 5 11 11 4 18 18 9 12 12 10 13 13 11 14 14 10 18 20 20 17 21 21 16 19 19 15 27 29 29 25 27 27 26 29 29 23 28 28 24 30 30 36 40 44 40 44 44 33 34 35 34 35 35 37 38 39 38 39 39 41 42 43 42 43 43 120.5275 120.5267 118.9131 117.1657 118.3668 98.8299 118.368 98.8265 97.166 122.0686 118.7599 119.1683 122.0679 118.7612 119.1677 119.1463 119.8119 121.0384 119.1459 119.8124 121.0383 118.9865 118.7568 122.2562 118.1887 121.5641 120.2439 123.7221 119.835 116.4429 118.8525 123.7229 119.8346 116.4424 118.1883 120.2446 121.5638 118.9862 118.7573 122.2561 118.8518 126.7274 126.7269 106.5405 130.4989 106.5753 122.9258 130.4988 106.5747 122.9264 110.1537 117.3035 132.5313 110.1534 117.3005 132.5347 114.1168 114.1489 104.2562 114.1377 104.0646 104.4849 109.1539 111.8839 111.8413 107.6831 107.6769 108.4304 111.8603 111.8753 109.1452 108.4051 107.6855 107.6986 111.8423 111.8656 109.17 108.4881 107.6566 107.6449 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A81 A82 3 3 44 44 31 31 21 21 -1 -2 179.2965 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 181.3244 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 44 44 6 6 22 22 44 44 6 6 7 7 44 44 6 6 6 7 7 7 22 22 22 1 1 17 17 1 1 7 7 1 1 8 8 1 1 6 6 3 5 3 4 5 5 12 12 8 8 13 13 9 14 18 18 20 20 16 20 15 15 21 21 3 3 29 29 3 3 27 27 25 25 27 27 24 24 25 25 23 23 26 26 36 36 36 40 40 40 44 44 44 32 32 32 40 40 40 44 44 44 32 32 32 36 36 36 44 44 44 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 23 23 23 23 23 23 23 23 24 24 24 24 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 4 4 4 4 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 22 22 22 22 22 22 31 31 31 31 31 31 31 31 31 7 7 7 7 17 17 17 17 6 6 6 6 8 8 8 8 11 11 18 18 9 9 9 9 10 10 10 10 11 11 16 16 16 16 18 18 17 17 17 17 27 27 27 27 29 29 29 29 24 24 24 24 27 27 27 27 29 29 29 29 32 32 32 32 32 32 32 32 32 36 36 36 36 36 36 36 36 36 40 40 40 40 40 40 40 40 40 7 17 7 17 6 8 6 8 5 11 5 11 5 11 4 18 4 18 4 18 27 29 27 29 27 29 32 36 40 32 36 40 32 36 40 3 18 3 18 16 19 16 19 3 11 3 11 9 12 9 12 10 10 15 15 10 13 10 13 11 14 11 14 6 6 17 21 17 21 7 7 4 19 4 19 23 28 23 28 24 30 24 30 26 29 26 29 22 28 22 28 22 30 22 30 33 34 35 33 34 35 33 34 35 37 38 39 37 38 39 37 38 39 41 42 43 41 42 43 41 42 43 -176.4583 4.1866 5.6082 -173.7468 176.4548 -4.1887 -5.6117 173.7448 12.5922 -168.0689 164.722 -15.9391 -92.1372 87.2017 -12.5955 168.0653 -164.7249 15.9358 92.136 -87.2033 -166.3764 14.5676 -14.5838 166.3602 89.5181 -89.538 -22.1399 97.473 -142.4917 -141.4235 -21.8107 98.2246 98.2219 -142.1652 -22.1299 3.6833 -176.9857 -176.9641 2.3668 178.3622 -1.3936 -1.012 179.2323 -3.6768 176.9926 176.9692 -2.3613 -178.3701 1.3866 1.0054 -179.2379 -177.4733 1.8529 177.4739 -1.8526 0.7306 -179.928 -179.0172 0.3242 -1.2997 178.5987 179.3499 -0.7518 -0.0074 -179.9089 1.3034 -179.3458 -178.5957 0.7551 0.0025 179.9047 -0.7284 179.0184 179.9299 -0.3234 -178.7108 2.3707 0.4999 -178.4185 178.7128 -2.3625 -0.4979 178.4267 0.0021 179.9158 -179.9106 0.0031 -0.3139 178.3819 179.7652 -1.539 0.3087 -178.3944 -179.7695 1.5274 66.7502 -174.1694 -52.2961 -67.0162 52.0642 173.9375 179.6091 -61.3105 60.5628 52.2752 174.1233 -66.788 -173.9531 -52.105 66.9837 -60.698 61.1501 -179.7612 -174.0526 -52.1169 66.9152 52.1907 174.1264 -66.8415 -60.814 61.1218 -179.8461 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 0.10000e-02 0.10000e-05 F 483 A 457 A 800 483 2429.9363294057 44 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Berny optimization. saddle point Step number 7 out of a maximum of 261 All quantities printed in internal units (Hartrees-Bohrs-Radians) -0.04162 0.00001 0.00261 0.00347 0.00347 0.00642 0.00791 0.00802 0.01220 0.01223 0.01303 0.01307 0.01546 0.01557 0.01709 0.01768 0.01819 0.01978 0.02046 0.02073 0.02127 0.02274 0.02281 0.02571 0.02740 0.02803 0.02940 0.02980 0.02982 0.03159 0.03781 0.03964 0.03964 0.04095 0.04143 0.04277 0.04287 0.04355 0.04440 0.04563 0.04569 0.04586 0.04714 0.04828 0.05470 0.05765 0.09386 0.09641 0.09742 0.09901 0.10420 0.10686 0.10697 0.10993 0.11317 0.11559 0.11696 0.12025 0.12038 0.12142 0.12436 0.13072 0.13260 0.14070 0.14125 0.14129 0.14251 0.14705 0.16133 0.16138 0.18983 0.19089 0.20145 0.21002 0.21490 0.21688 0.22145 0.23063 0.23713 0.24214 0.24771 0.25533 0.26697 0.28050 0.29703 0.30531 0.30549 0.32465 0.32837 0.32844 0.32889 0.33878 0.34545 0.34706 0.34736 0.34746 0.34790 0.34794 0.34933 0.35382 0.35509 0.36230 0.36689 0.36760 0.36859 0.36936 0.38428 0.38565 0.38751 0.39998 0.40205 0.42991 0.44458 0.45129 0.46160 0.46242 0.46873 0.47733 0.48470 0.50309 0.51634 0.51755 0.57416 0.57559 0.59650 0.85248 6.989166190e-13 0.00000000e+00 Linear search 1 2 3 0.00431005 0.00001082 0.00000000 0.00000613 0.00000001 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 A80 A81 A82 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 2.30125 2.82783 2.82783 2.95636 2.95636 2.94880 4.96895 2.66454 2.64028 2.66455 2.64028 2.56169 2.56169 2.62249 2.06409 2.64225 2.06182 2.50747 2.07086 2.64225 2.50748 2.07086 2.62249 2.06182 2.06409 2.53207 2.53207 2.57994 2.05061 2.59798 2.05060 2.59798 1.94826 1.94825 2.84819 2.84803 2.84816 4.84951 2.09404 2.07872 2.07848 2.07841 2.07841 2.09395 2.07847 2.07869 2.09404 2.10344 2.10344 2.07549 2.03256 2.05033 1.75272 2.05033 1.75267 1.72289 2.13015 2.07207 2.08087 2.13016 2.07207 2.08087 2.08081 2.09021 2.11208 2.08081 2.09021 2.11208 2.07623 2.07330 2.13364 2.06221 2.12173 2.09917 2.15877 2.09235 2.03206 2.07521 2.15877 2.09235 2.03206 2.06221 2.09917 2.12173 2.07623 2.07330 2.13364 2.07521 2.21149 2.21150 1.86008 2.27819 1.85957 2.14542 2.27820 1.85957 2.14542 1.92275 2.04715 2.31294 1.92275 2.04716 2.31292 2.00085 2.00124 1.81064 2.00084 1.80378 1.81018 1.90988 1.95244 1.95181 1.87725 1.87754 1.89196 1.95244 1.95243 1.90947 1.89073 1.87792 1.87789 1.95181 1.95245 1.90986 1.89185 1.87757 1.87733 3.12810 3.16834 -3.06827 0.08766 0.11655 -3.01071 3.06826 -0.08768 -0.11655 3.01069 0.25847 -2.89733 2.82589 -0.32991 -1.61384 1.51355 -0.25848 2.89735 -2.82590 0.32993 1.61386 -1.51349 -2.86071 0.29923 -0.29918 2.86077 1.56162 -1.56162 -1.11064 0.98024 3.07028 3.08862 -1.10368 0.98635 0.98903 3.07991 -1.11324 0.07590 -3.08011 -3.08010 0.04707 3.10756 -0.02888 -0.02011 3.12663 -0.07590 3.08009 3.08012 -0.04708 -3.10752 0.02891 0.02014 -3.12662 -3.09032 0.03680 3.09027 -0.03682 0.01454 -3.14042 -3.12171 0.00652 -0.02601 3.11355 3.12877 -0.01485 0.00004 -3.13959 0.02600 -3.12878 -3.11356 0.01484 -0.00002 3.13961 -0.01455 3.12170 3.14040 -0.00653 -3.11698 0.04961 0.00926 -3.10733 3.11698 -0.04963 -0.00926 3.10731 -0.00001 3.14033 -3.14034 -0.00000 -0.00577 3.10568 3.13696 -0.03478 0.00578 -3.10565 -3.13695 0.03481 1.18197 -3.02263 -0.89657 -1.18591 0.89267 3.01874 3.13573 -1.06888 1.05719 0.89508 3.02002 -1.18406 -3.02004 -0.89510 1.18400 -1.06275 1.06219 3.14129 -3.01893 -0.89299 1.18568 0.89637 3.02231 -1.18220 -1.05712 1.06883 -3.13569 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00002 0.00002 0.00000 -0.00000 0.00000 -0.00002 -0.00001 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 -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 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00005 -0.00000 -0.00004 -0.00001 0.00001 -0.00002 0.00001 -0.00001 0.00002 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00002 -0.00000 -0.00001 0.00001 0.00002 -0.00005 0.00000 0.00002 0.00004 -0.00004 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00009 -0.00008 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00002 -0.00000 -0.00002 -0.00000 0.00001 -0.00001 0.00000 0.00001 0.00002 0.00000 0.00001 0.00001 0.00002 0.00004 0.00005 0.00002 0.00004 0.00002 0.00003 -0.00004 -0.00002 -0.00591 -0.00583 -0.00582 -0.00593 -0.00585 -0.00584 -0.00590 -0.00583 -0.00581 0.00000 -0.00001 0.00001 0.00001 0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00002 0.00001 0.00002 0.00001 0.00000 -0.00000 -0.00002 -0.00001 -0.00002 -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 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00002 -0.00000 0.00000 -0.00001 -0.00001 -0.00002 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00002 0.00000 0.00002 -0.00000 0.00000 0.00000 0.00001 0.00002 0.00002 0.00001 0.00001 0.00001 0.00001 0.00008 0.00008 0.00007 -0.00004 -0.00002 -0.00003 -0.00007 -0.00005 -0.00006 -0.00008 -0.00006 -0.00007 0.00001 0.00001 0.00001 0.00000 0.00000 0.00001 -0.00003 -0.00003 -0.00003 -0.00000 -0.00002 0.00002 0.00000 -0.00000 0.00000 -0.00002 -0.00001 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 -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 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00005 -0.00000 -0.00004 -0.00001 0.00001 -0.00002 0.00001 -0.00001 0.00002 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00002 -0.00000 -0.00001 0.00001 0.00002 -0.00005 0.00000 0.00002 0.00004 -0.00004 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00009 -0.00008 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00002 -0.00000 -0.00002 -0.00000 0.00001 -0.00001 0.00000 0.00001 0.00002 0.00000 0.00001 0.00001 0.00002 0.00004 0.00005 0.00002 0.00004 0.00002 0.00003 -0.00004 -0.00002 -0.00591 -0.00583 -0.00582 -0.00593 -0.00585 -0.00584 -0.00590 -0.00583 -0.00581 0.00000 -0.00001 0.00001 0.00001 0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00002 0.00001 0.00002 0.00001 0.00000 -0.00000 -0.00002 -0.00001 -0.00002 -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 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00002 -0.00000 0.00000 -0.00001 -0.00001 -0.00002 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00002 0.00000 0.00002 -0.00000 0.00000 0.00000 0.00001 0.00002 0.00002 0.00001 0.00001 0.00001 0.00001 0.00008 0.00008 0.00007 -0.00004 -0.00002 -0.00003 -0.00007 -0.00005 -0.00006 -0.00008 -0.00006 -0.00007 0.00001 0.00001 0.00001 0.00000 0.00000 0.00001 -0.00003 -0.00003 -0.00003 2.30125 2.82782 2.82785 2.95636 2.95636 2.94880 4.96893 2.66454 2.64028 2.66455 2.64027 2.56169 2.56169 2.62249 2.06409 2.64224 2.06182 2.50748 2.07086 2.64225 2.50747 2.07086 2.62249 2.06182 2.06409 2.53207 2.53207 2.57994 2.05061 2.59797 2.05060 2.59799 1.94825 1.94826 2.84819 2.84803 2.84816 4.84952 2.09404 2.07872 2.07848 2.07841 2.07841 2.09395 2.07846 2.07869 2.09404 2.10344 2.10344 2.07549 2.03256 2.05033 1.75277 2.05032 1.75263 1.72288 2.13016 2.07206 2.08088 2.13015 2.07208 2.08087 2.08081 2.09020 2.11209 2.08081 2.09022 2.11207 2.07623 2.07330 2.13364 2.06221 2.12173 2.09917 2.15877 2.09235 2.03206 2.07520 2.15877 2.09235 2.03206 2.06220 2.09918 2.12173 2.07623 2.07331 2.13363 2.07521 2.21149 2.21150 1.86008 2.27819 1.85958 2.14541 2.27820 1.85956 2.14542 1.92275 2.04716 2.31292 1.92275 2.04714 2.31294 2.00087 2.00120 1.81064 2.00086 1.80382 1.81015 1.90988 1.95244 1.95181 1.87725 1.87754 1.89195 1.95245 1.95244 1.90947 1.89074 1.87791 1.87788 1.95181 1.95245 1.90986 1.89185 1.87757 1.87733 3.12819 3.16826 -3.06827 0.08765 0.11655 -3.01072 3.06826 -0.08770 -0.11655 3.01067 0.25847 -2.89732 2.82588 -0.32990 -1.61383 1.51357 -0.25848 2.89736 -2.82589 0.32995 1.61390 -1.51344 -2.86069 0.29927 -0.29916 2.86080 1.56158 -1.56164 -1.11655 0.97441 3.06446 3.08270 -1.10953 0.98052 0.98312 3.07408 -1.11905 0.07590 -3.08012 -3.08008 0.04708 3.10757 -0.02887 -0.02011 3.12663 -0.07589 3.08008 3.08014 -0.04708 -3.10750 0.02892 0.02014 -3.12662 -3.09034 0.03680 3.09026 -0.03683 0.01453 -3.14043 -3.12171 0.00652 -0.02601 3.11356 3.12877 -0.01485 0.00005 -3.13958 0.02600 -3.12878 -3.11356 0.01485 -0.00001 3.13961 -0.01456 3.12170 3.14040 -0.00653 -3.11697 0.04961 0.00926 -3.10735 3.11697 -0.04965 -0.00926 3.10731 -0.00002 3.14033 -3.14034 0.00000 -0.00578 3.10569 3.13696 -0.03475 0.00577 -3.10564 -3.13695 0.03482 1.18199 -3.02262 -0.89655 -1.18590 0.89268 3.01875 3.13581 -1.06880 1.05726 0.89504 3.02000 -1.18410 -3.02010 -0.89515 1.18394 -1.06283 1.06213 3.14122 -3.01892 -0.89298 1.18570 0.89637 3.02231 -1.18220 -1.05715 1.06879 -3.13571 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000002 0.000000 0.020181 0.004310 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.444576e-09 Optimization completed on the basis of negligible forces. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 1 1 1 3 3 3 3 4 4 5 5 6 7 8 8 9 9 10 10 15 15 15 16 16 17 22 22 23 23 23 24 24 27 29 31 31 31 31 32 32 32 36 36 36 40 40 40 2 4 5 6 7 22 44 7 17 6 8 11 18 9 12 10 13 11 14 16 18 20 17 21 19 27 29 24 25 27 26 29 28 30 32 36 40 44 33 34 35 37 38 39 41 42 43 1.2178 1.4964 1.4964 1.5644 1.5644 1.5604 2.6295 1.41 1.3972 1.41 1.3972 1.3556 1.3556 1.3878 1.0923 1.3982 1.0911 1.3269 1.0959 1.3982 1.3269 1.0958 1.3878 1.0911 1.0923 1.3399 1.3399 1.3652 1.0851 1.3748 1.0851 1.3748 1.031 1.031 1.5072 1.5071 1.5072 2.5663 1.1081 1.1 1.0999 1.0998 1.0998 1.1081 1.0999 1.1 1.1081 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 2 2 4 6 6 6 7 7 22 1 1 7 1 1 6 3 3 5 3 3 4 5 5 9 8 8 10 9 9 11 6 16 16 18 15 15 17 4 4 16 7 3 3 27 24 24 25 23 23 26 22 22 23 22 22 24 32 32 32 36 36 40 31 31 31 33 33 34 31 31 31 37 37 38 31 31 31 41 41 42 1 1 1 3 3 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 15 15 15 16 16 16 17 17 17 18 22 22 22 23 23 23 24 24 24 27 27 27 29 29 29 31 31 31 31 31 31 32 32 32 32 32 32 36 36 36 36 36 36 40 40 40 40 40 40 4 5 5 7 22 44 22 44 44 7 17 17 6 8 8 5 11 11 4 18 18 9 12 12 10 13 13 11 14 14 10 18 20 20 17 21 21 16 19 19 15 27 29 29 25 27 27 26 29 29 23 28 28 24 30 30 36 40 44 40 44 44 33 34 35 34 35 35 37 38 39 38 39 39 41 42 43 42 43 43 120.5181 120.5184 118.9166 116.4574 117.4754 100.4233 117.4751 100.4206 98.7142 122.0488 118.721 119.2252 122.049 118.7208 119.2252 119.2214 119.7602 121.0133 119.2215 119.7601 121.0133 118.9592 118.7915 122.2485 118.1558 121.5659 120.2738 123.6885 119.8828 116.4286 118.9006 123.6883 119.8829 116.4286 118.1558 120.2737 121.566 118.9593 118.7915 122.2485 118.9007 126.709 126.7095 106.575 130.5309 106.5456 122.9235 130.531 106.5456 122.9234 110.1655 117.2928 132.5215 110.1655 117.2934 132.5208 114.6403 114.6627 103.7418 114.6395 103.349 103.716 109.4281 111.8663 111.8303 107.5584 107.5749 108.4011 111.8665 111.8659 109.4047 108.331 107.5969 107.5951 111.8307 111.8671 109.4271 108.3948 107.5766 107.563 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A81 3 44 31 21 -1 179.227 -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 44 44 6 6 22 22 44 44 6 6 7 7 44 44 6 6 6 7 7 7 22 22 22 1 1 17 17 1 1 7 7 1 1 8 8 1 1 6 6 3 5 3 4 5 5 12 12 8 8 13 13 9 14 18 18 20 20 16 20 15 15 21 21 3 3 29 29 3 3 27 27 25 25 27 27 24 24 25 25 23 23 26 26 36 36 36 40 40 40 44 44 44 32 32 32 40 40 40 44 44 44 32 32 32 36 36 36 44 44 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 23 23 23 23 23 23 23 23 24 24 24 24 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 4 4 4 4 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 22 22 22 22 22 22 31 31 31 31 31 31 31 31 31 7 7 7 7 17 17 17 17 6 6 6 6 8 8 8 8 11 11 18 18 9 9 9 9 10 10 10 10 11 11 16 16 16 16 18 18 17 17 17 17 27 27 27 27 29 29 29 29 24 24 24 24 27 27 27 27 29 29 29 29 32 32 32 32 32 32 32 32 32 36 36 36 36 36 36 36 36 36 40 40 40 40 40 40 40 40 7 17 7 17 6 8 6 8 5 11 5 11 5 11 4 18 4 18 4 18 27 29 27 29 27 29 32 36 40 32 36 40 32 36 40 3 18 3 18 16 19 16 19 3 11 3 11 9 12 9 12 10 10 15 15 10 13 10 13 11 14 11 14 6 6 17 21 17 21 7 7 4 19 4 19 23 28 23 28 24 30 24 30 26 29 26 29 22 28 22 28 22 30 22 30 33 34 35 33 34 35 33 34 35 37 38 39 37 38 39 37 38 39 41 42 43 41 42 43 41 42 -175.7987 5.0227 6.6778 -172.5008 175.7985 -5.0238 -6.678 172.4997 14.8094 -166.0046 161.9117 -18.9023 -92.4661 86.7199 -14.8096 166.0062 -161.9121 18.9038 92.4675 -86.7167 -163.9068 17.1448 -17.1416 163.9099 89.4741 -89.4743 -63.6351 56.1636 175.9139 176.965 -63.2363 56.514 56.667 176.4657 -63.784 4.3489 -176.4775 -176.4765 2.6971 178.05 -1.6549 -1.1523 179.1429 -4.3485 176.476 176.4778 -2.6977 -178.0477 1.6566 1.1537 -179.142 -177.0624 2.1087 177.0596 -2.1096 0.8329 -179.9328 -178.8607 0.3736 -1.4902 178.3935 179.2652 -0.851 0.0024 -179.885 1.4896 -179.2658 -178.394 0.8505 -0.0009 179.8864 -0.8338 178.8604 179.9319 -0.3739 -178.5898 2.8424 0.5306 -178.0371 178.5898 -2.8438 -0.5307 178.0358 -0.0004 179.9277 -179.9282 -0.0001 -0.3308 177.9421 179.7346 -1.9925 0.331 -177.9404 -179.7341 1.9944 67.7222 -173.1842 -51.3695 -67.9475 51.1461 172.9609 179.6641 -61.2423 60.5725 51.2846 173.0344 -67.8419 -173.0354 -51.2856 67.8381 -60.8909 60.8589 179.9826 -172.972 -51.1645 67.9347 51.358 173.1655 -67.7353 -60.5683 61.2392 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 Grimme-D2 -0.0351308734 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 425.9342699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,11,18,27,29,2;32,36,40,31;44/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(16,17)(18,19);(1,2,3);/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;4.3;/rA:44nC3O1BC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHC3CHHHCHHHCHHHI0/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s23;s27;s22s24;s29;;s31;s32;s32;s32;s31;s36;s36;s36;s31;s40;s40;s40;;/rC:-2.426,-1.893,.0028;-2.8977,-3.017,.0048;-1.0559,.7376,-.0019;-2.153,-1.1862,-1.2865;-2.1547,-1.1808,1.2894;-1.5419,.0901,1.3276;-1.5403,.0845,-1.3292;-2.5334,-1.7907,2.4884;-2.3149,-1.1191,3.6826;-1.7354,.1535,3.6289;-1.3601,.7444,2.503;-2.9955,-2.7797,2.4518;-2.593,-1.5562,4.6429;-1.5719,.7176,4.5542;-1.7309,.1383,-3.631;-2.3102,-1.1345,-3.6802;-2.5301,-1.8011,-2.4834;-1.357,.734,-2.5071;-2.9922,-2.79,-2.4433;-1.5664,.6986,-4.5584;-2.587,-1.5757,-4.6389;-.7212,2.2553,-.0048;-.2305,4.3159,-.6915;-.2316,4.3188,.6739;-.0378,5.1168,-1.3978;-.04,5.1227,1.3771;-.5391,3.0343,-1.0811;-.665,2.5988,-2.0068;-.5407,3.0389,1.0685;-.6679,2.6071,1.9958;3.839,-1.0674,.0032;4.113,-1.3888,1.4523;5.1364,-1.8018,1.5457;4.0546,-.494,2.0887;3.4127,-2.1404,1.8442;3.7691,-2.2788,-.8946;3.068,-3.0335,-.5101;3.4666,-2.0134,-1.9179;4.7709,-2.7477,-.9506;4.6754,.0618,-.5478;4.3737,.3336,-1.5697;4.6174,.9603,.0836;5.736,-.2552,-.5838;1.4843,-.1669,.0015; 0.000000 1.218929 0.000000 2.966083 4.182053 0.000000 1.495396 2.360884 2.560250 0.000000 1.495405 2.360882 2.560262 2.575810 0.000000 2.543499 3.638904 1.556578 2.972419 1.411388 0.000000 2.543494 3.638905 1.556575 1.411382 2.972423 2.656748 0.000000 2.490040 2.793693 3.844019 3.841792 1.397493 2.422308 4.367648 0.000000 3.762030 4.179495 4.313691 4.972174 2.399430 2.757872 5.212199 1.387453 0.000000 4.220689 4.953479 3.739748 5.111756 2.725740 2.310367 4.962439 2.391067 1.399283 0.000000 3.787276 4.770045 2.523266 4.326171 2.410541 1.357524 3.892742 2.793454 2.403281 1.325841 0.000000 2.666167 2.460448 4.706827 4.150155 2.148202 3.407685 4.961603 1.092274 2.176173 3.402450 3.885409 0.000000 4.655311 4.872192 5.403508 5.957120 3.402805 3.847886 6.282169 2.168028 1.091091 2.164824 3.375202 2.541552 0.000000 5.316060 6.033391 4.585235 6.170515 3.821350 3.287233 5.917431 3.388712 2.164479 1.095946 2.062292 4.321743 2.494127 0.000000 4.220658 4.953454 3.739745 2.725720 5.111737 4.962426 2.310359 6.466223 7.443909 7.259987 6.175034 6.864046 8.489523 8.207247 0.000000 3.762003 4.179472 4.313689 2.399423 4.972162 5.212196 2.757874 6.207351 7.362813 7.443927 6.531785 6.385737 8.338500 8.472305 1.399282 0.000000 2.490017 2.793672 3.844012 1.397494 3.841785 4.367646 2.422311 4.971776 6.207362 6.466249 5.719487 5.052782 7.130738 7.535892 2.391058 1.387449 0.000000 3.787266 4.770042 2.523269 2.410534 4.326169 3.892740 1.357524 5.719478 6.531779 6.175041 5.010096 6.294562 7.608853 7.064586 1.325842 2.403291 2.793461 0.000000 2.666144 2.460422 4.706815 2.148206 4.150148 4.961602 3.407686 5.052790 6.385759 6.864080 6.294575 4.895149 7.203847 7.955222 3.402441 2.176167 1.092272 3.885414 0.000000 5.316030 6.033367 4.585238 3.821333 6.170495 5.917419 3.287228 7.535861 8.472281 8.207243 7.064579 7.955181 9.529019 9.112656 1.095949 2.164478 3.388706 2.062291 4.321734 0.000000 4.655281 4.872161 5.403506 3.402798 5.957105 6.282164 3.847888 7.130723 8.338499 8.489542 7.608860 7.203819 9.281791 9.529046 2.164830 1.091091 2.168022 3.375214 2.541541 2.494134 0.000000 4.485014 5.703917 1.554169 3.941666 3.941659 2.671546 2.671560 5.086249 5.246294 4.318630 2.996675 6.046389 6.295418 4.885985 4.318658 5.246328 5.086276 2.996699 6.046414 4.886015 6.295456 0.000000 6.622121 7.833862 3.736375 5.858540 6.151368 4.863500 4.475073 7.259765 7.281203 6.185168 4.922980 8.238456 8.277545 6.501078 5.323913 6.554656 6.776162 4.170759 7.822348 5.460967 7.472983 2.226668 0.000000 6.622095 7.833832 3.736384 6.151367 5.858492 4.475031 4.863517 6.776069 6.554545 5.323815 4.170692 7.822249 7.472855 5.460863 6.185216 7.281251 7.259794 4.923021 8.238483 6.501134 8.277604 2.226679 1.365440 0.000000 7.536802 8.735306 4.707701 6.649419 7.166731 5.912547 5.252269 8.309244 8.359553 7.265310 6.006855 9.269434 9.356700 7.558615 5.713142 7.032237 7.432926 4.709604 8.505297 5.643322 7.860887 3.255081 1.085141 2.228560 0.000000 7.536756 8.735250 4.707718 7.166714 6.649350 5.252220 5.912556 7.432801 7.032093 5.713019 4.709529 8.505161 7.860717 5.643191 7.265344 8.359582 8.309253 6.006887 9.269438 7.558659 9.356738 3.255098 2.228561 1.085143 2.774893 0.000000 5.386495 6.584909 2.589740 4.523250 5.098702 3.933986 3.124947 6.324494 6.564891 5.649378 4.331711 7.233165 7.619443 6.179891 4.038495 5.222154 5.414064 2.827366 6.465009 4.313059 6.172851 1.341080 1.374532 2.196496 2.165260 3.263968 0.000000 5.226451 6.369333 2.763380 4.130263 5.231521 4.263847 2.747126 6.554721 6.993846 6.235910 4.925413 7.364663 8.074578 6.885322 3.135023 4.409564 4.802593 2.051019 5.886048 3.306673 5.296086 2.031982 2.206153 3.214404 2.665505 4.267512 1.030708 0.000000 5.386442 6.584849 2.589744 5.098669 4.523178 3.124884 3.933979 5.413953 5.222031 4.038384 2.827280 6.464895 6.172715 4.312951 5.649390 6.564898 6.324482 4.331727 7.233147 6.179913 7.619455 1.341091 2.196493 1.374539 3.263964 2.165275 2.149666 3.109106 0.000000 5.226302 6.369172 2.763333 5.231402 4.130093 2.746976 4.263772 4.802381 4.409346 3.134824 2.050843 5.885832 5.295862 3.306502 6.235856 6.993770 6.554617 4.925374 7.364545 6.885288 8.074505 2.031973 3.214427 2.206202 4.267540 2.665580 3.109104 4.002555 1.030724 0.000000 6.319174 7.013153 5.217127 6.130332 6.131159 5.661107 5.660255 6.877936 7.170156 6.760967 6.046719 7.459114 7.945802 7.292179 6.759085 7.168240 6.876487 6.045283 7.457691 7.290073 7.943603 5.642402 6.784075 6.784623 7.432162 7.433202 6.096536 6.145447 6.097429 6.146956 0.000000 6.716748 7.341474 5.775333 6.841405 6.273279 5.846481 6.470481 6.738650 6.809201 6.428118 5.967436 7.312000 7.428209 6.810083 7.894573 8.225842 7.732423 7.078489 8.223317 8.528893 9.056958 6.226826 7.483712 7.215155 8.226507 7.723573 6.901067 7.120060 6.434996 6.254630 1.509421 0.000000 7.718793 8.270381 6.869402 7.844461 7.321996 6.944582 7.510073 7.727513 7.781689 7.442118 7.043079 8.240535 8.330462 7.771749 8.816062 9.121773 8.660751 8.063528 9.108392 9.404246 9.897076 7.292226 8.440071 8.187607 9.127052 8.647107 7.905660 8.101900 7.475931 7.302832 2.145213 1.107516 0.000000 6.950297 7.683939 5.657245 7.099624 6.298043 5.678136 6.581702 6.726197 6.595529 6.026207 5.569934 7.420251 7.200117 6.261266 8.160107 8.613958 8.122204 7.205212 8.687205 8.786466 9.515348 5.894909 7.016142 6.598140 7.770700 6.987065 6.602915 6.972232 5.885441 5.650417 2.173683 1.099646 1.782043 0.000000 6.127184 6.631211 5.626678 6.456612 5.676633 5.458046 6.289048 5.991050 6.101488 5.911881 5.615726 6.468627 6.651468 6.352860 7.850287 8.017541 7.359269 7.067255 7.734736 8.593272 8.851290 6.311179 7.834956 7.508116 8.665080 8.055608 7.138071 7.342812 6.561732 6.262081 2.173076 1.099542 1.781889 1.784023 0.000000 6.271643 6.767619 5.759897 6.034746 6.408302 6.225471 5.827789 7.169643 7.701361 7.528478 6.855109 7.563725 8.465333 8.197205 6.601534 6.784240 6.513947 6.160686 6.955158 7.124280 7.410397 6.443064 7.715411 7.873606 8.333075 8.628570 6.842816 6.684907 7.120797 7.205096 1.509395 2.533465 2.837671 3.488199 2.765340 0.000000 5.634562 5.987979 5.611300 5.592340 5.826413 5.863900 5.623995 6.473856 7.086573 7.096559 6.554383 6.753087 7.796287 7.826014 6.544520 6.525393 6.062286 6.145199 6.365734 7.196920 7.152070 6.525778 8.057711 8.145271 8.767088 8.930027 7.082087 6.920821 7.238005 7.214784 2.173289 2.765489 3.165697 3.765138 2.541391 1.099541 0.000000 6.198868 6.723726 5.629570 5.715083 6.525185 6.327919 5.460395 7.447414 8.098827 7.907166 7.102595 7.838409 8.942643 8.644802 5.880324 6.103151 6.026952 5.582317 6.526423 6.297419 6.651395 6.278503 7.431819 7.777552 7.961819 8.606810 6.498046 6.192665 7.106495 7.332109 2.173506 3.488045 3.850964 4.325238 3.764606 1.099584 1.783688 0.000000 7.309885 7.732586 6.855565 7.105667 7.445509 7.286576 6.927824 8.129827 8.621316 8.468795 7.855652 8.479073 9.323774 9.085249 7.601746 7.758455 7.519882 7.217740 7.905332 8.065580 8.313559 7.489184 8.658792 8.809007 9.228925 9.513460 7.851366 7.697265 8.110109 8.181400 2.145061 2.837833 2.694440 3.850973 3.166093 1.107492 1.781967 1.782150 0.000000 7.386164 8.193757 5.796836 6.980734 7.181213 6.494121 6.264670 8.038461 8.255648 7.651971 6.797170 8.712969 9.076949 8.092578 7.110119 7.748663 7.690021 6.378220 8.397509 7.446544 8.494824 5.850703 6.495107 6.610128 6.963476 7.180092 6.025911 6.089721 6.219635 6.442049 1.509455 2.533976 2.840439 2.765086 3.487972 2.533794 3.488005 2.764971 2.839815 0.000000 7.325761 8.159623 5.665872 6.707283 7.286107 6.591525 5.924086 8.287820 8.627541 8.023694 7.045035 8.953820 9.523765 8.543999 6.446210 7.161249 7.283803 5.820694 8.048361 6.659590 7.843276 5.665732 6.150517 6.490356 6.509218 7.148458 5.627439 5.541672 6.199225 6.580243 2.173200 3.488154 3.853209 3.764431 4.324222 2.765092 3.763635 2.540161 3.167834 1.099647 0.000000 7.599847 8.503078 5.678297 7.233418 7.204098 6.343651 6.378036 8.030192 8.082901 7.319735 6.452189 8.806401 8.894342 7.638882 7.401006 8.157509 8.080892 6.515864 8.851857 7.736626 8.979785 5.494147 5.946641 5.927934 6.414123 6.378862 5.678638 5.912443 5.647687 5.856855 2.173537 2.765201 3.168032 2.540167 3.763752 3.488316 4.324774 3.764754 3.852596 1.099712 1.784809 0.000000 8.345383 9.083818 6.888741 7.974762 8.162627 7.532668 7.322241 8.954238 9.152357 8.586993 7.802751 9.582693 9.918809 8.986160 8.074387 8.666131 8.621274 7.415470 9.277077 8.368536 9.352034 6.952294 7.517065 7.623393 7.928300 8.132033 7.102485 7.151404 7.278646 7.473798 2.145456 2.839866 2.699262 3.166503 3.853173 2.839052 3.852593 3.165674 2.697857 1.107524 1.781749 1.781669 0.000000 4.274318 5.227317 2.696444 3.990917 3.991032 3.313957 3.313881 4.996218 5.374999 4.860770 3.895961 5.735766 6.332143 5.554221 4.860677 5.374834 4.996025 3.895895 5.735526 5.554178 6.331954 3.275941 4.849370 4.849533 5.673869 5.674168 3.938813 4.037522 3.939068 4.037858 2.521032 3.241625 4.288984 3.327124 3.317943 3.237799 3.314697 3.320102 4.285840 3.246183 3.326882 3.330737 4.292757 0.000000 C18H19BIN4O(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 0 0 425.9342699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,11,18,27,29,2;32,36,40,31;44/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(16,17)(18,19);(1,2,3);/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;4.3;/rA:44nC3O1BC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHC3CHHHCHHHCHHHI0/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s23;s27;s22s24;s29;;s31;s32;s32;s32;s31;s36;s36;s36;s31;s40;s40;s40;;/rC:-2.426,-1.893,.0028;-2.8977,-3.017,.0048;-1.0559,.7376,-.0019;-2.153,-1.1862,-1.2865;-2.1547,-1.1808,1.2894;-1.5419,.0901,1.3276;-1.5403,.0845,-1.3292;-2.5334,-1.7907,2.4884;-2.3149,-1.1191,3.6826;-1.7354,.1535,3.6289;-1.3601,.7444,2.503;-2.9955,-2.7797,2.4518;-2.593,-1.5562,4.6429;-1.5719,.7176,4.5542;-1.7309,.1383,-3.631;-2.3102,-1.1345,-3.6802;-2.5301,-1.8011,-2.4834;-1.357,.734,-2.5071;-2.9922,-2.79,-2.4433;-1.5664,.6986,-4.5584;-2.587,-1.5757,-4.6389;-.7212,2.2553,-.0048;-.2305,4.3159,-.6915;-.2316,4.3188,.6739;-.0378,5.1168,-1.3978;-.04,5.1227,1.3771;-.5391,3.0343,-1.0811;-.665,2.5988,-2.0068;-.5407,3.0389,1.0685;-.6679,2.6071,1.9958;3.839,-1.0674,.0032;4.113,-1.3888,1.4523;5.1364,-1.8018,1.5457;4.0546,-.494,2.0887;3.4127,-2.1404,1.8442;3.7691,-2.2788,-.8946;3.068,-3.0335,-.5101;3.4666,-2.0134,-1.9179;4.7709,-2.7477,-.9506;4.6754,.0618,-.5478;4.3737,.3336,-1.5697;4.6174,.9603,.0836;5.736,-.2552,-.5838;1.4843,-.1669,.0015; 0.1946560 0.1500725 0.1464950 -19.22934 -14.51721 -14.51719 -14.44307 -14.44306 -10.37420 -10.37094 -10.36118 -10.36058 -10.33763 -10.33763 -10.33220 -10.31509 -10.31508 -10.31325 -10.31324 -10.30430 -10.30429 -10.29927 -10.29920 -10.28863 -10.28721 -10.28637 -6.90959 -6.82082 -4.93014 -4.91773 -4.91748 -1.96372 -1.96034 -1.96011 -1.94949 -1.94949 -1.15831 -1.11859 -1.03400 -1.03350 -1.01563 -0.90293 -0.90102 -0.89296 -0.88638 -0.86687 -0.84211 -0.77589 -0.77473 -0.75752 -0.75435 -0.74085 -0.73782 -0.71990 -0.71858 -0.69580 -0.68394 -0.63859 -0.62020 -0.61495 -0.60851 -0.59240 -0.57816 -0.57055 -0.56424 -0.55768 -0.55507 -0.54609 -0.54407 -0.53540 -0.52298 -0.52253 -0.51403 -0.50359 -0.49435 -0.48937 -0.48573 -0.47746 -0.47392 -0.46786 -0.46667 -0.46502 -0.44357 -0.43989 -0.42540 -0.42033 -0.42015 -0.41459 -0.39501 -0.36800 -0.36075 -0.34953 -0.34593 -0.34001 -0.33006 -0.32429 -0.32371 -0.29529 -0.29361 -0.20732 -0.00402 0.02333 0.04971 0.05413 0.05845 0.08399 0.13522 0.13594 0.13894 0.15719 0.15990 0.17381 0.17503 0.18882 0.19414 0.19556 0.19916 0.20366 0.20737 0.20754 0.21055 0.21857 0.22757 0.22805 0.24196 0.24362 0.24534 0.24682 0.25923 0.26326 0.27786 0.27801 0.28010 0.28394 0.29511 0.30452 0.31825 0.32565 0.32764 0.33512 0.33665 0.34880 0.36213 0.36330 0.36781 0.37556 0.38480 0.39229 0.39529 0.39834 0.41969 0.42119 0.43861 0.45555 0.46210 0.46739 0.47535 0.47775 0.48455 0.49168 0.49310 0.49906 0.50494 0.52023 0.52678 0.52912 0.53084 0.53390 0.54023 0.54537 0.55154 0.55528 0.55929 0.56516 0.57055 0.57063 0.57963 0.59382 0.59745 0.60820 0.61192 0.61642 0.62489 0.63206 0.63332 0.65058 0.65905 0.65932 0.66105 0.67056 0.68453 0.68771 0.70192 0.70615 0.70792 0.71416 0.71842 0.72374 0.72515 0.72733 0.72906 0.73698 0.73788 0.73825 0.74687 0.75183 0.75780 0.75868 0.76746 0.77101 0.77285 0.77567 0.78030 0.78541 0.78793 0.79146 0.79752 0.79916 0.80647 0.80811 0.81197 0.81895 0.82291 0.82412 0.83102 0.83200 0.83674 0.83856 0.84350 0.84572 0.85312 0.85723 0.86183 0.88095 0.88363 0.88729 0.90039 0.91867 0.94241 0.95287 0.95681 0.96115 0.99033 1.01095 1.01120 1.02487 1.03816 1.04641 1.05548 1.05690 1.07723 1.08316 1.10636 1.14205 1.15004 1.15324 1.15995 1.16489 1.18557 1.19810 1.21410 1.21473 1.22189 1.22607 1.22901 1.23473 1.24004 1.25438 1.27327 1.27444 1.28732 1.30158 1.30921 1.32416 1.32947 1.34009 1.34905 1.35876 1.36220 1.36974 1.37855 1.37935 1.39149 1.39161 1.40196 1.41269 1.42720 1.43861 1.45136 1.46478 1.47954 1.52468 1.53023 1.54814 1.55196 1.56564 1.57346 1.59831 1.60193 1.61654 1.62786 1.62987 1.63137 1.66800 1.67189 1.67344 1.67398 1.68008 1.72408 1.73628 1.76503 1.77685 1.78198 1.78359 1.79524 1.79658 1.79877 1.81701 1.82081 1.82468 1.84558 1.84683 1.84856 1.84898 1.85696 1.86005 1.86262 1.87992 1.88276 1.88686 1.89135 1.89259 1.89399 1.91512 1.92198 1.92362 1.93477 1.94195 1.94451 1.95356 1.98246 1.98709 1.99416 1.99425 2.00446 2.00835 2.00944 2.01709 2.02197 2.02833 2.03660 2.03849 2.05002 2.06574 2.08145 2.08376 2.08878 2.10789 2.12684 2.13973 2.14213 2.15293 2.19035 2.20110 2.20980 2.21620 2.22677 2.23311 2.23993 2.25353 2.25431 2.26670 2.28907 2.28934 2.29128 2.31627 2.32904 2.34520 2.34790 2.37047 2.37561 2.38877 2.41650 2.43939 2.44854 2.45346 2.46648 2.46678 2.47133 2.47322 2.48981 2.51040 2.51282 2.51514 2.52928 2.53555 2.54374 2.56094 2.57331 2.60310 2.63093 2.63181 2.64307 2.66173 2.67699 2.68205 2.68461 2.69529 2.72465 2.72553 2.74347 2.75606 2.78730 2.80231 2.80663 2.81249 2.81717 2.82185 2.83156 2.83813 2.86243 2.86342 2.90095 2.91034 2.91542 2.93456 2.94607 2.96762 2.96859 2.98403 2.98544 3.00917 3.02160 3.02211 3.03224 3.05263 3.07021 3.11423 3.11883 3.14209 3.14885 3.14949 3.19324 3.20239 3.21265 3.24618 3.26943 3.38654 3.47782 3.48424 3.49328 3.61473 3.67452 3.72799 3.75977 3.76505 18.99264 19.00021 19.74789 56.69250 -19.22741 -14.51618 -14.51616 -14.44204 -14.44204 -10.37449 -10.37156 -10.36107 -10.36047 -10.33820 -10.33819 -10.32577 -10.31587 -10.31586 -10.31378 -10.31377 -10.30342 -10.30342 -10.29836 -10.29830 -10.28894 -10.28752 -10.28669 -6.91008 -6.81797 -4.93168 -4.91772 -4.91747 -1.96469 -1.96118 -1.96095 -1.94936 -1.94935 -1.15698 -1.11504 -1.03274 -1.03223 -1.01339 -0.89919 -0.89301 -0.89181 -0.88500 -0.86572 -0.84157 -0.77448 -0.77332 -0.75575 -0.75347 -0.74020 -0.73817 -0.71982 -0.71762 -0.69583 -0.68236 -0.63754 -0.61439 -0.61004 -0.60481 -0.59158 -0.57753 -0.56647 -0.56405 -0.55702 -0.55131 -0.54513 -0.54361 -0.52516 -0.52034 -0.51982 -0.50953 -0.50199 -0.49272 -0.48813 -0.48436 -0.47675 -0.47312 -0.46507 -0.46387 -0.45848 -0.44333 -0.43808 -0.41800 -0.41713 -0.41699 -0.41322 -0.38171 -0.36395 -0.35311 -0.34528 -0.34387 -0.33680 -0.32785 -0.32151 -0.31062 -0.29530 -0.29398 -0.02952 0.00697 0.05385 0.05473 0.05916 0.07236 0.08693 0.13546 0.13871 0.14052 0.15733 0.16006 0.17402 0.18406 0.19370 0.19423 0.19854 0.19940 0.20479 0.20784 0.20795 0.21613 0.21918 0.22872 0.23185 0.24287 0.24381 0.24641 0.24883 0.25999 0.26429 0.27780 0.27844 0.28521 0.28727 0.29466 0.31496 0.31978 0.33005 0.33267 0.33553 0.33814 0.34974 0.36214 0.36352 0.36824 0.37560 0.38512 0.39306 0.39532 0.39953 0.41998 0.42116 0.43884 0.45587 0.46250 0.46780 0.47578 0.47833 0.48882 0.49213 0.49376 0.49977 0.50674 0.52206 0.52749 0.52969 0.53133 0.53540 0.54004 0.54619 0.55165 0.55670 0.56023 0.56775 0.57130 0.57391 0.58053 0.59390 0.60354 0.60745 0.61221 0.62111 0.62550 0.63098 0.63519 0.65249 0.65980 0.66022 0.66188 0.67125 0.68662 0.68857 0.70710 0.70887 0.71148 0.71498 0.71840 0.72417 0.72561 0.72757 0.73021 0.73801 0.73901 0.74080 0.74930 0.75294 0.75953 0.76079 0.76842 0.77305 0.77636 0.77674 0.78189 0.78736 0.78923 0.79447 0.79819 0.79982 0.80707 0.81013 0.81263 0.82001 0.82393 0.82554 0.83131 0.83208 0.83776 0.83877 0.84475 0.84649 0.85449 0.85791 0.86275 0.88180 0.88359 0.88785 0.90117 0.92011 0.94419 0.95537 0.95886 0.96202 0.99442 1.01223 1.01252 1.02714 1.04077 1.05041 1.05602 1.05824 1.07824 1.09283 1.10720 1.14333 1.15204 1.15509 1.16108 1.16610 1.19003 1.19851 1.21680 1.21780 1.22503 1.23017 1.23254 1.23694 1.24509 1.25515 1.27640 1.27656 1.29032 1.30265 1.31130 1.32531 1.33059 1.34055 1.34965 1.35871 1.36574 1.37045 1.37978 1.38034 1.39240 1.39360 1.40313 1.41399 1.43299 1.43977 1.45215 1.46575 1.48174 1.52638 1.53180 1.55265 1.55743 1.57425 1.57532 1.60049 1.60393 1.61778 1.62906 1.63134 1.63287 1.66997 1.67378 1.67881 1.67931 1.68342 1.72546 1.73755 1.76829 1.78264 1.78365 1.79138 1.79637 1.79768 1.79979 1.81834 1.82180 1.82488 1.84786 1.84837 1.85479 1.85498 1.85788 1.86108 1.86324 1.88037 1.88313 1.88775 1.89273 1.89392 1.89526 1.92124 1.92470 1.92623 1.93605 1.94258 1.94643 1.95412 1.98256 1.98922 1.99524 1.99535 2.00627 2.00977 2.01064 2.01969 2.02241 2.03000 2.03745 2.03927 2.05059 2.06629 2.08174 2.08423 2.08922 2.10875 2.12768 2.13998 2.14347 2.15313 2.19146 2.20212 2.21363 2.22306 2.22737 2.23346 2.24131 2.25797 2.25869 2.26672 2.29023 2.29575 2.29637 2.31741 2.32982 2.34663 2.34831 2.37126 2.37625 2.38978 2.41788 2.44093 2.45090 2.45466 2.46787 2.46816 2.47192 2.47379 2.49115 2.51186 2.51396 2.51629 2.52960 2.53604 2.54542 2.56212 2.57611 2.60435 2.63703 2.63787 2.64433 2.66758 2.67841 2.68278 2.68659 2.69714 2.72616 2.72706 2.74507 2.75737 2.78752 2.80320 2.81058 2.81540 2.82185 2.82270 2.83338 2.83961 2.86428 2.86674 2.90282 2.91236 2.91585 2.93588 2.94758 2.97091 2.97184 2.98515 2.98592 3.01103 3.02444 3.02492 3.03335 3.05297 3.07037 3.11465 3.11926 3.14365 3.15071 3.15135 3.19424 3.20315 3.21333 3.25123 3.27032 3.38700 3.47861 3.48505 3.49397 3.61569 3.67502 3.72866 3.76179 3.76555 18.99272 19.00031 19.74404 56.69245 2-A. 1.3996 5.6060 -0.0123 5.7781 -166.3252 -148.5342 -145.3669 -6.3778 -0.0092 0.0068 -12.9164 4.8746 8.0418 -6.3778 -0.0092 0.0068 142.1165 136.3520 -1.0691 51.8167 -10.4627 0.2367 -16.4027 1.4366 0.6914 0.2054 -5510.7468 -3165.2930 -3097.9913 -85.4165 1.4984 -63.0455 -2.8443 -4.5684 1.1135 -1613.4562 -1448.0929 -1051.6482 2.6944 3.0555 75.4420 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 425.9342699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,11,18,27,29,2;32,36,40,31;44/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(16,17)(18,19);(1,2,3);/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;4.3;/rA:44nC3O1BC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHC3CHHHCHHHCHHHI0/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s23;s27;s22s24;s29;;s31;s32;s32;s32;s31;s36;s36;s36;s31;s40;s40;s40;;/rC:-2.4189,-1.8882,-.1857;-2.8957,-3.0054,-.2717;-.9936,.7104,.0218;-2.1174,-1.0937,-1.4175;-2.1776,-1.266,1.1537;-1.5482,-.0121,1.2937;-1.486,.1657,-1.3596;-2.6066,-1.9454,2.2967;-2.4221,-1.3543,3.5386;-1.8273,-.0897,3.5857;-1.4034,.5646,2.512;-3.0805,-2.9226,2.181;-2.7398,-1.8472,4.4587;-1.6921,.4146,4.5491;-1.6577,.3951,-3.652;-2.2502,-.8626,-3.8017;-2.4905,-1.6134,-2.6596;-1.2864,.8991,-2.4821;-2.9663,-2.5959,-2.6974;-1.4793,1.0228,-4.5323;-2.5231,-1.2275,-4.7931;-.7049,2.24,.131;-.2596,4.3552,-.4013;-.2915,4.264,.9606;-.0743,5.2075,-1.0468;-.1391,5.0221,1.7219;-.5219,3.0951,-.8843;-.6201,2.7217,-1.8403;-.5721,2.9515,1.2586;-.7134,2.4544,2.1507;3.8832,-1.0807,.0153;4.4773,-.5376,1.2895;5.5248,-.8861,1.3856;4.4914,.5623,1.2988;3.9288,-.8853,2.1772;3.6844,-2.5745,.0014;3.1372,-2.9232,.8895;3.1386,-2.9069,-.8937;4.6718,-3.0773,-.0024;4.4792,-.5143,-1.2479;3.9323,-.8459,-2.1427;4.493,.5855,-1.2372;5.5269,-.8609,-1.3486;1.4862,-.164,.0212; 0.000000 1.217768 0.000000 2.971083 4.184690 0.000000 1.496425 2.360723 2.566980 0.000000 1.496424 2.360726 2.566977 2.577621 0.000000 2.542977 3.636847 1.564437 2.974008 1.410017 0.000000 2.542975 3.636843 1.564441 1.410016 2.974004 2.660036 0.000000 2.490137 2.793561 3.851037 3.841832 1.397175 2.421563 4.368184 0.000000 3.762414 4.179639 4.321124 4.972300 2.399083 2.757701 5.213400 1.387760 0.000000 4.219893 4.951964 3.746571 5.111120 2.724111 2.310173 4.963631 2.390004 1.398218 0.000000 3.784818 4.766648 2.527930 4.324411 2.407368 1.355589 3.892985 2.791784 2.402884 1.326898 0.000000 2.666280 2.461045 4.713474 4.149866 2.148290 3.406890 4.961469 1.092268 2.176367 3.401328 3.883714 0.000000 4.655632 4.872610 5.410847 5.956874 3.402492 3.847702 6.283040 2.168307 1.091070 2.164164 3.375294 2.541753 0.000000 5.315026 6.032035 4.590508 6.168984 3.819564 3.286402 5.917605 3.388079 2.163957 1.095851 2.062988 4.321198 2.494296 0.000000 4.219897 4.951964 3.746572 2.724112 5.111123 4.963637 2.310174 6.462556 7.439704 7.255829 6.171521 6.859650 8.484184 8.201207 0.000000 3.762418 4.179639 4.321125 2.399084 4.972304 5.213406 2.757700 6.204032 7.358798 7.439703 6.528123 6.381687 8.333261 8.466349 1.398217 0.000000 2.490141 2.793560 3.851039 1.397175 3.841835 4.368188 2.421561 4.968763 6.204030 6.462554 5.715824 5.049114 7.126485 7.530998 2.390004 1.387761 0.000000 3.784815 4.766643 2.527930 2.407365 4.324407 3.892984 1.355587 5.715819 6.528116 6.171514 5.006592 6.290365 7.604516 7.059544 1.326899 2.402882 2.791781 0.000000 2.666285 2.461045 4.713477 2.148290 4.149870 4.961475 3.406888 5.049115 6.381685 6.859648 6.290372 4.890655 7.198700 7.949748 3.401328 2.176367 1.092268 3.883711 0.000000 5.315029 6.032035 4.590506 3.819565 6.168987 5.917609 3.286401 7.531001 8.466350 8.201207 7.059550 7.949751 9.521735 9.104254 1.095850 2.163957 3.388079 2.062989 4.321199 0.000000 4.655637 4.872610 5.410847 3.402493 5.956879 6.283047 3.847702 7.126490 8.333263 8.484186 7.604524 7.198705 9.274996 9.521735 2.164163 1.091070 2.168309 3.375293 2.541754 2.494297 0.000000 4.481098 5.698821 1.560437 3.937890 3.937890 2.671145 2.671144 5.081786 5.242134 4.315382 2.994019 6.041478 6.290922 4.881313 4.315383 5.242135 5.081786 2.994017 6.041478 4.881314 6.290923 0.000000 6.609741 7.819491 3.741930 5.845944 6.139561 4.858630 4.469295 7.244628 7.266161 6.173385 4.915670 8.221467 8.260784 6.487469 5.310797 6.538377 6.760246 4.162747 7.804835 5.445874 7.455048 2.226093 0.000000 6.609753 7.819503 3.741933 6.139566 5.845961 4.469312 4.858629 6.760268 6.538400 5.310819 4.162768 7.804857 7.455071 5.445897 6.173383 7.266161 7.244631 4.915663 8.221472 6.487463 8.260785 2.226094 1.365246 0.000000 7.522475 8.718578 4.712837 6.634588 7.153483 5.907148 5.245099 8.291900 8.342386 7.252150 5.999007 9.249629 9.337280 7.543500 5.696853 7.012135 7.413775 4.700166 8.484155 5.624438 7.838416 3.254357 1.085134 2.228656 0.000000 7.522494 8.718601 4.712841 7.153494 6.634614 5.245121 5.907150 7.413810 7.012171 5.696886 4.700194 8.484191 7.838455 5.624473 7.252152 8.342392 8.291909 5.999002 9.249642 7.543498 9.337287 3.254356 2.228657 1.085133 2.775613 0.000000 5.377666 6.574651 2.594214 4.513978 5.090525 3.930807 3.120374 6.314332 6.555124 5.641597 4.326082 7.221864 7.608735 6.170646 4.029901 5.211614 5.403378 2.821245 6.453590 4.303304 6.161786 1.339913 1.374794 2.196128 2.165469 3.263743 0.000000 5.217749 6.359201 2.766252 4.120536 5.224157 4.261121 2.741241 6.545466 6.985277 6.229193 4.920277 7.354164 8.065108 6.877304 3.126093 4.399059 4.791993 2.043979 5.875060 3.297182 5.285541 2.031043 2.206554 3.214219 2.665823 4.267525 1.030974 0.000000 5.377688 6.574674 2.594220 5.090542 4.514002 3.120396 3.930816 5.403407 5.211641 4.029925 2.821269 6.453619 6.161814 4.303326 5.641607 6.555138 6.314348 4.326085 7.221883 6.170652 7.608750 1.339913 2.196127 1.374794 3.263742 2.165467 2.148269 3.107745 0.000000 5.217798 6.359253 2.766272 5.224199 4.120589 2.741288 4.261149 4.792052 4.399115 3.126143 2.044029 5.875119 5.285595 3.297223 6.229221 6.985313 6.545507 4.920294 7.354211 6.877325 8.065146 2.031046 3.214212 2.206545 4.267517 2.665809 3.107745 4.000977 1.030970 0.000000 6.356820 7.052637 5.195256 6.169271 6.169560 5.681169 5.680849 6.933215 7.228120 6.807280 6.073562 7.521741 8.012205 7.339993 6.806482 7.227361 6.932700 6.072968 7.521282 7.339043 8.011331 5.664838 6.847243 6.847354 7.505391 7.505593 6.136034 6.179033 6.136231 6.179421 0.000000 7.180444 7.930228 5.752857 7.150349 6.696053 6.048345 6.563079 7.292314 7.302586 6.724655 6.106709 7.975244 7.990351 7.042273 7.932658 8.443054 8.081040 7.036303 8.691341 8.474077 9.299406 5.992682 7.016869 6.775273 7.692967 7.239287 6.550883 6.811903 6.137659 6.052870 1.507197 0.000000 8.159427 8.839820 6.848226 8.142712 7.715263 7.127346 7.602258 8.250537 8.246710 7.715419 7.167496 8.878742 8.869681 7.986454 8.866093 9.346602 9.007641 8.033597 9.575649 9.366087 10.151877 7.082051 8.007720 7.780285 8.625475 8.191372 7.587174 7.821907 7.205210 7.117557 2.147239 1.108118 0.000000 7.480701 8.352447 5.633589 7.334606 6.916575 6.066774 6.553908 7.593756 7.515750 6.751334 6.018305 8.381944 8.251106 6.987285 7.896169 8.572835 8.315574 6.913106 9.031069 8.358393 9.461297 5.583843 6.312527 6.057408 6.922796 6.442759 6.026103 6.375230 5.598942 5.603168 2.171781 1.100010 1.781405 0.000000 6.847158 7.554211 5.605578 7.037217 6.203336 5.616099 6.552455 6.621914 6.512153 5.979107 5.535965 7.299476 7.113460 6.237849 8.174882 8.598152 8.070490 7.217477 8.615740 8.826484 9.504152 5.951964 7.187099 6.768019 7.971308 7.186918 6.710107 7.059993 5.985234 5.718815 2.171240 1.099885 1.781492 1.784267 0.000000 6.144658 6.599793 5.716180 6.153608 6.115803 5.967898 6.007871 6.726085 7.161727 7.028479 6.484017 7.115891 7.852788 7.650038 7.120695 7.253529 6.792205 6.553097 7.177452 7.756283 7.958269 6.516311 7.983646 7.968223 8.705580 8.676802 7.114925 7.069004 7.087669 7.017850 1.507113 2.537146 2.855504 3.489144 2.765389 0.000000 5.753131 6.144178 5.569548 6.023321 5.573486 5.530913 5.997873 5.993955 6.354982 6.320142 5.951000 6.350477 6.959609 6.917806 7.391068 7.434912 6.781087 6.748819 7.087049 8.141260 8.197924 6.480438 8.135108 7.963458 8.953896 8.634478 7.263311 7.309900 6.957551 6.733264 2.171583 2.765342 3.177492 3.761656 2.537318 1.099845 0.000000 5.694295 6.066998 5.567537 5.584533 5.928416 5.927072 5.571761 6.641520 7.278572 7.256775 6.654261 6.937677 8.020365 7.999502 6.443239 6.455543 6.039679 6.048884 6.373335 7.071560 7.076660 6.504801 8.032919 8.162380 8.728657 8.969503 7.030124 6.834073 7.260980 7.269757 2.171577 3.488883 3.869493 4.321146 3.760584 1.099846 1.783315 0.000000 7.192125 7.572611 6.814997 7.213214 7.178602 7.054355 7.090700 7.716369 8.113708 8.002413 7.516250 8.055466 8.737681 8.567951 8.089484 8.200814 7.778318 7.580315 8.113907 8.669918 8.839569 7.563103 8.928618 8.913808 9.604937 9.576924 8.114861 8.062915 8.089201 8.014774 2.146829 2.856088 2.730509 3.869436 3.179299 1.108069 1.781671 1.781650 0.000000 7.113410 7.845226 5.750115 6.624214 7.116619 6.560617 6.004944 8.051137 8.440687 7.957138 7.064430 8.643347 9.298190 8.517878 6.653510 7.206116 7.195688 6.063330 7.865731 6.975306 7.880924 6.030161 6.847344 7.104180 7.315407 7.797437 6.178341 6.068451 6.618935 6.879496 1.507183 2.537523 2.857762 2.764949 3.488838 2.537124 3.488868 2.765318 2.856035 0.000000 6.727091 7.401650 5.600951 6.098009 6.955060 6.522192 5.567244 7.979542 8.538955 8.158305 7.219718 8.496242 9.439115 8.831909 5.921661 6.401173 6.489059 5.513158 7.138631 6.203860 6.988654 6.016249 6.903313 7.319882 7.341492 8.120538 6.079024 5.791637 6.802770 7.134912 2.171226 3.488846 3.871256 3.760218 4.320070 2.765287 3.760517 2.537205 3.179095 1.099876 0.000000 7.416171 8.271591 5.630541 6.822747 7.324018 6.577087 5.994999 8.324516 8.624957 7.978833 6.987412 9.019390 9.522311 8.471498 6.610539 7.358267 7.458390 5.920292 8.239808 6.835053 8.071959 5.623793 6.123456 6.422792 6.500741 7.063625 5.618896 5.574103 6.122216 6.486672 2.171769 2.765079 3.179498 2.536054 3.760256 3.489106 4.321116 3.761532 3.869451 1.099997 1.784179 0.000000 8.095980 8.757800 6.845745 7.648209 8.110853 7.599979 7.087721 8.978792 9.344332 8.889706 8.060146 9.528793 10.150716 9.408797 7.648698 8.154818 8.158686 7.127718 8.772937 7.922892 8.763622 7.116209 7.847899 8.090157 8.263834 8.725865 7.242531 7.131809 7.650484 7.885333 2.147214 2.857641 2.734371 3.179115 3.871202 2.855570 3.869531 3.177625 2.730548 1.108119 1.781504 1.781447 0.000000 4.273856 5.230715 2.629454 3.990020 3.990067 3.293926 3.293870 5.010224 5.391145 4.867292 3.883923 5.755886 6.354850 5.562295 4.867139 5.391007 5.010138 3.883808 5.755818 5.562112 6.354695 3.254578 4.863088 4.863090 5.694663 5.694664 3.933721 4.028524 3.933728 4.028557 2.566253 3.270304 4.323566 3.345252 3.336942 3.262358 3.330628 3.330247 4.316932 3.269777 3.336201 3.344530 4.323132 0.000000 C18H19BIN4O(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 0 0 425.9342699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,11,18,27,29,2;32,36,40,31;44/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(16,17)(18,19);(1,2,3);/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;4.3;/rA:44nC3O1BC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHC3CHHHCHHHCHHHI0/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s23;s27;s22s24;s29;;s31;s32;s32;s32;s31;s36;s36;s36;s31;s40;s40;s40;;/rC:-2.4066,-1.9156,.0011;-2.8742,-3.04,.0019;-1.0022,.7026,-.0007;-2.1406,-1.2041,-1.2882;-2.1412,-1.202,1.2894;-1.5209,.0636,1.3297;-1.5203,.0614,-1.3303;-2.5377,-1.8058,2.4854;-2.331,-1.1303,3.6799;-1.7476,.1393,3.6275;-1.3543,.7227,2.5025;-3.0046,-2.7925,2.447;-2.6231,-1.5623,4.6383;-1.5956,.7089,4.5513;-1.7458,.1334,-3.6283;-2.3292,-1.1363,-3.6789;-2.5365,-1.8099,-2.4834;-1.3531,.7186,-2.5041;-3.0035,-2.7965,-2.4436;-1.5934,.7014,-4.5529;-2.6208,-1.5699,-4.6367;-.7259,2.2384,-.0019;-.3133,4.3162,-.6861;-.3136,4.3173,.6791;-.1509,5.1242,-1.3919;-.1514,5.1265,1.3837;-.5742,3.0241,-1.0766;-.6902,2.586,-2.0026;-.5746,3.0258,1.0717;-.6911,2.5893,1.9983;3.8904,-1.0449,.0012;4.5077,-.4118,1.2217;5.5605,-.7445,1.3169;4.5113,.6862,1.1562;3.9828,-.703,2.1434;3.7058,-2.5379,.0931;3.1822,-2.83,1.0151;3.1432,-2.9346,-.7647;4.6977,-3.0317,.1003;4.4523,-.5608,-1.3108;3.8885,-.9567,-2.1682;4.4556,.5373,-1.3748;5.5008,-.9048,-1.4121;1.4854,-.1496,.0005; 0.1949557 0.1493481 0.1458880 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= 479 478 478 478 479 MxSgAt= 44 MxSgA2= 44. 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= 479 478 478 478 479 MxSgAt= 44 MxSgA2= 44. 1 0.8179 Using compressed storage, NAtomX= 44. Will process 45 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111 Direct CPHF calculation. 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. 13260 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= 132 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= 132 NMatS0= 132 NMatT0= 0 NMatD0= 132 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 135 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 129 vectors produced by pass 0 Test12= 6.96D-14 1.00D-09 XBig12= 2.77D-01 1.20D-01. AX will form 129 AO Fock derivatives at one time. 129 vectors produced by pass 1 Test12= 6.96D-14 1.00D-09 XBig12= 3.30D-02 3.29D-02. 129 vectors produced by pass 2 Test12= 6.96D-14 1.00D-09 XBig12= 9.02D-04 1.02D-02. 129 vectors produced by pass 3 Test12= 6.96D-14 1.00D-09 XBig12= 2.23D-05 1.09D-03. 129 vectors produced by pass 4 Test12= 6.96D-14 1.00D-09 XBig12= 5.00D-07 1.14D-04. 129 vectors produced by pass 5 Test12= 6.96D-14 1.00D-09 XBig12= 6.95D-09 2.05D-05. 129 vectors produced by pass 6 Test12= 6.96D-14 1.00D-09 XBig12= 9.17D-11 2.04D-06. 97 vectors produced by pass 7 Test12= 6.96D-14 1.00D-09 XBig12= 8.65D-13 8.76D-08. 35 vectors produced by pass 8 Test12= 6.96D-14 1.00D-09 XBig12= 7.00D-15 9.39D-09. 6 vectors produced by pass 9 Test12= 6.96D-14 1.00D-09 XBig12= 1.77D-15 3.02D-09. 4 vectors produced by pass 10 Test12= 6.96D-14 1.00D-09 XBig12= 1.72D-15 3.72D-09. 1 vectors produced by pass 11 Test12= 6.96D-14 1.00D-09 XBig12= 3.55D-16 1.44D-09. InvSVY: IOpt=1 It= 1 EMax= 5.55D-16 Solved reduced A of dimension 1046 with 135 vectors. End of Minotr F.D. properties file 721 does not exist. 0.000 0.000 0.000 0.000 0.000 0.000 337.636 19.746 335.909 -0.083 0.066 341.158 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 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 H H H C H H H C 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 1 1 1 13 1 1 1 13 1 1 1 127 -0.01190 0.02952 0.05217 0.01311 0.01312 -0.03003 -0.03003 -0.01163 0.01358 -0.01217 0.01709 0.00056 -0.00108 0.00057 -0.01217 0.01357 -0.01162 0.01709 0.00056 0.00057 -0.00108 -0.02905 -0.00076 -0.00076 -0.00023 -0.00023 0.01695 -0.00089 0.01695 -0.00089 0.17574 -0.01467 0.00949 0.00161 0.00164 -0.01466 0.00163 0.00161 0.00948 -0.01474 0.00163 0.00162 0.00947 0.00026 -13.37307 -17.89395 74.82538 14.73821 14.74903 -33.76278 -33.75606 -13.07266 15.26668 -13.68327 5.52271 2.49563 -4.81179 2.56064 -13.67719 15.25957 -13.06768 5.52029 2.49487 2.55934 -4.80959 -32.65438 -0.85864 -0.85958 -1.02939 -1.02928 5.47516 -3.96367 5.47753 -3.96531 197.56546 -16.48718 42.41386 7.20881 7.33960 -16.48556 7.29324 7.21543 42.38392 -16.57193 7.28729 7.25390 42.33667 0.23727 -4.77184 -6.38501 26.69956 5.25896 5.26282 -12.04740 -12.04500 -4.66465 5.44753 -4.88253 1.97064 0.89050 -1.71697 0.91370 -4.88036 5.44499 -4.66287 1.96978 0.89023 0.91324 -1.71618 -11.65190 -0.30638 -0.30672 -0.36731 -0.36727 1.95367 -1.41434 1.95452 -1.41492 70.49627 -5.88303 15.13432 2.57228 2.61895 -5.88246 2.60241 2.57465 15.12364 -5.91328 2.60029 2.58837 15.10678 0.08466 -4.46078 -5.96878 24.95906 4.91614 4.91975 -11.26205 -11.25981 -4.36057 5.09242 -4.56425 1.84218 0.83245 -1.60504 0.85414 -4.56222 5.09005 -4.35891 1.84137 0.83220 0.85370 -1.60431 -10.89233 -0.28641 -0.28672 -0.34337 -0.34333 1.82632 -1.32214 1.82711 -1.32269 65.90074 -5.49953 14.14774 2.40460 2.44823 -5.49899 2.43276 2.40681 14.13775 -5.52780 2.43078 2.41964 14.12199 0.07914 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 -0.009199 0.247588 0.169077 0.052168 0.052185 -0.033943 -0.033890 -0.030154 0.056557 -0.033548 0.085234 -0.001615 -0.000416 -0.000772 -0.033555 0.056561 -0.030160 0.085237 -0.001615 -0.000775 -0.000421 -0.012544 0.012812 0.012809 -0.000915 -0.000916 0.114054 -0.002974 0.114087 -0.002973 0.430846 -0.004641 0.000254 -0.003110 -0.003489 -0.006676 -0.002327 -0.003099 -0.001045 0.002499 -0.002512 -0.001366 0.004298 -0.065971 0.009805 -0.090329 -0.065638 -0.013149 -0.013188 0.014675 0.014677 0.007372 -0.020480 0.010926 -0.029399 -0.002137 -0.003022 0.000245 0.010927 -0.020440 0.007360 -0.029329 -0.002132 0.000262 -0.002987 0.003382 -0.004763 -0.004760 0.001154 0.001170 -0.050680 -0.001451 -0.050713 -0.001472 -0.162906 -0.005041 -0.003340 -0.004437 -0.001506 0.006911 0.006441 -0.001938 0.002758 0.001494 0.001005 0.006429 -0.000742 0.026039 -0.000606 -0.157259 -0.103439 -0.039019 -0.038997 0.019268 0.019213 0.022782 -0.036077 0.022622 -0.055834 0.003752 0.003437 0.000527 0.022628 -0.036121 0.022800 -0.055908 0.003747 0.000513 0.003408 0.009162 -0.008049 -0.008049 -0.000240 -0.000254 -0.063374 0.004425 -0.063375 0.004445 -0.267940 0.009683 0.003086 0.007547 0.004996 -0.000235 -0.004114 0.005036 -0.001713 -0.003993 0.001507 -0.005063 -0.003555 0.039932 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 0.008254 -0.164672 -0.100629 -0.048978 -0.048990 0.014724 0.014670 0.023133 -0.042691 0.026004 -0.068734 0.000023 -0.000883 0.000930 0.026017 -0.042696 0.023141 -0.068781 0.000026 0.000933 -0.000878 0.020981 -0.004066 -0.004062 0.000386 0.000385 -0.040593 0.000611 -0.040562 0.000612 -0.270853 -0.001502 -0.002440 0.000121 0.000145 -0.002012 0.003086 0.000556 -0.002980 0.009240 0.001957 0.004473 0.003318 0.039612 -0.000024 0.000626 0.000375 -0.004827 0.005158 0.007906 -0.008026 -0.004716 0.006953 -0.007525 0.014666 -0.000753 -0.002201 -0.001254 0.007346 -0.006657 0.004550 -0.014201 0.000746 0.001249 0.002199 -0.000062 -0.000286 0.000335 -0.000375 0.000372 -0.007834 0.000951 0.008286 -0.000966 0.000242 0.006376 0.003731 0.001718 -0.001703 -0.001622 0.001385 0.001351 -0.001165 -0.004772 -0.003100 0.000327 -0.002570 -0.000116 -0.000016 -0.000255 -0.000138 0.004135 -0.004311 -0.001718 0.001750 0.001885 -0.005231 -0.000077 -0.007196 -0.000550 -0.004024 -0.002045 0.000159 0.005110 -0.001789 0.006999 0.000574 0.002046 0.004048 0.000029 -0.000214 0.000193 -0.001860 0.001855 0.000116 0.002574 -0.000233 -0.002551 -0.000079 -0.004811 -0.002599 0.002809 -0.005583 0.009054 0.003196 0.005678 0.004555 -0.004302 -0.006014 -0.000104 -0.001975 0.000041 0.9367 -0.35 0.0014 -7.0E-4 0.0021 1.0 0.35 0.9367 -0.0017 -0.0123 -6.0E-4 0.0129 -1.648 -0.081 1.73 -0.588 -0.029 0.617 -0.55 -0.027 0.577 1 C 13 0.3767 0.9263 0.0032 -0.0026 -0.0025 1.0 0.9263 -0.3767 0.0014 -0.1573 -0.1573 0.3146 11.382 11.379 -22.762 4.061 4.06 -8.122 3.797 3.796 -7.592 2 O 17 -0.0014 0.0 1.0 0.347 0.9379 4.0E-4 0.9379 -0.347 0.0013 -0.1034 -0.1029 0.2063 -17.71 -17.613 35.324 -6.32 -6.285 12.604 -5.908 -5.875 11.783 3 B 11 -0.3019 -0.6421 0.7047 0.3662 0.6043 0.7076 0.8802 -0.4717 -0.0527 -0.0407 -0.038 0.0787 -5.464 -5.097 10.561 -1.95 -1.819 3.769 -1.823 -1.7 3.523 4 C 13 0.3012 0.6452 0.7021 -0.3671 -0.6011 0.7098 0.8801 -0.4715 0.0558 -0.0407 -0.038 0.0788 -5.468 -5.101 10.569 -1.951 -1.82 3.771 -1.824 -1.702 3.525 5 C 13 0.9544 -0.2653 -0.1369 0.2241 0.9396 -0.2589 0.1973 0.2164 0.9562 -0.0392 0.0187 0.0205 -5.256 2.504 2.752 -1.876 0.893 0.982 -1.753 0.835 0.918 6 C 13 0.9542 -0.2647 0.1392 0.2234 0.9404 0.2565 -0.1988 -0.2136 0.9565 -0.0391 0.0186 0.0205 -5.251 2.501 2.75 -1.874 0.893 0.981 -1.752 0.834 0.917 7 C 13 0.9001 -0.4284 0.0785 0.424 0.9032 0.0675 -0.0998 -0.0274 0.9946 -0.0416 0.0184 0.0232 -5.579 2.465 3.114 -1.991 0.88 1.111 -1.861 0.822 1.039 8 C 13 0.3299 0.8247 0.4594 -0.2488 -0.3935 0.885 0.9106 -0.4063 0.0753 -0.0405 -0.0357 0.0762 -5.431 -4.791 10.223 -1.938 -1.71 3.648 -1.812 -1.598 3.41 9 C 13 0.9058 -0.4122 0.0986 0.2403 0.6911 0.6817 -0.3491 -0.5938 0.725 -0.0462 0.0199 0.0263 -6.2 2.669 3.53 -2.212 0.952 1.26 -2.068 0.89 1.178 10 C 13 0.4172 0.9061 0.0697 -0.1138 -0.0241 0.9932 0.9017 -0.4223 0.093 -0.0616 -0.0573 0.1189 -2.376 -2.211 4.587 -0.848 -0.789 1.637 -0.792 -0.738 1.53 11 N 14 0.095 0.9901 0.1036 0.9863 -0.1078 0.1251 -0.135 -0.0903 0.9867 -0.0022 -0.0017 0.0039 -1.17 -0.914 2.084 -0.417 -0.326 0.743 -0.39 -0.305 0.695 12 H 1 0.3342 0.8275 0.4512 0.9058 -0.4144 0.089 -0.2606 -0.3789 0.888 -0.0056 -2.0E-4 0.0058 -2.973 -0.122 3.095 -1.061 -0.043 1.104 -0.992 -0.041 1.032 13 H 1 0.403 0.5578 0.7255 0.8346 -0.5493 -0.0413 -0.3755 -0.6222 0.6869 -0.0017 -0.0013 0.0031 -0.93 -0.705 1.635 -0.332 -0.252 0.583 -0.31 -0.235 0.545 14 H 1 0.9059 -0.4125 -0.0958 0.2411 0.6883 -0.6842 0.3481 0.5968 0.723 -0.0462 0.0199 0.0263 -6.197 2.668 3.529 -2.211 0.952 1.259 -2.067 0.89 1.177 15 C 13 0.3304 0.8228 -0.4625 0.2476 0.3973 0.8837 0.9108 -0.4065 -0.0725 -0.0405 -0.0357 0.0761 -5.429 -4.789 10.218 -1.937 -1.709 3.646 -1.811 -1.597 3.408 16 C 13 0.9003 -0.4286 -0.0756 0.424 0.9029 -0.0707 0.0985 0.0316 0.9946 -0.0416 0.0184 0.0232 -5.577 2.465 3.112 -1.99 0.879 1.111 -1.86 0.822 1.038 17 C 13 0.4173 0.9058 -0.0729 0.1125 0.0281 0.9933 0.9018 -0.4227 -0.0902 -0.0616 -0.0573 0.1189 -2.375 -2.211 4.586 -0.847 -0.789 1.636 -0.792 -0.737 1.53 18 N 14 0.0953 0.9896 -0.1076 0.9864 -0.1084 -0.1233 0.1337 0.0944 0.9865 -0.0022 -0.0017 0.0039 -1.17 -0.913 2.083 -0.417 -0.326 0.743 -0.39 -0.305 0.695 19 H 1 -0.4051 -0.5541 0.7272 0.834 -0.5499 0.0456 0.3746 0.625 0.6849 -0.0017 -0.0013 0.0031 -0.929 -0.705 1.634 -0.331 -0.252 0.583 -0.31 -0.235 0.545 20 H 1 0.3348 0.8256 -0.4542 0.9059 -0.4147 -0.0861 0.2595 0.3826 0.8867 -0.0056 -2.0E-4 0.0058 -2.972 -0.122 3.093 -1.06 -0.043 1.104 -0.991 -0.041 1.032 21 H 1 0.8231 -0.568 0.0019 -8.0E-4 0.0022 1.0 0.568 0.8231 -0.0014 -0.027 0.0092 0.0179 -3.626 1.23 2.397 -1.294 0.439 0.855 -1.21 0.41 0.799 22 C 13 0.0342 0.1059 0.9938 0.2124 0.9709 -0.1108 0.9766 -0.2148 -0.0107 -0.0081 -0.0056 0.0137 -1.085 -0.755 1.84 -0.387 -0.269 0.656 -0.362 -0.252 0.614 23 C 13 -0.0357 -0.1016 0.9942 0.2121 0.9714 0.1069 0.9766 -0.2147 0.0131 -0.0081 -0.0056 0.0137 -1.084 -0.755 1.839 -0.387 -0.269 0.656 -0.362 -0.252 0.614 24 C 13 0.1566 0.5454 0.8234 0.9758 -0.2142 -0.0437 0.1526 0.8104 -0.5657 -0.0015 -0.001 0.0025 -0.823 -0.524 1.347 -0.294 -0.187 0.481 -0.275 -0.175 0.449 25 H 1 -0.1569 -0.5421 0.8255 0.9759 -0.2135 0.0453 0.1517 0.8127 0.5625 -0.0015 -0.001 0.0025 -0.823 -0.524 1.348 -0.294 -0.187 0.481 -0.275 -0.175 0.449 26 H 1 0.1204 0.3496 0.9291 0.1961 0.9091 -0.3675 0.9732 -0.2264 -0.0409 -0.0643 -0.0595 0.1238 -2.482 -2.294 4.776 -0.886 -0.819 1.704 -0.828 -0.765 1.593 27 N 14 0.9487 -0.316 -0.0117 0.2887 0.8808 -0.3753 0.1289 0.3527 0.9268 -0.0032 -0.0023 0.0055 -1.701 -1.253 2.954 -0.607 -0.447 1.054 -0.568 -0.418 0.985 28 H 1 -0.1218 -0.3458 0.9304 0.1954 0.9107 0.364 0.9731 -0.2261 0.0433 -0.0644 -0.0595 0.1239 -2.483 -2.295 4.778 -0.886 -0.819 1.705 -0.828 -0.766 1.594 29 N 14 0.9486 -0.3161 0.0144 0.2883 0.8822 0.3722 -0.1304 -0.3489 0.928 -0.0032 -0.0023 0.0055 -1.703 -1.253 2.956 -0.608 -0.447 1.055 -0.568 -0.418 0.986 30 H 1 -0.0996 -0.2561 0.9615 0.3474 0.8966 0.2747 0.9324 -0.3614 3.0E-4 -0.2679 -0.2679 0.5358 -35.956 -35.949 71.904 -12.83 -12.827 25.657 -11.993 -11.991 23.985 31 C 13 0.8405 -0.3464 -0.4166 0.4222 0.9007 0.1028 0.3396 -0.2622 0.9033 -0.0072 -0.0063 0.0135 -0.964 -0.845 1.808 -0.344 -0.301 0.645 -0.321 -0.282 0.603 32 C 13 0.3524 0.9252 0.1406 0.7556 -0.1926 -0.6261 0.5522 -0.3269 0.7669 -0.0047 -0.0022 0.0069 -2.488 -1.182 3.671 -0.888 -0.422 1.31 -0.83 -0.394 1.224 33 H 1 0.1428 0.9619 -0.233 0.9789 -0.172 -0.1102 0.1461 0.2124 0.9662 -0.0051 -0.0033 0.0084 -2.721 -1.774 4.495 -0.971 -0.633 1.604 -0.908 -0.592 1.499 34 H 1 0.4543 0.7446 0.4891 0.8814 -0.4555 -0.1253 -0.1295 -0.488 0.8632 -0.0051 -0.0033 0.0084 -2.713 -1.773 4.486 -0.968 -0.633 1.601 -0.905 -0.591 1.496 35 H 1 0.9481 -0.0652 0.3113 -0.2914 -0.5697 0.7685 -0.1272 0.8193 0.5591 -0.0071 -0.0063 0.0134 -0.949 -0.85 1.798 -0.339 -0.303 0.642 -0.316 -0.283 0.6 36 C 13 -0.2538 -0.1939 0.9476 0.92 -0.3509 0.1746 0.2986 0.9161 0.2675 -0.0051 -0.0032 0.0084 -2.742 -1.729 4.471 -0.978 -0.617 1.595 -0.915 -0.577 1.491 37 H 1 0.0926 0.864 -0.4949 0.9878 -0.1422 -0.0635 0.1253 0.4829 0.8666 -0.0051 -0.0033 0.0084 -2.737 -1.742 4.48 -0.977 -0.622 1.598 -0.913 -0.581 1.494 38 H 1 -0.2141 -0.571 0.7925 0.9036 0.1924 0.3828 -0.3711 0.7981 0.4748 -0.0047 -0.0022 0.0069 -2.497 -1.159 3.657 -0.891 -0.414 1.305 -0.833 -0.387 1.22 39 H 1 0.7162 -0.6823 0.1467 0.1395 0.346 0.9278 0.6838 0.644 -0.343 -0.0073 -0.0063 0.0136 -0.977 -0.847 1.824 -0.349 -0.302 0.651 -0.326 -0.283 0.609 40 C 13 0.4235 0.5627 0.7099 0.8504 -0.5171 -0.0975 -0.3123 -0.645 0.6975 -0.0051 -0.0033 0.0085 -2.726 -1.785 4.512 -0.973 -0.637 1.61 -0.909 -0.596 1.505 41 H 1 -0.1773 0.0775 0.9811 0.8927 -0.4069 0.1935 0.4142 0.9102 0.003 -0.0051 -0.0033 0.0085 -2.737 -1.779 4.516 -0.977 -0.635 1.612 -0.913 -0.593 1.506 42 H 1 0.1358 0.3505 0.9267 -0.5124 0.8253 -0.2371 0.8479 0.4427 -0.2917 -0.0047 -0.0022 0.0069 -2.496 -1.193 3.689 -0.891 -0.426 1.316 -0.833 -0.398 1.231 43 H 1 5.50638048e-01 2.20557164e+00 -4.83929691e-03 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 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 1 1 1 6 1 1 1 6 1 1 1 53 -0.000004665 -0.000009817 -0.000004339 0.000003053 0.000003684 0.000001304 -0.004518571 0.001603495 -0.000004788 0.000006561 0.000007840 0.000001337 0.000003343 0.000003977 0.000000211 -0.000010804 0.000002955 -0.000000344 -0.000015944 0.000001807 0.000001874 -0.000001167 0.000000670 0.000008889 -0.000002519 -0.000004676 -0.000003119 0.000002728 0.000005861 -0.000000257 0.000001127 -0.000004638 0.000000950 0.000000497 -0.000001512 -0.000004051 0.000000649 0.000000145 0.000000466 -0.000000710 -0.000000460 -0.000000301 0.000003457 0.000006333 0.000001460 -0.000002533 -0.000004073 0.000002889 -0.000002212 -0.000001399 -0.000005867 0.000002230 -0.000009237 -0.000005400 0.000000482 -0.000000685 0.000001670 -0.000000988 -0.000000248 0.000000266 0.000000739 -0.000000064 -0.000000465 0.000000810 0.000003291 0.000007650 -0.000008029 0.000003029 -0.000010694 0.000003596 0.000006236 0.000009148 -0.000000082 0.000001143 -0.000000655 0.000001007 -0.000000242 -0.000000659 0.000008820 0.000002763 0.000006428 -0.000004483 -0.000004722 -0.000003668 0.000000758 -0.000003041 -0.000010231 -0.000005036 -0.000006093 0.000005295 -0.007177895 0.002743814 -0.000005018 -0.000001510 0.000000837 -0.000000676 0.000000270 0.000000204 0.000000028 0.000000397 0.000000902 0.000000038 0.000000630 0.000000658 -0.000000055 -0.000000856 0.000001655 0.000000636 0.000000734 0.000000156 0.000000023 0.000000377 0.000000425 0.000000059 0.000000520 0.000000389 -0.000000211 -0.000002664 0.000001344 -0.000000056 0.000000388 0.000000295 0.000000358 -0.000000080 0.000000368 -0.000000119 0.000000453 0.000000347 -0.000000082 0.011717121 -0.004353717 0.000010076 0.011717121 0.001343580 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l716.exe) 0.8161 0.8161 0.8166 0.8166 0.8166 open 1 1 1 -1313.19576609310 -1313.19576966462 -0.000003571518 -1313.19576984994 -0.000000185318 -1313.19576985196 -0.000000002022 -1313.19576985261 -0.000000000654 -1313.19576985261 0.000000000004 -1313.19576985 6 0.8166 1.118120457771e+03 -7.845964830961e+03 2.986006047870e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572385518 LenY= 1572151746 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. 0.8166 (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 43 44 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 H H H C H H H C 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 1 1 1 13 1 1 1 13 1 1 1 127 -0.00964 0.02288 0.05369 0.01073 0.01073 -0.02622 -0.02622 -0.00941 0.01102 -0.01005 0.01406 0.00046 -0.00087 0.00047 -0.01004 0.01102 -0.00941 0.01406 0.00046 0.00047 -0.00087 -0.02533 -0.00064 -0.00064 -0.00019 -0.00019 0.01392 -0.00072 0.01392 -0.00072 0.21080 -0.01856 0.01199 0.00211 0.00215 -0.01858 0.00212 0.00211 0.01194 -0.01856 0.00214 0.00212 0.01199 0.00028 -10.83915 -13.86848 77.00624 12.06193 12.06334 -29.47915 -29.47855 -10.57964 12.39191 -11.29338 4.54348 2.04008 -3.90211 2.11967 -11.29242 12.39032 -10.57864 4.54231 2.03984 2.11960 -3.90158 -28.47837 -0.71692 -0.71742 -0.83775 -0.83759 4.49778 -3.22702 4.49764 -3.22692 236.97772 -20.86574 53.58615 9.45324 9.59197 -20.89304 9.45577 9.45334 53.38579 -20.86221 9.58150 9.45763 53.57760 0.25096 -3.86768 -4.94862 27.47774 4.30400 4.30450 -10.51889 -10.51868 -3.77508 4.42174 -4.02976 1.62123 0.72795 -1.39237 0.75635 -4.02942 4.42117 -3.77472 1.62081 0.72787 0.75633 -1.39218 -10.16179 -0.25581 -0.25599 -0.29893 -0.29887 1.60492 -1.15148 1.60487 -1.15145 84.55954 -7.44542 19.12087 3.37315 3.42265 -7.45516 3.37405 3.37319 19.04938 -7.44415 3.41892 3.37472 19.11782 0.08955 -3.61555 -4.62603 25.68652 4.02343 4.02390 -9.83318 -9.83299 -3.52899 4.13350 -3.76707 1.51554 0.68050 -1.30160 0.70705 -3.76675 4.13297 -3.52865 1.51515 0.68042 0.70702 -1.30143 -9.49936 -0.23914 -0.23931 -0.27944 -0.27939 1.50030 -1.07642 1.50025 -1.07639 79.04726 -6.96006 17.87442 3.15326 3.19954 -6.96917 3.15410 3.15329 17.80758 -6.95888 3.19605 3.15473 17.87156 0.08371 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 -0.008166 0.193528 0.150147 0.041091 0.041091 -0.031752 -0.031734 -0.023905 0.045574 -0.027160 0.069743 -0.001176 -0.000246 -0.000544 -0.027164 0.045573 -0.023906 0.069741 -0.001176 -0.000545 -0.000248 -0.012541 0.010861 0.010859 -0.000781 -0.000781 0.095889 -0.002412 0.095878 -0.002412 0.537492 -0.001004 0.003012 -0.002608 -0.004680 -0.008433 -0.003130 -0.003000 -0.001747 -0.001903 -0.004804 -0.002867 0.002491 -0.067721 0.008213 -0.071371 -0.059636 -0.009625 -0.009639 0.013776 0.013776 0.005697 -0.016535 0.008793 -0.024107 -0.001756 -0.002508 0.000133 0.008791 -0.016516 0.005690 -0.024079 -0.001754 0.000138 -0.002497 0.003803 -0.004157 -0.004155 0.001031 0.001036 -0.043864 -0.001136 -0.043862 -0.001142 -0.206869 -0.005262 -0.004184 0.003530 -0.005228 0.016030 0.006167 0.007506 0.007441 -0.006519 -0.005661 0.001762 -0.004730 0.027212 -0.000047 -0.122157 -0.090511 -0.031465 -0.031452 0.017977 0.017958 0.018207 -0.029040 0.018367 -0.045636 0.002931 0.002754 0.000411 0.018373 -0.029057 0.018216 -0.045662 0.002931 0.000407 0.002744 0.008738 -0.006704 -0.006703 -0.000250 -0.000255 -0.052025 0.003548 -0.052016 0.003554 -0.330623 0.006266 0.001172 -0.000922 0.009908 -0.007597 -0.003037 -0.004507 -0.005694 0.008421 0.010465 0.001105 0.002238 0.040509 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 0.007060 -0.126191 -0.085666 -0.040293 -0.040290 0.013426 0.013411 0.018896 -0.034657 0.021472 -0.056930 0.000063 -0.000675 0.000753 0.021482 -0.034665 0.018902 -0.056942 0.000064 0.000754 -0.000673 0.020182 -0.002875 -0.002874 0.000178 0.000177 -0.028141 0.000369 -0.028131 0.000369 -0.327638 0.004940 0.000919 0.003842 -0.000550 -0.001374 0.003518 0.003931 -0.003266 0.003472 -0.000807 0.003166 0.000113 0.038935 -0.000008 0.000174 0.000122 -0.004653 0.004754 0.007227 -0.007269 -0.004572 0.006711 -0.007168 0.014041 -0.000718 -0.001897 -0.001147 0.007109 -0.006615 0.004519 -0.013885 0.000716 0.001145 0.001896 -0.000021 -0.000294 0.000307 -0.000230 0.000230 -0.007939 0.000819 0.008047 -0.000822 0.000269 0.010396 0.005938 0.002817 0.001889 0.000101 -0.001635 0.001175 0.000108 -0.010500 -0.001151 -0.003102 -0.006040 -0.000041 -0.000005 -0.000070 -0.000043 0.004023 -0.004079 -0.001943 0.001953 0.001824 -0.004796 0.000407 -0.006917 -0.000450 -0.003260 -0.001655 -0.000380 0.004757 -0.001794 0.006850 0.000457 0.001656 0.003268 0.000008 -0.000187 0.000182 -0.001566 0.001564 0.000105 0.002014 -0.000130 -0.002006 -0.000103 0.005981 0.002649 0.007253 0.002754 -0.001363 -0.006388 0.004970 -0.000703 -0.004598 -0.000874 -0.007706 -0.001944 0.000014 0.9374 -0.3483 6.0E-4 -3.0E-4 8.0E-4 1.0 0.3483 0.9374 -7.0E-4 -0.0108 -0.0 0.0108 -1.448 -0.006 1.454 -0.517 -0.002 0.519 -0.483 -0.002 0.485 1 C 13 -2.0E-4 8.0E-4 1.0 0.3715 0.9284 -7.0E-4 0.9284 -0.3715 5.0E-4 -0.1222 -0.1219 0.244 8.839 8.818 -17.657 3.154 3.146 -6.3 2.948 2.941 -5.89 2 O 17 -8.0E-4 -0.001 1.0 0.3358 0.9419 0.0012 0.9419 -0.3358 5.0E-4 -0.0905 -0.0902 0.1807 -15.497 -15.439 30.936 -5.53 -5.509 11.039 -5.169 -5.15 10.319 3 B 11 -0.3056 -0.6439 0.7015 0.3796 0.5933 0.7099 0.8732 -0.4832 -0.0631 -0.0331 -0.0306 0.0637 -4.446 -4.105 8.551 -1.586 -1.465 3.051 -1.483 -1.369 2.852 4 C 13 0.3052 0.645 0.7005 -0.3799 -0.5921 0.7107 0.8732 -0.4831 0.0643 -0.0331 -0.0306 0.0637 -4.446 -4.106 8.552 -1.587 -1.465 3.052 -1.483 -1.369 2.853 5 C 13 0.9557 -0.2608 -0.1362 0.2609 0.9652 -0.0176 0.1361 -0.0187 0.9905 -0.0364 0.0174 0.019 -4.891 2.34 2.55 -1.745 0.835 0.91 -1.631 0.781 0.851 6 C 13 0.9557 -0.2606 0.1371 0.2607 0.9653 0.0179 -0.137 0.0187 0.9904 -0.0364 0.0174 0.019 -4.889 2.339 2.55 -1.745 0.835 0.91 -1.631 0.78 0.85 7 C 13 0.8954 -0.4352 0.0944 0.4273 0.8993 0.0936 -0.1256 -0.0435 0.9911 -0.0336 0.0149 0.0187 -4.505 1.995 2.51 -1.608 0.712 0.896 -1.503 0.665 0.837 8 C 13 0.3247 0.8246 0.4632 -0.262 -0.3922 0.8818 0.9088 -0.4076 0.0887 -0.0329 -0.0289 0.0618 -4.411 -3.878 8.29 -1.574 -1.384 2.958 -1.471 -1.294 2.765 9 C 13 0.9021 -0.4152 0.1178 0.2318 0.6963 0.6793 -0.364 -0.5855 0.7243 -0.038 0.0163 0.0216 -5.096 2.192 2.904 -1.818 0.782 1.036 -1.7 0.731 0.969 10 C 13 0.4185 0.9053 0.0722 -0.1285 -0.0197 0.9915 0.8991 -0.4243 0.1081 -0.051 -0.0473 0.0983 -1.966 -1.825 3.791 -0.702 -0.651 1.353 -0.656 -0.609 1.265 11 N 14 0.0099 0.9953 0.0961 0.986 -0.0258 0.1647 -0.1664 -0.0931 0.9816 -0.0018 -0.0013 0.0031 -0.96 -0.692 1.652 -0.342 -0.247 0.589 -0.32 -0.231 0.551 12 H 1 0.3289 0.828 0.4541 0.9 -0.4205 0.1149 -0.2861 -0.3709 0.8835 -0.0046 -2.0E-4 0.0047 -2.435 -0.092 2.527 -0.869 -0.033 0.902 -0.812 -0.031 0.843 13 H 1 0.4534 0.522 0.7225 0.7944 -0.6042 -0.062 -0.4042 -0.6021 0.6886 -0.0015 -0.001 0.0025 -0.802 -0.548 1.351 -0.286 -0.196 0.482 -0.268 -0.183 0.451 14 H 1 0.9021 -0.4154 -0.1166 0.2321 0.6952 -0.6803 0.3636 0.5867 0.7236 -0.038 0.0163 0.0216 -5.096 2.192 2.904 -1.818 0.782 1.036 -1.7 0.731 0.969 15 C 13 0.3249 0.8239 -0.4644 0.2615 0.3936 0.8813 0.9089 -0.4078 -0.0876 -0.0329 -0.0289 0.0618 -4.411 -3.877 8.288 -1.574 -1.384 2.957 -1.471 -1.293 2.765 16 C 13 0.8954 -0.4354 -0.0932 0.4273 0.8991 -0.0948 0.1251 0.0451 0.9911 -0.0336 0.0149 0.0187 -4.504 1.994 2.51 -1.607 0.712 0.896 -1.503 0.665 0.837 17 C 13 0.4186 0.9052 -0.0734 0.128 0.0212 0.9916 0.8991 -0.4244 -0.1069 -0.051 -0.0473 0.0983 -1.966 -1.825 3.79 -0.701 -0.651 1.352 -0.656 -0.609 1.264 18 N 14 0.0098 0.9952 -0.0977 0.9861 -0.0258 -0.1642 0.1659 0.0948 0.9816 -0.0018 -0.0013 0.0031 -0.96 -0.692 1.652 -0.342 -0.247 0.589 -0.32 -0.231 0.551 19 H 1 -0.4535 -0.5209 0.7232 0.7945 -0.604 0.0632 0.4039 0.6032 0.6878 -0.0015 -0.001 0.0025 -0.802 -0.548 1.351 -0.286 -0.196 0.482 -0.268 -0.183 0.45 20 H 1 0.3291 0.8273 -0.4553 0.9 -0.4207 -0.1138 0.2857 0.3724 0.883 -0.0046 -2.0E-4 0.0047 -2.435 -0.092 2.527 -0.869 -0.033 0.902 -0.812 -0.031 0.843 21 H 1 0.8293 -0.5589 6.0E-4 -2.0E-4 8.0E-4 1.0 0.5589 0.8293 -6.0E-4 -0.0261 0.0087 0.0174 -3.508 1.173 2.336 -1.252 0.418 0.833 -1.17 0.391 0.779 22 C 13 0.0347 0.111 0.9932 0.1788 0.9771 -0.1154 0.9833 -0.1816 -0.0141 -0.0067 -0.0047 0.0114 -0.904 -0.625 1.529 -0.323 -0.223 0.546 -0.301 -0.209 0.51 23 C 13 -0.0352 -0.1094 0.9934 0.1788 0.9773 0.1139 0.9833 -0.1816 0.0148 -0.0067 -0.0047 0.0114 -0.904 -0.625 1.529 -0.322 -0.223 0.546 -0.301 -0.209 0.51 24 C 13 0.1764 0.5368 0.8251 0.9797 -0.1768 -0.0945 0.0951 0.825 -0.5571 -0.0013 -8.0E-4 0.0021 -0.703 -0.422 1.125 -0.251 -0.151 0.401 -0.234 -0.141 0.375 25 H 1 -0.1768 -0.5354 0.8259 0.9797 -0.1766 0.0952 0.0949 0.8259 0.5558 -0.0013 -8.0E-4 0.0021 -0.703 -0.422 1.125 -0.251 -0.151 0.401 -0.234 -0.141 0.375 26 H 1 0.1148 0.3442 0.9319 0.1592 0.9196 -0.3593 0.9806 -0.1896 -0.0508 -0.053 -0.0488 0.1017 -2.043 -1.881 3.924 -0.729 -0.671 1.4 -0.681 -0.627 1.309 27 N 14 0.9873 -0.1315 -0.0893 0.0913 0.929 -0.3586 0.1301 0.3459 0.9292 -0.0025 -0.0019 0.0044 -1.353 -1.001 2.354 -0.483 -0.357 0.84 -0.451 -0.334 0.785 28 H 1 -0.1152 -0.3427 0.9324 0.159 0.9201 0.3578 0.9805 -0.1895 0.0515 -0.053 -0.0488 0.1017 -2.043 -1.881 3.924 -0.729 -0.671 1.4 -0.681 -0.627 1.309 29 N 14 0.9872 -0.1319 0.0898 0.0917 0.9295 0.3572 -0.1306 -0.3444 0.9297 -0.0025 -0.0019 0.0044 -1.353 -1.001 2.354 -0.483 -0.357 0.84 -0.451 -0.334 0.785 30 H 1 0.0051 0.0144 0.9999 0.3531 0.9355 -0.0153 0.9356 -0.3531 3.0E-4 -0.3306 -0.3305 0.6612 -44.366 -44.355 88.721 -15.831 -15.827 31.658 -14.799 -14.795 29.594 31 C 13 0.7723 -0.5519 -0.3145 0.3155 0.7631 -0.5641 0.5513 0.3364 0.7635 -0.0088 -0.0076 0.0164 -1.176 -1.025 2.202 -0.42 -0.366 0.786 -0.392 -0.342 0.734 32 C 13 0.2943 0.7793 -0.5533 0.615 -0.5975 -0.5145 0.7316 0.1888 0.6551 -0.0057 -0.0028 0.0086 -3.051 -1.52 4.571 -1.089 -0.542 1.631 -1.018 -0.507 1.525 33 H 1 0.0083 -0.5965 0.8026 0.9407 -0.2675 -0.2086 0.3391 0.7568 0.5589 -0.0063 -0.0043 0.0106 -3.352 -2.308 5.66 -1.196 -0.824 2.02 -1.118 -0.77 1.888 34 H 1 0.5295 0.8238 -0.2022 0.8404 -0.5419 -0.0067 0.1151 0.1664 0.9793 -0.0063 -0.0043 0.0106 -3.339 -2.316 5.655 -1.191 -0.826 2.018 -1.114 -0.773 1.886 35 H 1 0.9981 0.0542 -0.0297 0.0265 0.0589 0.9979 -0.0559 0.9968 -0.0573 -0.0085 -0.0077 0.0162 -1.142 -1.03 2.172 -0.407 -0.368 0.775 -0.381 -0.344 0.724 36 C 13 -0.0662 0.4692 0.8806 0.9598 -0.2114 0.1848 0.2729 0.8574 -0.4364 -0.0063 -0.0042 0.0105 -3.371 -2.252 5.622 -1.203 -0.803 2.006 -1.124 -0.751 1.875 37 H 1 0.1004 -0.3617 0.9269 0.9518 -0.2364 -0.1953 0.2897 0.9018 0.3206 -0.0063 -0.0042 0.0105 -3.372 -2.25 5.621 -1.203 -0.803 2.006 -1.125 -0.75 1.875 38 H 1 0.0209 0.0585 0.9981 0.9527 0.3017 -0.0376 -0.3033 0.9516 -0.0494 -0.0057 -0.0028 0.0085 -3.059 -1.486 4.545 -1.091 -0.53 1.622 -1.02 -0.496 1.516 39 H 1 0.7853 -0.5161 0.3419 0.3405 0.8213 0.4577 -0.517 -0.243 0.8207 -0.0088 -0.0076 0.0164 -1.175 -1.025 2.2 -0.419 -0.366 0.785 -0.392 -0.342 0.734 40 C 13 0.5327 0.8425 0.0807 0.8433 -0.5364 0.0339 -0.0718 -0.05 0.9962 -0.0063 -0.0043 0.0106 -3.337 -2.314 5.651 -1.191 -0.826 2.017 -1.113 -0.772 1.885 41 H 1 0.0229 0.6869 0.7264 0.9496 -0.2421 0.199 0.3126 0.6852 -0.6579 -0.0063 -0.0043 0.0106 -3.351 -2.307 5.658 -1.196 -0.823 2.019 -1.118 -0.77 1.887 42 H 1 0.3153 0.8386 0.4442 0.6386 -0.5338 0.5544 -0.702 -0.1089 0.7038 -0.0057 -0.0028 0.0086 -3.05 -1.519 4.569 -1.088 -0.542 1.63 -1.017 -0.507 1.524 43 H 1 PT39425.300S 2024-09-26T03:24:33.000 -19.23237 -14.51824 -14.51822 -14.44459 -14.44458 -10.37731 -10.37252 -10.36193 -10.36133 -10.33930 -10.33930 -10.32275 -10.31775 -10.31774 -10.31516 -10.31516 -10.30595 -10.30595 -10.30114 -10.30107 -10.28475 -10.28460 -10.28280 -6.90591 -6.82560 -4.92617 -4.91421 -4.91394 -1.95982 -1.95655 -1.95631 -1.94606 -1.94606 -1.15963 -1.12172 -1.03593 -1.03537 -1.01658 -0.90277 -0.89882 -0.89475 -0.88749 -0.86855 -0.84413 -0.77271 -0.77163 -0.75896 -0.75557 -0.74192 -0.73819 -0.72021 -0.71808 -0.69776 -0.68464 -0.64046 -0.61784 -0.61680 -0.60936 -0.59339 -0.57992 -0.57134 -0.56622 -0.55867 -0.55625 -0.54703 -0.54574 -0.53309 -0.51973 -0.51933 -0.51575 -0.50574 -0.49557 -0.49142 -0.48731 -0.47906 -0.47571 -0.46665 -0.46466 -0.46356 -0.44103 -0.44036 -0.42572 -0.41728 -0.41706 -0.41620 -0.39526 -0.36930 -0.36169 -0.35055 -0.34762 -0.34095 -0.33107 -0.32567 -0.32198 -0.29268 -0.29114 -0.20964 -0.00602 0.02180 0.04925 0.05286 0.05953 0.08334 0.13430 0.13511 0.14101 0.15609 0.15892 0.17320 0.17451 0.18851 0.19554 0.19672 0.19850 0.20424 0.20959 0.20962 0.21216 0.21762 0.22661 0.22738 0.24235 0.24261 0.24635 0.24833 0.25779 0.26201 0.27728 0.28052 0.28191 0.28365 0.29536 0.30131 0.31688 0.32923 0.33412 0.33487 0.33644 0.34798 0.36060 0.36407 0.36646 0.37481 0.38368 0.39168 0.39443 0.39560 0.41870 0.42149 0.43582 0.45362 0.46327 0.47056 0.47523 0.48026 0.48323 0.48960 0.49014 0.49993 0.50596 0.52214 0.52264 0.52803 0.52851 0.53395 0.53888 0.54442 0.55040 0.55537 0.55756 0.56727 0.57183 0.57240 0.57857 0.59316 0.59916 0.60633 0.61427 0.61788 0.62381 0.62846 0.63109 0.64672 0.65848 0.65957 0.66415 0.66923 0.68500 0.68765 0.69957 0.70362 0.70859 0.71277 0.71881 0.72556 0.72623 0.72705 0.72950 0.73732 0.73918 0.74021 0.74863 0.75100 0.75291 0.75628 0.76537 0.77164 0.77246 0.77686 0.77972 0.78443 0.78812 0.79226 0.79809 0.80117 0.80419 0.80640 0.81125 0.81695 0.82097 0.82323 0.82945 0.83222 0.83383 0.83811 0.84015 0.84351 0.85480 0.85553 0.86152 0.87870 0.88227 0.88761 0.89795 0.91560 0.94244 0.95230 0.95330 0.95941 0.98636 1.00682 1.01005 1.02361 1.04027 1.04869 1.05542 1.05548 1.07514 1.08288 1.10431 1.13973 1.14588 1.15015 1.16058 1.16415 1.18327 1.19441 1.21350 1.21956 1.22284 1.22840 1.23061 1.23264 1.24818 1.25092 1.27245 1.27321 1.29302 1.30135 1.30659 1.32391 1.32514 1.33755 1.34847 1.36266 1.36508 1.36924 1.37845 1.38078 1.38479 1.39205 1.40322 1.41312 1.43240 1.43382 1.45172 1.46535 1.47707 1.52597 1.53178 1.55508 1.55684 1.55980 1.57201 1.59881 1.60416 1.61647 1.63104 1.63298 1.63599 1.65845 1.66975 1.67450 1.67665 1.67714 1.71091 1.73049 1.76409 1.78061 1.78213 1.78382 1.79329 1.79435 1.79601 1.81445 1.81864 1.82242 1.84139 1.84490 1.85058 1.85077 1.85458 1.85795 1.86008 1.87798 1.88058 1.88494 1.89037 1.89398 1.89487 1.91420 1.92567 1.92825 1.93078 1.94668 1.94768 1.95220 1.98000 1.98075 1.99520 1.99601 1.99937 2.00658 2.00772 2.01970 2.02191 2.02436 2.03482 2.03635 2.04854 2.06459 2.08239 2.08259 2.08502 2.10594 2.12623 2.13815 2.14064 2.15122 2.19013 2.19944 2.21078 2.21699 2.22645 2.23299 2.23865 2.25840 2.25918 2.26425 2.28915 2.29224 2.29245 2.31069 2.32825 2.34517 2.34705 2.37026 2.37457 2.38744 2.41382 2.43641 2.45203 2.45354 2.46795 2.46873 2.46945 2.46990 2.48914 2.50932 2.50999 2.51375 2.52490 2.53831 2.54146 2.55874 2.57317 2.59797 2.63360 2.63444 2.63632 2.66184 2.67473 2.68001 2.68425 2.69481 2.72887 2.72986 2.74199 2.75627 2.78628 2.80036 2.80980 2.81311 2.81464 2.81942 2.82984 2.83745 2.85939 2.86269 2.89973 2.90957 2.91446 2.93388 2.94437 2.97361 2.97478 2.97987 2.98943 3.00890 3.02479 3.02505 3.03347 3.05136 3.06878 3.11118 3.11491 3.13835 3.15296 3.15369 3.19213 3.20115 3.21036 3.24534 3.26808 3.38391 3.47225 3.47973 3.49210 3.61259 3.67321 3.72690 3.75736 3.76243 18.99694 19.00268 19.74281 56.69928 -19.23088 -14.51739 -14.51737 -14.44374 -14.44374 -10.37755 -10.37307 -10.36183 -10.36123 -10.33977 -10.33977 -10.31844 -10.31843 -10.31559 -10.31558 -10.31486 -10.30525 -10.30524 -10.30040 -10.30034 -10.28515 -10.28501 -10.28320 -6.90639 -6.82303 -4.92772 -4.91418 -4.91391 -1.96079 -1.95740 -1.95715 -1.94590 -1.94590 -1.15855 -1.11897 -1.03492 -1.03436 -1.01475 -0.90129 -0.89382 -0.88687 -0.88611 -0.86766 -0.84372 -0.77098 -0.76990 -0.75771 -0.75469 -0.74139 -0.73796 -0.71947 -0.71899 -0.69780 -0.68335 -0.63965 -0.61635 -0.60882 -0.60241 -0.59272 -0.57942 -0.56798 -0.56610 -0.55813 -0.55290 -0.54632 -0.54538 -0.52072 -0.51652 -0.51605 -0.51162 -0.50440 -0.49417 -0.49039 -0.48627 -0.47846 -0.47508 -0.46157 -0.46117 -0.46004 -0.44003 -0.43946 -0.41964 -0.41505 -0.41337 -0.41321 -0.38366 -0.36599 -0.35542 -0.34728 -0.34595 -0.33817 -0.32923 -0.32396 -0.30690 -0.29282 -0.29161 -0.02718 0.00527 0.05188 0.05647 0.05742 0.07357 0.08574 0.13532 0.13792 0.14069 0.15620 0.15906 0.17337 0.18291 0.19410 0.19563 0.19854 0.19865 0.20497 0.21008 0.21020 0.21818 0.21894 0.22796 0.23004 0.24249 0.24407 0.24754 0.25028 0.25853 0.26296 0.27794 0.28033 0.28465 0.29146 0.29497 0.30984 0.31817 0.33174 0.33454 0.34069 0.34101 0.34886 0.36041 0.36422 0.36679 0.37504 0.38400 0.39217 0.39426 0.39647 0.41895 0.42145 0.43593 0.45388 0.46395 0.47112 0.47556 0.48102 0.48647 0.48995 0.49075 0.50069 0.50707 0.52322 0.52421 0.52848 0.52872 0.53547 0.53864 0.54497 0.55045 0.55640 0.55844 0.56958 0.57304 0.57594 0.58006 0.59325 0.60407 0.60726 0.61518 0.62305 0.62450 0.62913 0.63100 0.64897 0.65908 0.66071 0.66517 0.66996 0.68678 0.68841 0.70108 0.70987 0.71325 0.71506 0.71909 0.72606 0.72717 0.72808 0.73008 0.73780 0.73993 0.74471 0.74983 0.75281 0.75443 0.75831 0.76599 0.77311 0.77716 0.77853 0.78107 0.78654 0.78946 0.79571 0.79879 0.80162 0.80471 0.80947 0.81224 0.81775 0.82284 0.82435 0.82965 0.83221 0.83489 0.83822 0.84169 0.84413 0.85541 0.85652 0.86221 0.87947 0.88202 0.88798 0.89841 0.91669 0.94400 0.95419 0.95492 0.96009 0.98976 1.00752 1.01125 1.02530 1.04234 1.05252 1.05596 1.05658 1.07555 1.09558 1.10495 1.14075 1.14763 1.15199 1.16189 1.16546 1.18711 1.19479 1.21530 1.22155 1.22459 1.23392 1.23443 1.23541 1.25115 1.25275 1.27416 1.27636 1.29539 1.30279 1.30866 1.32508 1.32625 1.33789 1.34896 1.36262 1.36812 1.36975 1.37965 1.38156 1.38681 1.39274 1.40422 1.41407 1.43479 1.43674 1.45230 1.46624 1.47915 1.52735 1.53303 1.56082 1.56285 1.56783 1.57269 1.60076 1.60611 1.61746 1.63251 1.63491 1.63797 1.66153 1.67018 1.67854 1.68339 1.68392 1.71225 1.73156 1.76699 1.78119 1.78218 1.79336 1.79526 1.79692 1.80285 1.81544 1.81941 1.82260 1.84381 1.84572 1.85508 1.85821 1.85845 1.85881 1.86066 1.87825 1.88092 1.88565 1.89156 1.89559 1.89640 1.92256 1.92889 1.93149 1.93204 1.94749 1.94935 1.95272 1.98005 1.98252 1.99665 1.99726 2.00198 2.00724 2.00788 2.02231 2.02296 2.02566 2.03549 2.03683 2.04896 2.06506 2.08277 2.08298 2.08530 2.10659 2.12686 2.13836 2.14172 2.15137 2.19113 2.20026 2.21281 2.22697 2.22880 2.23324 2.23976 2.26370 2.26415 2.26448 2.28876 2.30045 2.30071 2.31161 2.32885 2.34628 2.34740 2.37086 2.37513 2.38822 2.41509 2.43761 2.45300 2.45660 2.46900 2.47029 2.47050 2.47057 2.49019 2.51045 2.51097 2.51471 2.52516 2.53893 2.54277 2.55976 2.57545 2.59905 2.63740 2.64117 2.64196 2.66931 2.67580 2.68050 2.68593 2.69632 2.73065 2.73166 2.74325 2.75737 2.78648 2.80104 2.81392 2.81663 2.81824 2.82021 2.83115 2.83880 2.86276 2.86341 2.90121 2.91119 2.91482 2.93498 2.94559 2.97740 2.97864 2.98133 2.98940 3.01043 3.02830 3.02856 3.03499 3.05162 3.06889 3.11152 3.11528 3.13962 3.15528 3.15601 3.19293 3.20174 3.21093 3.24924 3.26881 3.38427 3.47291 3.48039 3.49263 3.61339 3.67359 3.72745 3.75895 3.76284 18.99706 19.00280 19.73892 56.69924 2-A. 2.31210961e-01 2.24986586e+00 -1.89714151e-03 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.5877 5.7186 -0.0048 5.7487 -166.8770 -148.3501 -144.8879 -6.2747 -0.0005 0.0028 -13.5054 5.0216 8.4838 -6.2747 -0.0005 0.0028 132.6434 140.9885 0.2225 46.8571 -9.5063 0.0225 -20.6002 0.3702 -0.3021 -0.1301 -5581.2526 -3156.0907 -3086.4806 -68.3104 -0.2647 -71.1446 0.5184 0.6369 -0.1907 -1617.7739 -1455.4845 -1045.3236 -0.4741 -0.4752 69.9846 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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)|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) 0 2-A -1313.1957699 0.816626 0. 0.751562 9.428E-9 6.189E-7 -10.1072725,3.8339164,6.2733561,-4.5147774,-0.6871476,-0.2703224 C01 [X(C18H19B1I1N4O1)] 0.2495305 2.2424926 0.1559486 0.000000266 0.000000040 -0.000003654 0.000000224 -0.000000243 -0.000000044 -0.000000216 -0.000000401 -0.000000017 0.000000606 0.000001234 0.000001106 -0.000000437 -0.000001765 0.000001036 0.000000001 0.000000352 0.000000817 0.000000061 -0.000000504 0.000000553 0.000000335 0.000000219 0.000000629 0.000000309 0.000000099 -0.000000143 -0.000000376 -0.000000620 0.000000424 0.000000027 0.000000154 -0.000000535 0.000000271 -0.000000261 -0.000000346 0.000000141 -0.000000215 -0.000000027 -0.000000009 -0.000000130 0.000000106 0.000000304 0.000000145 0.000000491 -0.000000133 -0.000000506 -0.000000279 -0.000000047 -0.000000690 0.000000522 -0.000000085 -0.000000371 -0.000000686 0.000000214 -0.000000219 -0.000000308 -0.000000119 -0.000000171 0.000000109 0.000000104 -0.000000250 -0.000000009 -0.000000322 -0.000000224 -0.000000896 -0.000000518 -0.000001956 -0.000000122 -0.000000194 0.000001854 -0.000000022 -0.000000485 -0.000000061 -0.000000009 -0.000000362 0.000000009 -0.000000008 -0.000000378 -0.000000044 -0.000000389 -0.000000162 0.000000938 0.000001165 -0.000000050 0.000000179 -0.000000188 -0.000000309 -0.000001094 0.000000890 -0.000000449 -0.000001161 -0.000000793 0.000000315 0.000000913 -0.000000881 0.000000032 0.000000469 -0.000000114 -0.000000136 0.000000385 0.000000060 0.000000032 0.000000324 -0.000000225 -0.000000201 -0.000000099 0.000000586 0.000000429 0.000000013 0.000000011 0.000000317 0.000000153 -0.000000043 0.000000317 0.000000258 -0.000000037 0.000000285 0.000001677 0.000000902 0.000000009 0.000000280 0.000000240 -0.000000016 0.000000428 -0.000000048 0.000000010 0.000000427 0.000000115 0.000000396 0.000000435 0.000000061 425.9342699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,11,18,27,29,2;32,36,40,31;44/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(16,17)(18,19);(1,2,3);/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;4.3;/rA:44nC3O1BC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHC3CHHHCHHHCHHHI0/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s23;s27;s22s24;s29;;s31;s32;s32;s32;s31;s36;s36;s36;s31;s40;s40;s40;;/rC:-2.4189,-1.8882,-.1857;-2.8957,-3.0054,-.2717;-.9936,.7104,.0218;-2.1174,-1.0937,-1.4175;-2.1776,-1.266,1.1537;-1.5482,-.0121,1.2937;-1.486,.1657,-1.3596;-2.6066,-1.9454,2.2967;-2.4221,-1.3543,3.5386;-1.8273,-.0897,3.5857;-1.4034,.5646,2.512;-3.0805,-2.9226,2.181;-2.7398,-1.8472,4.4587;-1.6921,.4146,4.5491;-1.6577,.3951,-3.652;-2.2502,-.8626,-3.8017;-2.4905,-1.6134,-2.6596;-1.2864,.8991,-2.4821;-2.9663,-2.5959,-2.6974;-1.4793,1.0228,-4.5323;-2.5231,-1.2275,-4.7931;-.7049,2.24,.131;-.2596,4.3552,-.4013;-.2915,4.264,.9606;-.0743,5.2075,-1.0468;-.1391,5.0221,1.7219;-.5219,3.0951,-.8843;-.6201,2.7217,-1.8403;-.5721,2.9515,1.2586;-.7134,2.4544,2.1507;3.8832,-1.0807,.0153;4.4773,-.5376,1.2895;5.5248,-.8861,1.3856;4.4914,.5623,1.2988;3.9288,-.8853,2.1772;3.6844,-2.5745,.0014;3.1372,-2.9232,.8895;3.1386,-2.9069,-.8937;4.6718,-3.0773,-.0024;4.4792,-.5143,-1.2479;3.9323,-.8459,-2.1427;4.493,.5855,-1.2372;5.5269,-.8609,-1.3486;1.4862,-.164,.0212; Gaussian 16 GINC-BERON01 GRUFOR coments ES64L-G16RevC.02 126 C1[X(C18H19BIN4O)] 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 0 0 425.9342699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,11,18,27,29,2;32,36,40,31;44/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(16,17)(18,19);(1,2,3);/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;4.3;/rA:44nC3O1BC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHC3CHHHCHHHCHHHI0/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s23;s27;s22s24;s29;;s31;s32;s32;s32;s31;s36;s36;s36;s31;s40;s40;s40;;/rC:-2.4189,-1.8882,-.1857;-2.8957,-3.0054,-.2717;-.9936,.7104,.0218;-2.1174,-1.0937,-1.4175;-2.1776,-1.266,1.1537;-1.5482,-.0121,1.2937;-1.486,.1657,-1.3596;-2.6066,-1.9454,2.2967;-2.4221,-1.3543,3.5386;-1.8273,-.0897,3.5857;-1.4034,.5646,2.512;-3.0805,-2.9226,2.181;-2.7398,-1.8472,4.4587;-1.6921,.4146,4.5491;-1.6577,.3951,-3.652;-2.2502,-.8626,-3.8017;-2.4905,-1.6134,-2.6596;-1.2864,.8991,-2.4821;-2.9663,-2.5959,-2.6974;-1.4793,1.0228,-4.5323;-2.5231,-1.2275,-4.7931;-.7049,2.24,.131;-.2596,4.3552,-.4013;-.2915,4.264,.9606;-.0743,5.2075,-1.0468;-.1391,5.0221,1.7219;-.5219,3.0951,-.8843;-.6201,2.7217,-1.8403;-.5721,2.9515,1.2586;-.7134,2.4544,2.1507;3.8832,-1.0807,.0153;4.4773,-.5376,1.2895;5.5248,-.8861,1.3856;4.4914,.5623,1.2988;3.9288,-.8853,2.1772;3.6844,-2.5745,.0014;3.1372,-2.9232,.8895;3.1386,-2.9069,-.8937;4.6718,-3.0773,-.0024;4.4792,-.5143,-1.2479;3.9323,-.8459,-2.1427;4.493,.5855,-1.2372;5.5269,-.8609,-1.3486;1.4862,-.164,.0212; 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 43 44 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 1 1 1 12 1 1 1 12 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 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 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 1 1 1 0 1 1 1 0 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 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 5830.0000000 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l101.exe) Structure from the checkpoint file: "18_TS_tBuI.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 1 1 1 3 3 3 3 4 4 5 5 6 7 8 8 9 9 10 10 15 15 15 16 16 17 22 22 23 23 23 24 24 27 29 31 31 31 31 32 32 32 36 36 36 40 40 40 2 4 5 6 7 22 44 7 17 6 8 11 18 9 12 10 13 11 14 16 18 20 17 21 19 27 29 24 25 27 26 29 28 30 32 36 40 44 33 34 35 37 38 39 41 42 43 1.2178 1.4964 1.4964 1.5644 1.5644 1.5604 2.6295 1.41 1.3972 1.41 1.3972 1.3556 1.3556 1.3878 1.0923 1.3982 1.0911 1.3269 1.0959 1.3982 1.3269 1.0958 1.3878 1.0911 1.0923 1.3399 1.3399 1.3652 1.0851 1.3748 1.0851 1.3748 1.031 1.031 1.5072 1.5071 1.5072 2.5663 1.1081 1.1 1.0999 1.0998 1.0998 1.1081 1.0999 1.1 1.1081 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 2 2 4 6 6 6 7 7 22 1 1 7 1 1 6 3 3 5 3 3 4 5 5 9 8 8 10 9 9 11 6 16 16 18 15 15 17 4 4 16 7 3 3 27 24 24 25 23 23 26 22 22 23 22 22 24 32 32 32 36 36 40 31 31 31 33 33 34 31 31 31 37 37 38 31 31 31 41 41 42 1 1 1 3 3 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 15 15 15 16 16 16 17 17 17 18 22 22 22 23 23 23 24 24 24 27 27 27 29 29 29 31 31 31 31 31 31 32 32 32 32 32 32 36 36 36 36 36 36 40 40 40 40 40 40 4 5 5 7 22 44 22 44 44 7 17 17 6 8 8 5 11 11 4 18 18 9 12 12 10 13 13 11 14 14 10 18 20 20 17 21 21 16 19 19 15 27 29 29 25 27 27 26 29 29 23 28 28 24 30 30 36 40 44 40 44 44 33 34 35 34 35 35 37 38 39 38 39 39 41 42 43 42 43 43 120.5181 120.5184 118.9166 116.4574 117.4754 100.4233 117.4751 100.4206 98.7142 122.0488 118.721 119.2252 122.049 118.7208 119.2252 119.2214 119.7602 121.0133 119.2215 119.7601 121.0133 118.9592 118.7915 122.2485 118.1558 121.5659 120.2738 123.6885 119.8828 116.4286 118.9006 123.6883 119.8829 116.4286 118.1558 120.2737 121.566 118.9593 118.7915 122.2485 118.9007 126.709 126.7095 106.575 130.5309 106.5456 122.9235 130.531 106.5456 122.9234 110.1655 117.2928 132.5215 110.1655 117.2934 132.5208 114.6403 114.6627 103.7418 114.6395 103.349 103.716 109.4281 111.8663 111.8303 107.5584 107.5749 108.4011 111.8665 111.8659 109.4047 108.331 107.5969 107.5951 111.8307 111.8671 109.4271 108.3948 107.5766 107.563 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A81 A82 3 3 44 44 31 31 21 21 -1 -2 179.227 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 181.5323 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 44 44 6 6 22 22 44 44 6 6 7 7 44 44 6 6 6 7 7 7 22 22 22 1 1 17 17 1 1 7 7 1 1 8 8 1 1 6 6 3 5 3 4 5 5 12 12 8 8 13 13 9 14 18 18 20 20 16 20 15 15 21 21 3 3 29 29 3 3 27 27 25 25 27 27 24 24 25 25 23 23 26 26 36 36 36 40 40 40 44 44 44 32 32 32 40 40 40 44 44 44 32 32 32 36 36 36 44 44 44 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 23 23 23 23 23 23 23 23 24 24 24 24 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 4 4 4 4 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 22 22 22 22 22 22 31 31 31 31 31 31 31 31 31 7 7 7 7 17 17 17 17 6 6 6 6 8 8 8 8 11 11 18 18 9 9 9 9 10 10 10 10 11 11 16 16 16 16 18 18 17 17 17 17 27 27 27 27 29 29 29 29 24 24 24 24 27 27 27 27 29 29 29 29 32 32 32 32 32 32 32 32 32 36 36 36 36 36 36 36 36 36 40 40 40 40 40 40 40 40 40 7 17 7 17 6 8 6 8 5 11 5 11 5 11 4 18 4 18 4 18 27 29 27 29 27 29 32 36 40 32 36 40 32 36 40 3 18 3 18 16 19 16 19 3 11 3 11 9 12 9 12 10 10 15 15 10 13 10 13 11 14 11 14 6 6 17 21 17 21 7 7 4 19 4 19 23 28 23 28 24 30 24 30 26 29 26 29 22 28 22 28 22 30 22 30 33 34 35 33 34 35 33 34 35 37 38 39 37 38 39 37 38 39 41 42 43 41 42 43 41 42 43 -175.7987 5.0227 6.6778 -172.5008 175.7985 -5.0238 -6.678 172.4997 14.8094 -166.0046 161.9117 -18.9023 -92.4661 86.7199 -14.8096 166.0062 -161.9121 18.9038 92.4675 -86.7167 -163.9068 17.1448 -17.1416 163.9099 89.4741 -89.4743 -63.6351 56.1636 175.9139 176.965 -63.2363 56.514 56.667 176.4657 -63.784 4.3489 -176.4775 -176.4765 2.6971 178.05 -1.6549 -1.1523 179.1429 -4.3485 176.476 176.4778 -2.6977 -178.0477 1.6566 1.1537 -179.142 -177.0624 2.1087 177.0596 -2.1096 0.8329 -179.9328 -178.8607 0.3736 -1.4902 178.3935 179.2652 -0.851 0.0024 -179.885 1.4896 -179.2658 -178.394 0.8505 -0.0009 179.8864 -0.8338 178.8604 179.9319 -0.3739 -178.5898 2.8424 0.5306 -178.0371 178.5898 -2.8438 -0.5307 178.0358 -0.0004 179.9277 -179.9282 -0.0001 -0.3308 177.9421 179.7346 -1.9925 0.331 -177.9404 -179.7341 1.9944 67.7222 -173.1842 -51.3695 -67.9475 51.1461 172.9609 179.6641 -61.2423 60.5725 51.2846 173.0344 -67.8419 -173.0354 -51.2856 67.8381 -60.8909 60.8589 179.9826 -172.972 -51.1645 67.9347 51.358 173.1655 -67.7353 -60.5683 61.2392 -179.6616 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. saddle point Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. -0.04215 0.00010 0.00241 0.00314 0.00316 0.00629 0.00782 0.00797 0.01211 0.01213 0.01292 0.01299 0.01534 0.01561 0.01754 0.01775 0.01824 0.01999 0.02060 0.02077 0.02204 0.02286 0.02301 0.02602 0.02764 0.02810 0.02973 0.02980 0.03107 0.03139 0.03747 0.03842 0.03961 0.03968 0.04026 0.04266 0.04272 0.04340 0.04425 0.04543 0.04549 0.04587 0.04724 0.04784 0.05528 0.05781 0.09456 0.09507 0.09574 0.09651 0.10428 0.10678 0.10682 0.11008 0.11382 0.11600 0.11692 0.11979 0.11985 0.12266 0.12393 0.13093 0.13256 0.14003 0.14018 0.14061 0.14381 0.14578 0.16045 0.16054 0.18991 0.19132 0.20191 0.20980 0.21471 0.21660 0.22182 0.23018 0.23553 0.24210 0.24731 0.25571 0.26639 0.28009 0.29589 0.30609 0.30624 0.32251 0.32707 0.32724 0.33173 0.33909 0.34457 0.34618 0.34649 0.34670 0.34678 0.34707 0.34870 0.35400 0.35528 0.36237 0.36714 0.36768 0.36848 0.36995 0.38433 0.38568 0.38742 0.40035 0.40219 0.43095 0.44579 0.45145 0.46265 0.46399 0.46956 0.48045 0.48694 0.50443 0.51752 0.51884 0.57341 0.57474 0.59951 0.86034 R38 R7 D18 D12 D11 1 0.74646 -0.56247 0.07574 -0.07572 -0.06852 D17 D22 D23 D21 D24 Angle between quadratic step and forces= 86.34 degrees. 1 2 0.00056936 0.00000019 0.00000011 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 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 2.30125 2.82783 2.82783 2.95636 2.95636 2.94880 4.96895 2.66454 2.64028 2.66455 2.64028 2.56169 2.56169 2.62249 2.06409 2.64225 2.06182 2.50747 2.07086 2.64225 2.50748 2.07086 2.62249 2.06182 2.06409 2.53207 2.53207 2.57994 2.05061 2.59798 2.05060 2.59798 1.94826 1.94825 2.84819 2.84803 2.84816 4.84951 2.09404 2.07872 2.07848 2.07841 2.07841 2.09395 2.07847 2.07869 2.09404 2.10344 2.10344 2.07549 2.03256 2.05033 1.75272 2.05033 1.75267 1.72289 2.13015 2.07207 2.08087 2.13016 2.07207 2.08087 2.08081 2.09021 2.11208 2.08081 2.09021 2.11208 2.07623 2.07330 2.13364 2.06221 2.12173 2.09917 2.15877 2.09235 2.03206 2.07521 2.15877 2.09235 2.03206 2.06221 2.09917 2.12173 2.07623 2.07330 2.13364 2.07521 2.21149 2.21150 1.86008 2.27819 1.85957 2.14542 2.27820 1.85957 2.14542 1.92275 2.04715 2.31294 1.92275 2.04716 2.31292 2.00085 2.00124 1.81064 2.00084 1.80378 1.81018 1.90988 1.95244 1.95181 1.87725 1.87754 1.89196 1.95244 1.95243 1.90947 1.89073 1.87792 1.87789 1.95181 1.95245 1.90986 1.89185 1.87757 1.87733 3.12810 3.16834 -3.06827 0.08766 0.11655 -3.01071 3.06826 -0.08768 -0.11655 3.01069 0.25847 -2.89733 2.82589 -0.32991 -1.61384 1.51355 -0.25848 2.89735 -2.82590 0.32993 1.61386 -1.51349 -2.86071 0.29923 -0.29918 2.86077 1.56162 -1.56162 -1.11064 0.98024 3.07028 3.08862 -1.10368 0.98635 0.98903 3.07991 -1.11324 0.07590 -3.08011 -3.08010 0.04707 3.10756 -0.02888 -0.02011 3.12663 -0.07590 3.08009 3.08012 -0.04708 -3.10752 0.02891 0.02014 -3.12662 -3.09032 0.03680 3.09027 -0.03682 0.01454 -3.14042 -3.12171 0.00652 -0.02601 3.11355 3.12877 -0.01485 0.00004 -3.13959 0.02600 -3.12878 -3.11356 0.01484 -0.00002 3.13961 -0.01455 3.12170 3.14040 -0.00653 -3.11698 0.04961 0.00926 -3.10733 3.11698 -0.04963 -0.00926 3.10731 -0.00001 3.14033 -3.14034 -0.00000 -0.00577 3.10568 3.13696 -0.03478 0.00578 -3.10565 -3.13695 0.03481 1.18197 -3.02263 -0.89657 -1.18591 0.89267 3.01874 3.13573 -1.06888 1.05719 0.89508 3.02002 -1.18406 -3.02004 -0.89510 1.18400 -1.06275 1.06219 3.14129 -3.01893 -0.89299 1.18568 0.89637 3.02231 -1.18220 -1.05712 1.06883 -3.13569 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00002 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -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 -0.00005 -0.00006 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 0.00001 0.00002 0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00079 -0.00076 -0.00076 -0.00079 -0.00077 -0.00077 -0.00078 -0.00075 -0.00075 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 -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 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00003 0.00003 0.00003 -0.00001 -0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00002 -0.00002 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00002 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -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 -0.00005 -0.00006 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 0.00001 0.00002 0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00079 -0.00076 -0.00076 -0.00079 -0.00077 -0.00077 -0.00078 -0.00075 -0.00075 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 -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 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00003 0.00003 0.00003 -0.00001 -0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00002 -0.00002 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 2.30125 2.82783 2.82784 2.95636 2.95636 2.94880 4.96894 2.66454 2.64028 2.66455 2.64028 2.56169 2.56169 2.62249 2.06409 2.64225 2.06182 2.50748 2.07086 2.64225 2.50748 2.07086 2.62249 2.06182 2.06409 2.53207 2.53207 2.57994 2.05061 2.59798 2.05060 2.59799 1.94825 1.94825 2.84819 2.84803 2.84816 4.84952 2.09404 2.07872 2.07848 2.07841 2.07841 2.09395 2.07846 2.07869 2.09404 2.10344 2.10344 2.07549 2.03257 2.05033 1.75273 2.05033 1.75266 1.72289 2.13016 2.07207 2.08087 2.13015 2.07207 2.08087 2.08081 2.09021 2.11208 2.08081 2.09021 2.11208 2.07623 2.07330 2.13364 2.06221 2.12173 2.09917 2.15877 2.09235 2.03206 2.07521 2.15877 2.09235 2.03206 2.06221 2.09917 2.12173 2.07623 2.07331 2.13364 2.07521 2.21149 2.21150 1.86008 2.27819 1.85957 2.14542 2.27820 1.85957 2.14542 1.92275 2.04715 2.31293 1.92275 2.04715 2.31293 2.00085 2.00123 1.81064 2.00085 1.80379 1.81017 1.90988 1.95244 1.95181 1.87725 1.87754 1.89196 1.95244 1.95243 1.90947 1.89073 1.87792 1.87789 1.95181 1.95245 1.90986 1.89185 1.87757 1.87733 3.12805 3.16828 -3.06827 0.08766 0.11655 -3.01071 3.06826 -0.08769 -0.11655 3.01068 0.25847 -2.89732 2.82589 -0.32991 -1.61384 1.51355 -0.25848 2.89736 -2.82590 0.32994 1.61387 -1.51347 -2.86071 0.29924 -0.29917 2.86078 1.56161 -1.56163 -1.11143 0.97948 3.06951 3.08783 -1.10445 0.98559 0.98825 3.07916 -1.11399 0.07590 -3.08012 -3.08009 0.04708 3.10756 -0.02888 -0.02011 3.12663 -0.07589 3.08008 3.08013 -0.04708 -3.10751 0.02892 0.02014 -3.12662 -3.09033 0.03680 3.09027 -0.03682 0.01454 -3.14042 -3.12171 0.00652 -0.02601 3.11356 3.12877 -0.01485 0.00004 -3.13959 0.02600 -3.12878 -3.11356 0.01485 -0.00001 3.13961 -0.01455 3.12170 3.14040 -0.00653 -3.11698 0.04961 0.00926 -3.10734 3.11698 -0.04964 -0.00926 3.10731 -0.00001 3.14033 -3.14034 -0.00000 -0.00578 3.10568 3.13696 -0.03477 0.00578 -3.10565 -3.13695 0.03481 1.18199 -3.02262 -0.89656 -1.18590 0.89268 3.01874 3.13576 -1.06885 1.05722 0.89507 3.02001 -1.18407 -3.02005 -0.89512 1.18398 -1.06277 1.06217 3.14127 -3.01893 -0.89299 1.18569 0.89637 3.02231 -1.18220 -1.05713 1.06882 -3.13570 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000002 0.000000 0.002562 0.000569 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -4.295230e-10 Optimization completed on the basis of negligible forces. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 1 1 1 3 3 3 3 4 4 5 5 6 7 8 8 9 9 10 10 15 15 15 16 16 17 22 22 23 23 23 24 24 27 29 31 31 31 31 32 32 32 36 36 36 40 40 40 2 4 5 6 7 22 44 7 17 6 8 11 18 9 12 10 13 11 14 16 18 20 17 21 19 27 29 24 25 27 26 29 28 30 32 36 40 44 33 34 35 37 38 39 41 42 43 1.2178 1.4964 1.4964 1.5644 1.5644 1.5604 2.6295 1.41 1.3972 1.41 1.3972 1.3556 1.3556 1.3878 1.0923 1.3982 1.0911 1.3269 1.0959 1.3982 1.3269 1.0958 1.3878 1.0911 1.0923 1.3399 1.3399 1.3652 1.0851 1.3748 1.0851 1.3748 1.031 1.031 1.5072 1.5071 1.5072 2.5663 1.1081 1.1 1.0999 1.0998 1.0998 1.1081 1.0999 1.1 1.1081 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 2 2 4 6 6 6 7 7 22 1 1 7 1 1 6 3 3 5 3 3 4 5 5 9 8 8 10 9 9 11 6 16 16 18 15 15 17 4 4 16 7 3 3 27 24 24 25 23 23 26 22 22 23 22 22 24 32 32 32 36 36 40 31 31 31 33 33 34 31 31 31 37 37 38 31 31 31 41 41 42 1 1 1 3 3 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 15 15 15 16 16 16 17 17 17 18 22 22 22 23 23 23 24 24 24 27 27 27 29 29 29 31 31 31 31 31 31 32 32 32 32 32 32 36 36 36 36 36 36 40 40 40 40 40 40 4 5 5 7 22 44 22 44 44 7 17 17 6 8 8 5 11 11 4 18 18 9 12 12 10 13 13 11 14 14 10 18 20 20 17 21 21 16 19 19 15 27 29 29 25 27 27 26 29 29 23 28 28 24 30 30 36 40 44 40 44 44 33 34 35 34 35 35 37 38 39 38 39 39 41 42 43 42 43 43 120.5181 120.5184 118.9166 116.4574 117.4754 100.4233 117.4751 100.4206 98.7142 122.0488 118.721 119.2252 122.049 118.7208 119.2252 119.2214 119.7602 121.0133 119.2215 119.7601 121.0133 118.9592 118.7915 122.2485 118.1558 121.5659 120.2738 123.6885 119.8828 116.4286 118.9006 123.6883 119.8829 116.4286 118.1558 120.2737 121.566 118.9593 118.7915 122.2485 118.9007 126.709 126.7095 106.575 130.5309 106.5456 122.9235 130.531 106.5456 122.9234 110.1655 117.2928 132.5215 110.1655 117.2934 132.5208 114.6403 114.6627 103.7418 114.6395 103.349 103.716 109.4281 111.8663 111.8303 107.5584 107.5749 108.4011 111.8665 111.8659 109.4047 108.331 107.5969 107.5951 111.8307 111.8671 109.4271 108.3948 107.5766 107.563 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A81 3 44 31 21 -1 179.227 -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 44 44 6 6 22 22 44 44 6 6 7 7 44 44 6 6 6 7 7 7 22 22 22 1 1 17 17 1 1 7 7 1 1 8 8 1 1 6 6 3 5 3 4 5 5 12 12 8 8 13 13 9 14 18 18 20 20 16 20 15 15 21 21 3 3 29 29 3 3 27 27 25 25 27 27 24 24 25 25 23 23 26 26 36 36 36 40 40 40 44 44 44 32 32 32 40 40 40 44 44 44 32 32 32 36 36 36 44 44 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 23 23 23 23 23 23 23 23 24 24 24 24 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 31 4 4 4 4 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 22 22 22 22 22 22 31 31 31 31 31 31 31 31 31 7 7 7 7 17 17 17 17 6 6 6 6 8 8 8 8 11 11 18 18 9 9 9 9 10 10 10 10 11 11 16 16 16 16 18 18 17 17 17 17 27 27 27 27 29 29 29 29 24 24 24 24 27 27 27 27 29 29 29 29 32 32 32 32 32 32 32 32 32 36 36 36 36 36 36 36 36 36 40 40 40 40 40 40 40 40 7 17 7 17 6 8 6 8 5 11 5 11 5 11 4 18 4 18 4 18 27 29 27 29 27 29 32 36 40 32 36 40 32 36 40 3 18 3 18 16 19 16 19 3 11 3 11 9 12 9 12 10 10 15 15 10 13 10 13 11 14 11 14 6 6 17 21 17 21 7 7 4 19 4 19 23 28 23 28 24 30 24 30 26 29 26 29 22 28 22 28 22 30 22 30 33 34 35 33 34 35 33 34 35 37 38 39 37 38 39 37 38 39 41 42 43 41 42 43 41 42 -175.7987 5.0227 6.6778 -172.5008 175.7985 -5.0238 -6.678 172.4997 14.8094 -166.0046 161.9117 -18.9023 -92.4661 86.7199 -14.8096 166.0062 -161.9121 18.9038 92.4675 -86.7167 -163.9068 17.1448 -17.1416 163.9099 89.4741 -89.4743 -63.6351 56.1636 175.9139 176.965 -63.2363 56.514 56.667 176.4657 -63.784 4.3489 -176.4775 -176.4765 2.6971 178.05 -1.6549 -1.1523 179.1429 -4.3485 176.476 176.4778 -2.6977 -178.0477 1.6566 1.1537 -179.142 -177.0624 2.1087 177.0596 -2.1096 0.8329 -179.9328 -178.8607 0.3736 -1.4902 178.3935 179.2652 -0.851 0.0024 -179.885 1.4896 -179.2658 -178.394 0.8505 -0.0009 179.8864 -0.8338 178.8604 179.9319 -0.3739 -178.5898 2.8424 0.5306 -178.0371 178.5898 -2.8438 -0.5307 178.0358 -0.0004 179.9277 -179.9282 -0.0001 -0.3308 177.9421 179.7346 -1.9925 0.331 -177.9404 -179.7341 1.9944 67.7222 -173.1842 -51.3695 -67.9475 51.1461 172.9609 179.6641 -61.2423 60.5725 51.2846 173.0344 -67.8419 -173.0354 -51.2856 67.8381 -60.8909 60.8589 179.9826 -172.972 -51.1645 67.9347 51.358 173.1655 -67.7353 -60.5683 61.2392 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 483 A 457 A 457 800 483 97 96 2428.6776308853 44 44 44 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 -0.0350754177 0.000000 1.217768 0.000000 2.971083 4.184690 0.000000 1.496425 2.360723 2.566980 0.000000 1.496424 2.360726 2.566977 2.577621 0.000000 2.542977 3.636847 1.564437 2.974008 1.410017 0.000000 2.542975 3.636843 1.564441 1.410016 2.974004 2.660036 0.000000 2.490137 2.793561 3.851037 3.841832 1.397175 2.421563 4.368184 0.000000 3.762414 4.179639 4.321124 4.972300 2.399083 2.757701 5.213400 1.387760 0.000000 4.219893 4.951964 3.746571 5.111120 2.724111 2.310173 4.963631 2.390004 1.398218 0.000000 3.784818 4.766648 2.527930 4.324411 2.407368 1.355589 3.892985 2.791784 2.402884 1.326898 0.000000 2.666280 2.461045 4.713474 4.149866 2.148290 3.406890 4.961469 1.092268 2.176367 3.401328 3.883714 0.000000 4.655632 4.872610 5.410847 5.956874 3.402492 3.847702 6.283040 2.168307 1.091070 2.164164 3.375294 2.541753 0.000000 5.315026 6.032035 4.590508 6.168984 3.819564 3.286402 5.917605 3.388079 2.163957 1.095851 2.062988 4.321198 2.494296 0.000000 4.219897 4.951964 3.746572 2.724112 5.111123 4.963637 2.310174 6.462556 7.439704 7.255829 6.171521 6.859650 8.484184 8.201207 0.000000 3.762418 4.179639 4.321125 2.399084 4.972304 5.213406 2.757700 6.204032 7.358798 7.439703 6.528123 6.381687 8.333261 8.466349 1.398217 0.000000 2.490141 2.793560 3.851039 1.397175 3.841835 4.368188 2.421561 4.968763 6.204030 6.462554 5.715824 5.049114 7.126485 7.530998 2.390004 1.387761 0.000000 3.784815 4.766643 2.527930 2.407365 4.324407 3.892984 1.355587 5.715819 6.528116 6.171514 5.006592 6.290365 7.604516 7.059544 1.326899 2.402882 2.791781 0.000000 2.666285 2.461045 4.713477 2.148290 4.149870 4.961475 3.406888 5.049115 6.381685 6.859648 6.290372 4.890655 7.198700 7.949748 3.401328 2.176367 1.092268 3.883711 0.000000 5.315029 6.032035 4.590506 3.819565 6.168987 5.917609 3.286401 7.531001 8.466350 8.201207 7.059550 7.949751 9.521735 9.104254 1.095850 2.163957 3.388079 2.062989 4.321199 0.000000 4.655637 4.872610 5.410847 3.402493 5.956879 6.283047 3.847702 7.126490 8.333263 8.484186 7.604524 7.198705 9.274996 9.521735 2.164163 1.091070 2.168309 3.375293 2.541754 2.494297 0.000000 4.481098 5.698821 1.560437 3.937890 3.937890 2.671145 2.671144 5.081786 5.242134 4.315382 2.994019 6.041478 6.290922 4.881313 4.315383 5.242135 5.081786 2.994017 6.041478 4.881314 6.290923 0.000000 6.609741 7.819491 3.741930 5.845944 6.139561 4.858630 4.469295 7.244628 7.266161 6.173385 4.915670 8.221467 8.260784 6.487469 5.310797 6.538377 6.760246 4.162747 7.804835 5.445874 7.455048 2.226093 0.000000 6.609753 7.819503 3.741933 6.139566 5.845961 4.469312 4.858629 6.760268 6.538400 5.310819 4.162768 7.804857 7.455071 5.445897 6.173383 7.266161 7.244631 4.915663 8.221472 6.487463 8.260785 2.226094 1.365246 0.000000 7.522475 8.718578 4.712837 6.634588 7.153483 5.907148 5.245099 8.291900 8.342386 7.252150 5.999007 9.249629 9.337280 7.543500 5.696853 7.012135 7.413775 4.700166 8.484155 5.624438 7.838416 3.254357 1.085134 2.228656 0.000000 7.522494 8.718601 4.712841 7.153494 6.634614 5.245121 5.907150 7.413810 7.012171 5.696886 4.700194 8.484191 7.838455 5.624473 7.252152 8.342392 8.291909 5.999002 9.249642 7.543498 9.337287 3.254356 2.228657 1.085133 2.775613 0.000000 5.377666 6.574651 2.594214 4.513978 5.090525 3.930807 3.120374 6.314332 6.555124 5.641597 4.326082 7.221864 7.608735 6.170646 4.029901 5.211614 5.403378 2.821245 6.453590 4.303304 6.161786 1.339913 1.374794 2.196128 2.165469 3.263743 0.000000 5.217749 6.359201 2.766252 4.120536 5.224157 4.261121 2.741241 6.545466 6.985277 6.229193 4.920277 7.354164 8.065108 6.877304 3.126093 4.399059 4.791993 2.043979 5.875060 3.297182 5.285541 2.031043 2.206554 3.214219 2.665823 4.267525 1.030974 0.000000 5.377688 6.574674 2.594220 5.090542 4.514002 3.120396 3.930816 5.403407 5.211641 4.029925 2.821269 6.453619 6.161814 4.303326 5.641607 6.555138 6.314348 4.326085 7.221883 6.170652 7.608750 1.339913 2.196127 1.374794 3.263742 2.165467 2.148269 3.107745 0.000000 5.217798 6.359253 2.766272 5.224199 4.120589 2.741288 4.261149 4.792052 4.399115 3.126143 2.044029 5.875119 5.285595 3.297223 6.229221 6.985313 6.545507 4.920294 7.354211 6.877325 8.065146 2.031046 3.214212 2.206545 4.267517 2.665809 3.107745 4.000977 1.030970 0.000000 6.356820 7.052637 5.195256 6.169271 6.169560 5.681169 5.680849 6.933215 7.228120 6.807280 6.073562 7.521741 8.012205 7.339993 6.806482 7.227361 6.932700 6.072968 7.521282 7.339043 8.011331 5.664838 6.847243 6.847354 7.505391 7.505593 6.136034 6.179033 6.136231 6.179421 0.000000 7.180444 7.930228 5.752857 7.150349 6.696053 6.048345 6.563079 7.292314 7.302586 6.724655 6.106709 7.975244 7.990351 7.042273 7.932658 8.443054 8.081040 7.036303 8.691341 8.474077 9.299406 5.992682 7.016869 6.775273 7.692967 7.239287 6.550883 6.811903 6.137659 6.052870 1.507197 0.000000 8.159427 8.839820 6.848226 8.142712 7.715263 7.127346 7.602258 8.250537 8.246710 7.715419 7.167496 8.878742 8.869681 7.986454 8.866093 9.346602 9.007641 8.033597 9.575649 9.366087 10.151877 7.082051 8.007720 7.780285 8.625475 8.191372 7.587174 7.821907 7.205210 7.117557 2.147239 1.108118 0.000000 7.480701 8.352447 5.633589 7.334606 6.916575 6.066774 6.553908 7.593756 7.515750 6.751334 6.018305 8.381944 8.251106 6.987285 7.896169 8.572835 8.315574 6.913106 9.031069 8.358393 9.461297 5.583843 6.312527 6.057408 6.922796 6.442759 6.026103 6.375230 5.598942 5.603168 2.171781 1.100010 1.781405 0.000000 6.847158 7.554211 5.605578 7.037217 6.203336 5.616099 6.552455 6.621914 6.512153 5.979107 5.535965 7.299476 7.113460 6.237849 8.174882 8.598152 8.070490 7.217477 8.615740 8.826484 9.504152 5.951964 7.187099 6.768019 7.971308 7.186918 6.710107 7.059993 5.985234 5.718815 2.171240 1.099885 1.781492 1.784267 0.000000 6.144658 6.599793 5.716180 6.153608 6.115803 5.967898 6.007871 6.726085 7.161727 7.028479 6.484017 7.115891 7.852788 7.650038 7.120695 7.253529 6.792205 6.553097 7.177452 7.756283 7.958269 6.516311 7.983646 7.968223 8.705580 8.676802 7.114925 7.069004 7.087669 7.017850 1.507113 2.537146 2.855504 3.489144 2.765389 0.000000 5.753131 6.144178 5.569548 6.023321 5.573486 5.530913 5.997873 5.993955 6.354982 6.320142 5.951000 6.350477 6.959609 6.917806 7.391068 7.434912 6.781087 6.748819 7.087049 8.141260 8.197924 6.480438 8.135108 7.963458 8.953896 8.634478 7.263311 7.309900 6.957551 6.733264 2.171583 2.765342 3.177492 3.761656 2.537318 1.099845 0.000000 5.694295 6.066998 5.567537 5.584533 5.928416 5.927072 5.571761 6.641520 7.278572 7.256775 6.654261 6.937677 8.020365 7.999502 6.443239 6.455543 6.039679 6.048884 6.373335 7.071560 7.076660 6.504801 8.032919 8.162380 8.728657 8.969503 7.030124 6.834073 7.260980 7.269757 2.171577 3.488883 3.869493 4.321146 3.760584 1.099846 1.783315 0.000000 7.192125 7.572611 6.814997 7.213214 7.178602 7.054355 7.090700 7.716369 8.113708 8.002413 7.516250 8.055466 8.737681 8.567951 8.089484 8.200814 7.778318 7.580315 8.113907 8.669918 8.839569 7.563103 8.928618 8.913808 9.604937 9.576924 8.114861 8.062915 8.089201 8.014774 2.146829 2.856088 2.730509 3.869436 3.179299 1.108069 1.781671 1.781650 0.000000 7.113410 7.845226 5.750115 6.624214 7.116619 6.560617 6.004944 8.051137 8.440687 7.957138 7.064430 8.643347 9.298190 8.517878 6.653510 7.206116 7.195688 6.063330 7.865731 6.975306 7.880924 6.030161 6.847344 7.104180 7.315407 7.797437 6.178341 6.068451 6.618935 6.879496 1.507183 2.537523 2.857762 2.764949 3.488838 2.537124 3.488868 2.765318 2.856035 0.000000 6.727091 7.401650 5.600951 6.098009 6.955060 6.522192 5.567244 7.979542 8.538955 8.158305 7.219718 8.496242 9.439115 8.831909 5.921661 6.401173 6.489059 5.513158 7.138631 6.203860 6.988654 6.016249 6.903313 7.319882 7.341492 8.120538 6.079024 5.791637 6.802770 7.134912 2.171226 3.488846 3.871256 3.760218 4.320070 2.765287 3.760517 2.537205 3.179095 1.099876 0.000000 7.416171 8.271591 5.630541 6.822747 7.324018 6.577087 5.994999 8.324516 8.624957 7.978833 6.987412 9.019390 9.522311 8.471498 6.610539 7.358267 7.458390 5.920292 8.239808 6.835053 8.071959 5.623793 6.123456 6.422792 6.500741 7.063625 5.618896 5.574103 6.122216 6.486672 2.171769 2.765079 3.179498 2.536054 3.760256 3.489106 4.321116 3.761532 3.869451 1.099997 1.784179 0.000000 8.095980 8.757800 6.845745 7.648209 8.110853 7.599979 7.087721 8.978792 9.344332 8.889706 8.060146 9.528793 10.150716 9.408797 7.648698 8.154818 8.158686 7.127718 8.772937 7.922892 8.763622 7.116209 7.847899 8.090157 8.263834 8.725865 7.242531 7.131809 7.650484 7.885333 2.147214 2.857641 2.734371 3.179115 3.871202 2.855570 3.869531 3.177625 2.730548 1.108119 1.781504 1.781447 0.000000 4.273856 5.230715 2.629454 3.990020 3.990067 3.293926 3.293870 5.010224 5.391145 4.867292 3.883923 5.755886 6.354850 5.562295 4.867139 5.391007 5.010138 3.883808 5.755818 5.562112 6.354695 3.254578 4.863088 4.863090 5.694663 5.694664 3.933721 4.028524 3.933728 4.028557 2.566253 3.270304 4.323566 3.345252 3.336942 3.262358 3.330628 3.330247 4.316932 3.269777 3.336201 3.344530 4.323132 0.000000 C18H19BIN4O(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 0 0 425.9342699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,11,18,27,29,2;32,36,40,31;44/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(16,17)(18,19);(1,2,3);/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;4.3;/rA:44nC3O1BC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHC3CHHHCHHHCHHHI0/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s23;s27;s22s24;s29;;s31;s32;s32;s32;s31;s36;s36;s36;s31;s40;s40;s40;;/rC:-2.4066,-1.9156,.0011;-2.8742,-3.04,.0019;-1.0022,.7026,-.0007;-2.1406,-1.2041,-1.2882;-2.1412,-1.202,1.2894;-1.5209,.0636,1.3297;-1.5203,.0614,-1.3303;-2.5377,-1.8058,2.4854;-2.331,-1.1303,3.6799;-1.7476,.1393,3.6275;-1.3543,.7227,2.5025;-3.0046,-2.7925,2.447;-2.6231,-1.5623,4.6383;-1.5956,.7089,4.5513;-1.7458,.1334,-3.6283;-2.3292,-1.1363,-3.6789;-2.5365,-1.8099,-2.4834;-1.3531,.7186,-2.5041;-3.0035,-2.7965,-2.4436;-1.5934,.7014,-4.5529;-2.6208,-1.5699,-4.6367;-.7259,2.2384,-.0019;-.3133,4.3162,-.6861;-.3136,4.3173,.6791;-.1509,5.1242,-1.3919;-.1514,5.1265,1.3837;-.5742,3.0241,-1.0766;-.6902,2.586,-2.0026;-.5746,3.0258,1.0717;-.6911,2.5893,1.9983;3.8904,-1.0449,.0012;4.5077,-.4118,1.2217;5.5605,-.7445,1.3169;4.5113,.6862,1.1562;3.9828,-.703,2.1434;3.7058,-2.5379,.0931;3.1822,-2.83,1.0151;3.1432,-2.9346,-.7647;4.6977,-3.0317,.1003;4.4523,-.5608,-1.3108;3.8885,-.9567,-2.1682;4.4556,.5373,-1.3748;5.5008,-.9048,-1.4121;1.4854,-.1496,.0005; 0.1949557 0.1493481 0.1458880 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= 479 478 478 478 479 MxSgAt= 44 MxSgA2= 44. 1 open 1 1 1 -1313.19576985265 -1313.19576985 1 0.8166 1.118120459025e+03 -7.845964838471e+03 2.986006054126e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572385518 LenY= 1572151746 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. 0.8166 Using compressed storage, NAtomX= 44. Will process 45 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111 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. 13260 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= 132 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= 132 NMatS0= 132 NMatT0= 0 NMatD0= 132 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 135 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 132 vectors produced by pass 0 Test12= 6.96D-14 1.00D-09 XBig12= 4.48D+02 1.13D+01. AX will form 132 AO Fock derivatives at one time. 132 vectors produced by pass 1 Test12= 6.96D-14 1.00D-09 XBig12= 5.53D+01 1.49D+00. 132 vectors produced by pass 2 Test12= 6.96D-14 1.00D-09 XBig12= 2.44D+00 2.74D-01. 132 vectors produced by pass 3 Test12= 6.96D-14 1.00D-09 XBig12= 3.80D-02 2.71D-02. 132 vectors produced by pass 4 Test12= 6.96D-14 1.00D-09 XBig12= 7.25D-04 3.24D-03. 132 vectors produced by pass 5 Test12= 6.96D-14 1.00D-09 XBig12= 9.42D-06 3.71D-04. 132 vectors produced by pass 6 Test12= 6.96D-14 1.00D-09 XBig12= 8.74D-08 3.74D-05. 93 vectors produced by pass 7 Test12= 6.96D-14 1.00D-09 XBig12= 8.27D-10 3.20D-06. 31 vectors produced by pass 8 Test12= 6.96D-14 1.00D-09 XBig12= 6.54D-12 3.53D-07. 3 vectors produced by pass 9 Test12= 6.96D-14 1.00D-09 XBig12= 5.76D-14 2.89D-08. 3 vectors produced by pass 10 Test12= 6.96D-14 1.00D-09 XBig12= 5.98D-16 1.78D-09. InvSVY: IOpt=1 It= 1 EMax= 1.23D-14 Solved reduced A of dimension 1054 with 135 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 323.79 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 381.497 -3.259 288.216 -0.019 0.008 301.657 338.582 17.838 331.881 -0.034 0.008 337.322 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 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 H H H C H H H C 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 1 1 1 13 1 1 1 13 1 1 1 127 -0.00964 0.02288 0.05369 0.01073 0.01073 -0.02622 -0.02622 -0.00941 0.01102 -0.01005 0.01406 0.00046 -0.00087 0.00047 -0.01004 0.01102 -0.00941 0.01406 0.00046 0.00047 -0.00087 -0.02533 -0.00064 -0.00064 -0.00019 -0.00019 0.01392 -0.00072 0.01392 -0.00072 0.21080 -0.01856 0.01199 0.00211 0.00215 -0.01858 0.00212 0.00211 0.01194 -0.01856 0.00214 0.00212 0.01199 0.00028 -10.83917 -13.86849 77.00621 12.06184 12.06347 -29.47927 -29.47846 -10.57975 12.39204 -11.29349 4.54353 2.04011 -3.90214 2.11970 -11.29234 12.39023 -10.57857 4.54228 2.03983 2.11959 -3.90155 -28.47835 -0.71690 -0.71744 -0.83775 -0.83758 4.49777 -3.22701 4.49764 -3.22692 236.97779 -20.86578 53.58619 9.45322 9.59209 -20.89306 9.45578 9.45336 53.38580 -20.86217 9.58139 9.45763 53.57756 0.25096 -3.86768 -4.94862 27.47773 4.30396 4.30455 -10.51894 -10.51865 -3.77512 4.42179 -4.02980 1.62124 0.72796 -1.39238 0.75636 -4.02939 4.42114 -3.77470 1.62080 0.72786 0.75632 -1.39217 -10.16178 -0.25581 -0.25600 -0.29893 -0.29887 1.60492 -1.15148 1.60487 -1.15145 84.55957 -7.44543 19.12089 3.37314 3.42270 -7.45516 3.37406 3.37319 19.04938 -7.44414 3.41888 3.37472 19.11781 0.08955 -3.61556 -4.62603 25.68651 4.02340 4.02394 -9.83323 -9.83295 -3.52902 4.13354 -3.76710 1.51556 0.68051 -1.30162 0.70705 -3.76672 4.13293 -3.52863 1.51514 0.68041 0.70702 -1.30142 -9.49936 -0.23913 -0.23931 -0.27944 -0.27939 1.50029 -1.07641 1.50025 -1.07639 79.04728 -6.96007 17.87443 3.15325 3.19958 -6.96917 3.15411 3.15330 17.80759 -6.95887 3.19601 3.15472 17.87155 0.08371 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 -0.008166 0.193528 0.150147 0.041090 0.041091 -0.031753 -0.031734 -0.023905 0.045575 -0.027160 0.069744 -0.001176 -0.000246 -0.000544 -0.027164 0.045573 -0.023906 0.069741 -0.001176 -0.000545 -0.000248 -0.012541 0.010861 0.010859 -0.000781 -0.000781 0.095889 -0.002412 0.095878 -0.002412 0.537492 -0.001004 0.003012 -0.002608 -0.004680 -0.008433 -0.003130 -0.003000 -0.001747 -0.001903 -0.004804 -0.002867 0.002491 -0.067721 0.008213 -0.071371 -0.059636 -0.009625 -0.009639 0.013776 0.013776 0.005697 -0.016535 0.008793 -0.024107 -0.001756 -0.002508 0.000133 0.008791 -0.016516 0.005690 -0.024079 -0.001754 0.000138 -0.002497 0.003803 -0.004157 -0.004155 0.001031 0.001036 -0.043864 -0.001136 -0.043862 -0.001142 -0.206869 -0.005262 -0.004184 0.003530 -0.005228 0.016030 0.006167 0.007506 0.007441 -0.006519 -0.005661 0.001762 -0.004730 0.027212 -0.000047 -0.122157 -0.090511 -0.031465 -0.031452 0.017977 0.017958 0.018208 -0.029040 0.018367 -0.045637 0.002932 0.002754 0.000411 0.018373 -0.029057 0.018216 -0.045661 0.002930 0.000407 0.002744 0.008738 -0.006704 -0.006703 -0.000250 -0.000255 -0.052025 0.003548 -0.052016 0.003554 -0.330623 0.006266 0.001172 -0.000922 0.009908 -0.007597 -0.003037 -0.004507 -0.005694 0.008421 0.010465 0.001105 0.002238 0.040509 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 0.007060 -0.126191 -0.085666 -0.040293 -0.040290 0.013427 0.013411 0.018896 -0.034657 0.021473 -0.056930 0.000063 -0.000675 0.000753 0.021482 -0.034665 0.018902 -0.056942 0.000064 0.000754 -0.000673 0.020181 -0.002875 -0.002874 0.000178 0.000177 -0.028141 0.000369 -0.028131 0.000369 -0.327638 0.004940 0.000919 0.003842 -0.000550 -0.001374 0.003518 0.003931 -0.003266 0.003472 -0.000807 0.003166 0.000113 0.038935 -0.000008 0.000174 0.000122 -0.004653 0.004755 0.007227 -0.007269 -0.004572 0.006711 -0.007168 0.014041 -0.000718 -0.001897 -0.001147 0.007109 -0.006615 0.004519 -0.013884 0.000716 0.001145 0.001896 -0.000021 -0.000294 0.000307 -0.000230 0.000230 -0.007939 0.000819 0.008047 -0.000822 0.000268 0.010396 0.005938 0.002817 0.001889 0.000101 -0.001635 0.001175 0.000108 -0.010500 -0.001151 -0.003102 -0.006040 -0.000041 -0.000005 -0.000070 -0.000043 0.004023 -0.004079 -0.001943 0.001953 0.001825 -0.004796 0.000407 -0.006917 -0.000450 -0.003260 -0.001655 -0.000380 0.004757 -0.001794 0.006850 0.000457 0.001656 0.003268 0.000008 -0.000187 0.000182 -0.001566 0.001564 0.000105 0.002014 -0.000130 -0.002006 -0.000103 0.005981 0.002649 0.007253 0.002754 -0.001363 -0.006388 0.004970 -0.000703 -0.004598 -0.000874 -0.007706 -0.001944 0.000014 0.9374 -0.3483 6.0E-4 -3.0E-4 8.0E-4 1.0 0.3483 0.9374 -7.0E-4 -0.0108 -0.0 0.0108 -1.448 -0.006 1.454 -0.517 -0.002 0.519 -0.483 -0.002 0.485 1 C 13 -2.0E-4 8.0E-4 1.0 0.3715 0.9284 -7.0E-4 0.9284 -0.3715 5.0E-4 -0.1222 -0.1219 0.244 8.839 8.818 -17.657 3.154 3.146 -6.3 2.948 2.941 -5.89 2 O 17 -9.0E-4 -0.001 1.0 0.3358 0.9419 0.0012 0.9419 -0.3358 5.0E-4 -0.0905 -0.0902 0.1807 -15.497 -15.439 30.936 -5.53 -5.509 11.039 -5.169 -5.15 10.319 3 B 11 -0.3056 -0.6439 0.7015 0.3796 0.5933 0.7099 0.8732 -0.4832 -0.0631 -0.0331 -0.0306 0.0637 -4.446 -4.105 8.551 -1.586 -1.465 3.051 -1.483 -1.369 2.852 4 C 13 0.3052 0.645 0.7005 -0.3799 -0.5921 0.7107 0.8732 -0.4831 0.0643 -0.0331 -0.0306 0.0637 -4.447 -4.106 8.552 -1.587 -1.465 3.052 -1.483 -1.369 2.853 5 C 13 0.9557 -0.2608 -0.1362 0.2609 0.9652 -0.0176 0.1361 -0.0187 0.9905 -0.0364 0.0174 0.019 -4.891 2.34 2.55 -1.745 0.835 0.91 -1.631 0.781 0.851 6 C 13 0.9557 -0.2606 0.1371 0.2607 0.9653 0.0179 -0.137 0.0187 0.9904 -0.0364 0.0174 0.019 -4.889 2.339 2.55 -1.745 0.835 0.91 -1.631 0.78 0.85 7 C 13 0.8954 -0.4352 0.0944 0.4273 0.8993 0.0936 -0.1256 -0.0434 0.9911 -0.0336 0.0149 0.0187 -4.505 1.995 2.51 -1.608 0.712 0.896 -1.503 0.665 0.837 8 C 13 0.3247 0.8246 0.4632 -0.262 -0.3922 0.8818 0.9088 -0.4076 0.0887 -0.0329 -0.0289 0.0618 -4.411 -3.878 8.29 -1.574 -1.384 2.958 -1.471 -1.294 2.765 9 C 13 0.9021 -0.4152 0.1178 0.2318 0.6963 0.6793 -0.364 -0.5855 0.7243 -0.038 0.0163 0.0216 -5.096 2.192 2.904 -1.818 0.782 1.036 -1.7 0.731 0.969 10 C 13 0.4185 0.9053 0.0722 -0.1285 -0.0197 0.9915 0.8991 -0.4243 0.1081 -0.051 -0.0473 0.0983 -1.966 -1.825 3.791 -0.702 -0.651 1.353 -0.656 -0.609 1.265 11 N 14 0.01 0.9953 0.0961 0.986 -0.0258 0.1647 -0.1664 -0.0931 0.9816 -0.0018 -0.0013 0.0031 -0.96 -0.692 1.652 -0.342 -0.247 0.589 -0.32 -0.231 0.551 12 H 1 0.3289 0.828 0.4541 0.9 -0.4205 0.1149 -0.2861 -0.3709 0.8835 -0.0046 -2.0E-4 0.0047 -2.435 -0.092 2.527 -0.869 -0.033 0.902 -0.812 -0.031 0.843 13 H 1 0.4533 0.522 0.7225 0.7944 -0.6042 -0.062 -0.4042 -0.6021 0.6886 -0.0015 -0.001 0.0025 -0.802 -0.548 1.351 -0.286 -0.196 0.482 -0.268 -0.183 0.451 14 H 1 0.9021 -0.4154 -0.1166 0.2321 0.6952 -0.6803 0.3636 0.5867 0.7236 -0.038 0.0163 0.0216 -5.096 2.192 2.904 -1.818 0.782 1.036 -1.7 0.731 0.969 15 C 13 0.3249 0.8239 -0.4644 0.2615 0.3936 0.8813 0.9089 -0.4078 -0.0876 -0.0329 -0.0289 0.0618 -4.411 -3.877 8.288 -1.574 -1.384 2.957 -1.471 -1.293 2.765 16 C 13 0.8954 -0.4354 -0.0932 0.4273 0.8991 -0.0948 0.1251 0.0451 0.9911 -0.0336 0.0149 0.0187 -4.504 1.994 2.51 -1.607 0.712 0.896 -1.503 0.665 0.837 17 C 13 0.4186 0.9052 -0.0734 0.128 0.0212 0.9916 0.8991 -0.4244 -0.1069 -0.051 -0.0473 0.0983 -1.966 -1.824 3.79 -0.701 -0.651 1.352 -0.656 -0.609 1.264 18 N 14 0.0098 0.9952 -0.0977 0.9861 -0.0258 -0.1642 0.1659 0.0948 0.9816 -0.0018 -0.0013 0.0031 -0.96 -0.692 1.652 -0.342 -0.247 0.589 -0.32 -0.231 0.551 19 H 1 -0.4535 -0.5209 0.7232 0.7945 -0.604 0.0632 0.4039 0.6032 0.6878 -0.0015 -0.001 0.0025 -0.802 -0.548 1.351 -0.286 -0.196 0.482 -0.268 -0.183 0.45 20 H 1 0.3291 0.8273 -0.4553 0.9 -0.4207 -0.1138 0.2857 0.3724 0.883 -0.0046 -2.0E-4 0.0047 -2.435 -0.092 2.527 -0.869 -0.033 0.902 -0.812 -0.031 0.843 21 H 1 0.8293 -0.5589 6.0E-4 -2.0E-4 8.0E-4 1.0 0.5589 0.8293 -6.0E-4 -0.0261 0.0087 0.0174 -3.508 1.173 2.336 -1.252 0.418 0.833 -1.17 0.391 0.779 22 C 13 0.0347 0.111 0.9932 0.1788 0.9771 -0.1154 0.9833 -0.1816 -0.0141 -0.0067 -0.0047 0.0114 -0.904 -0.625 1.529 -0.323 -0.223 0.546 -0.301 -0.209 0.51 23 C 13 -0.0352 -0.1094 0.9934 0.1788 0.9773 0.1139 0.9833 -0.1816 0.0148 -0.0067 -0.0047 0.0114 -0.904 -0.625 1.529 -0.322 -0.223 0.546 -0.301 -0.209 0.51 24 C 13 0.1764 0.5368 0.8251 0.9797 -0.1768 -0.0945 0.0951 0.825 -0.5571 -0.0013 -8.0E-4 0.0021 -0.703 -0.422 1.125 -0.251 -0.151 0.401 -0.234 -0.141 0.375 25 H 1 -0.1768 -0.5354 0.8259 0.9797 -0.1766 0.0952 0.0949 0.8259 0.5558 -0.0013 -8.0E-4 0.0021 -0.703 -0.422 1.125 -0.251 -0.151 0.401 -0.234 -0.141 0.375 26 H 1 0.1148 0.3442 0.9319 0.1592 0.9196 -0.3593 0.9806 -0.1896 -0.0508 -0.053 -0.0488 0.1017 -2.043 -1.881 3.924 -0.729 -0.671 1.4 -0.681 -0.627 1.309 27 N 14 0.9873 -0.1315 -0.0893 0.0913 0.929 -0.3586 0.1301 0.3459 0.9292 -0.0025 -0.0019 0.0044 -1.353 -1.001 2.354 -0.483 -0.357 0.84 -0.451 -0.334 0.785 28 H 1 -0.1152 -0.3427 0.9324 0.159 0.9201 0.3578 0.9805 -0.1895 0.0515 -0.053 -0.0488 0.1017 -2.043 -1.881 3.924 -0.729 -0.671 1.4 -0.681 -0.627 1.309 29 N 14 0.9872 -0.1319 0.0898 0.0917 0.9295 0.3572 -0.1306 -0.3444 0.9297 -0.0025 -0.0019 0.0044 -1.353 -1.001 2.354 -0.483 -0.357 0.84 -0.451 -0.334 0.785 30 H 1 0.005 0.0141 0.9999 0.3531 0.9355 -0.015 0.9356 -0.3531 3.0E-4 -0.3306 -0.3305 0.6612 -44.366 -44.355 88.721 -15.831 -15.827 31.658 -14.799 -14.795 29.594 31 C 13 0.7723 -0.5519 -0.3145 0.3155 0.7631 -0.5641 0.5513 0.3364 0.7635 -0.0088 -0.0076 0.0164 -1.176 -1.025 2.202 -0.42 -0.366 0.786 -0.392 -0.342 0.734 32 C 13 0.2943 0.7793 -0.5533 0.615 -0.5975 -0.5145 0.7316 0.1888 0.6551 -0.0057 -0.0028 0.0086 -3.051 -1.52 4.571 -1.089 -0.542 1.631 -1.018 -0.507 1.525 33 H 1 0.0083 -0.5965 0.8026 0.9407 -0.2675 -0.2086 0.3391 0.7568 0.5589 -0.0063 -0.0043 0.0106 -3.352 -2.308 5.66 -1.196 -0.824 2.02 -1.118 -0.77 1.888 34 H 1 0.5295 0.8238 -0.2022 0.8404 -0.5419 -0.0067 0.1151 0.1664 0.9793 -0.0063 -0.0043 0.0106 -3.339 -2.316 5.655 -1.191 -0.826 2.018 -1.114 -0.773 1.886 35 H 1 0.9981 0.0542 -0.0297 0.0265 0.0589 0.9979 -0.0559 0.9968 -0.0573 -0.0085 -0.0077 0.0162 -1.142 -1.03 2.172 -0.407 -0.368 0.775 -0.381 -0.344 0.724 36 C 13 -0.0662 0.4692 0.8806 0.9598 -0.2114 0.1848 0.2729 0.8574 -0.4364 -0.0063 -0.0042 0.0105 -3.371 -2.252 5.622 -1.203 -0.803 2.006 -1.124 -0.751 1.875 37 H 1 0.1004 -0.3617 0.9269 0.9518 -0.2364 -0.1953 0.2897 0.9018 0.3206 -0.0063 -0.0042 0.0105 -3.372 -2.25 5.621 -1.203 -0.803 2.006 -1.125 -0.75 1.875 38 H 1 0.0209 0.0585 0.9981 0.9527 0.3017 -0.0376 -0.3033 0.9516 -0.0494 -0.0057 -0.0028 0.0085 -3.059 -1.486 4.545 -1.091 -0.53 1.622 -1.02 -0.496 1.516 39 H 1 0.7853 -0.5161 0.3419 0.3405 0.8213 0.4577 -0.517 -0.243 0.8207 -0.0088 -0.0076 0.0164 -1.175 -1.025 2.2 -0.419 -0.366 0.785 -0.392 -0.342 0.734 40 C 13 0.5327 0.8425 0.0807 0.8433 -0.5364 0.0339 -0.0718 -0.05 0.9962 -0.0063 -0.0043 0.0106 -3.337 -2.314 5.651 -1.191 -0.826 2.017 -1.113 -0.772 1.885 41 H 1 0.0229 0.6869 0.7264 0.9496 -0.2421 0.199 0.3126 0.6852 -0.6579 -0.0063 -0.0043 0.0106 -3.351 -2.307 5.658 -1.196 -0.823 2.019 -1.118 -0.77 1.887 42 H 1 0.3153 0.8386 0.4442 0.6386 -0.5338 0.5544 -0.702 -0.1089 0.7038 -0.0057 -0.0028 0.0086 -3.05 -1.519 4.569 -1.088 -0.542 1.63 -1.017 -0.507 1.524 43 H 1 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l716.exe) PT24091.700S 2024-09-26T03:58:36.000 -19.23237 -14.51824 -14.51822 -14.44459 -14.44458 -10.37731 -10.37252 -10.36193 -10.36133 -10.33930 -10.33930 -10.32275 -10.31774 -10.31774 -10.31516 -10.31516 -10.30595 -10.30595 -10.30114 -10.30107 -10.28475 -10.28460 -10.28280 -6.90591 -6.82560 -4.92617 -4.91421 -4.91394 -1.95982 -1.95655 -1.95631 -1.94606 -1.94606 -1.15963 -1.12172 -1.03593 -1.03537 -1.01658 -0.90277 -0.89882 -0.89475 -0.88749 -0.86855 -0.84413 -0.77271 -0.77163 -0.75896 -0.75557 -0.74192 -0.73819 -0.72021 -0.71808 -0.69776 -0.68464 -0.64046 -0.61784 -0.61680 -0.60936 -0.59339 -0.57992 -0.57134 -0.56622 -0.55867 -0.55625 -0.54703 -0.54574 -0.53309 -0.51973 -0.51933 -0.51575 -0.50574 -0.49557 -0.49142 -0.48731 -0.47906 -0.47571 -0.46665 -0.46466 -0.46356 -0.44103 -0.44036 -0.42572 -0.41728 -0.41706 -0.41620 -0.39526 -0.36930 -0.36169 -0.35055 -0.34762 -0.34095 -0.33107 -0.32567 -0.32198 -0.29268 -0.29114 -0.20964 -0.00602 0.02180 0.04925 0.05286 0.05953 0.08334 0.13430 0.13511 0.14101 0.15609 0.15892 0.17320 0.17451 0.18851 0.19554 0.19672 0.19850 0.20424 0.20959 0.20962 0.21216 0.21762 0.22661 0.22738 0.24235 0.24261 0.24635 0.24833 0.25779 0.26201 0.27728 0.28052 0.28192 0.28365 0.29536 0.30131 0.31688 0.32923 0.33412 0.33487 0.33644 0.34798 0.36060 0.36407 0.36646 0.37481 0.38368 0.39168 0.39443 0.39560 0.41870 0.42149 0.43582 0.45362 0.46327 0.47056 0.47523 0.48026 0.48323 0.48960 0.49015 0.49993 0.50596 0.52214 0.52264 0.52803 0.52851 0.53395 0.53888 0.54442 0.55040 0.55537 0.55756 0.56727 0.57183 0.57240 0.57857 0.59316 0.59916 0.60633 0.61427 0.61788 0.62381 0.62846 0.63109 0.64672 0.65848 0.65957 0.66415 0.66923 0.68500 0.68765 0.69957 0.70362 0.70859 0.71277 0.71881 0.72556 0.72623 0.72705 0.72950 0.73732 0.73918 0.74021 0.74863 0.75100 0.75291 0.75628 0.76537 0.77164 0.77246 0.77686 0.77972 0.78443 0.78812 0.79226 0.79809 0.80117 0.80419 0.80640 0.81125 0.81695 0.82097 0.82323 0.82945 0.83222 0.83383 0.83811 0.84015 0.84351 0.85480 0.85553 0.86152 0.87870 0.88227 0.88761 0.89795 0.91560 0.94244 0.95230 0.95330 0.95941 0.98636 1.00682 1.01005 1.02361 1.04027 1.04869 1.05543 1.05548 1.07514 1.08288 1.10431 1.13973 1.14588 1.15015 1.16058 1.16415 1.18327 1.19441 1.21350 1.21956 1.22284 1.22840 1.23061 1.23264 1.24818 1.25092 1.27245 1.27321 1.29302 1.30135 1.30659 1.32391 1.32514 1.33755 1.34847 1.36266 1.36508 1.36924 1.37845 1.38078 1.38479 1.39205 1.40322 1.41312 1.43240 1.43382 1.45172 1.46535 1.47707 1.52597 1.53178 1.55508 1.55684 1.55980 1.57201 1.59881 1.60416 1.61647 1.63104 1.63298 1.63599 1.65845 1.66975 1.67450 1.67665 1.67714 1.71091 1.73049 1.76409 1.78061 1.78213 1.78382 1.79329 1.79435 1.79601 1.81445 1.81864 1.82242 1.84139 1.84490 1.85058 1.85077 1.85458 1.85795 1.86008 1.87798 1.88058 1.88494 1.89037 1.89398 1.89487 1.91420 1.92567 1.92825 1.93078 1.94668 1.94768 1.95220 1.98000 1.98075 1.99520 1.99601 1.99937 2.00658 2.00772 2.01970 2.02191 2.02436 2.03482 2.03635 2.04854 2.06459 2.08239 2.08259 2.08502 2.10594 2.12623 2.13815 2.14064 2.15122 2.19013 2.19944 2.21078 2.21699 2.22645 2.23299 2.23865 2.25840 2.25918 2.26425 2.28915 2.29224 2.29245 2.31069 2.32825 2.34517 2.34705 2.37026 2.37457 2.38744 2.41382 2.43641 2.45203 2.45354 2.46795 2.46873 2.46945 2.46990 2.48914 2.50932 2.50999 2.51375 2.52490 2.53831 2.54146 2.55874 2.57317 2.59797 2.63360 2.63444 2.63632 2.66184 2.67473 2.68001 2.68425 2.69481 2.72887 2.72986 2.74199 2.75627 2.78628 2.80036 2.80980 2.81311 2.81464 2.81942 2.82984 2.83745 2.85939 2.86269 2.89973 2.90957 2.91446 2.93388 2.94437 2.97361 2.97478 2.97987 2.98943 3.00890 3.02479 3.02505 3.03347 3.05136 3.06878 3.11118 3.11491 3.13835 3.15296 3.15369 3.19213 3.20115 3.21036 3.24534 3.26808 3.38391 3.47225 3.47973 3.49210 3.61259 3.67321 3.72690 3.75736 3.76243 18.99694 19.00268 19.74281 56.69928 -19.23088 -14.51739 -14.51737 -14.44374 -14.44374 -10.37755 -10.37307 -10.36183 -10.36123 -10.33977 -10.33977 -10.31844 -10.31843 -10.31559 -10.31558 -10.31486 -10.30525 -10.30524 -10.30040 -10.30034 -10.28515 -10.28501 -10.28320 -6.90639 -6.82303 -4.92772 -4.91418 -4.91391 -1.96079 -1.95740 -1.95715 -1.94590 -1.94590 -1.15855 -1.11898 -1.03492 -1.03436 -1.01475 -0.90129 -0.89382 -0.88687 -0.88611 -0.86766 -0.84372 -0.77098 -0.76990 -0.75771 -0.75469 -0.74139 -0.73796 -0.71947 -0.71899 -0.69780 -0.68335 -0.63964 -0.61635 -0.60882 -0.60241 -0.59272 -0.57942 -0.56798 -0.56610 -0.55813 -0.55290 -0.54632 -0.54538 -0.52072 -0.51652 -0.51605 -0.51162 -0.50440 -0.49417 -0.49039 -0.48627 -0.47846 -0.47508 -0.46157 -0.46117 -0.46004 -0.44003 -0.43946 -0.41964 -0.41505 -0.41337 -0.41321 -0.38366 -0.36599 -0.35542 -0.34728 -0.34595 -0.33817 -0.32923 -0.32396 -0.30690 -0.29282 -0.29161 -0.02718 0.00527 0.05188 0.05647 0.05742 0.07357 0.08574 0.13532 0.13792 0.14069 0.15620 0.15906 0.17337 0.18291 0.19410 0.19563 0.19854 0.19865 0.20497 0.21008 0.21020 0.21818 0.21894 0.22796 0.23004 0.24249 0.24407 0.24754 0.25028 0.25853 0.26296 0.27794 0.28033 0.28465 0.29146 0.29497 0.30984 0.31817 0.33174 0.33454 0.34069 0.34101 0.34886 0.36041 0.36422 0.36679 0.37504 0.38400 0.39217 0.39426 0.39647 0.41895 0.42145 0.43593 0.45388 0.46395 0.47112 0.47556 0.48102 0.48647 0.48995 0.49075 0.50069 0.50707 0.52322 0.52421 0.52848 0.52872 0.53547 0.53864 0.54497 0.55045 0.55640 0.55844 0.56958 0.57304 0.57594 0.58006 0.59325 0.60407 0.60726 0.61518 0.62305 0.62450 0.62913 0.63100 0.64897 0.65908 0.66071 0.66517 0.66996 0.68678 0.68841 0.70108 0.70987 0.71325 0.71506 0.71909 0.72606 0.72717 0.72808 0.73008 0.73780 0.73993 0.74471 0.74983 0.75281 0.75443 0.75831 0.76599 0.77311 0.77716 0.77853 0.78107 0.78654 0.78946 0.79571 0.79879 0.80162 0.80471 0.80947 0.81224 0.81775 0.82284 0.82435 0.82965 0.83221 0.83489 0.83822 0.84169 0.84413 0.85541 0.85652 0.86221 0.87947 0.88202 0.88798 0.89841 0.91669 0.94400 0.95419 0.95492 0.96009 0.98976 1.00752 1.01125 1.02530 1.04234 1.05252 1.05596 1.05658 1.07555 1.09558 1.10495 1.14075 1.14763 1.15199 1.16189 1.16546 1.18711 1.19479 1.21530 1.22155 1.22459 1.23392 1.23443 1.23541 1.25115 1.25275 1.27416 1.27636 1.29539 1.30279 1.30866 1.32508 1.32625 1.33789 1.34896 1.36262 1.36812 1.36975 1.37965 1.38156 1.38681 1.39274 1.40422 1.41407 1.43479 1.43674 1.45230 1.46624 1.47915 1.52736 1.53303 1.56082 1.56285 1.56783 1.57269 1.60076 1.60611 1.61746 1.63251 1.63491 1.63797 1.66153 1.67018 1.67854 1.68339 1.68392 1.71225 1.73156 1.76699 1.78119 1.78218 1.79336 1.79526 1.79692 1.80285 1.81544 1.81941 1.82260 1.84381 1.84572 1.85508 1.85821 1.85845 1.85881 1.86066 1.87825 1.88092 1.88565 1.89156 1.89559 1.89640 1.92256 1.92889 1.93149 1.93204 1.94749 1.94935 1.95272 1.98005 1.98252 1.99665 1.99726 2.00198 2.00724 2.00788 2.02231 2.02296 2.02566 2.03549 2.03683 2.04896 2.06506 2.08277 2.08298 2.08530 2.10659 2.12686 2.13836 2.14172 2.15137 2.19113 2.20026 2.21281 2.22697 2.22880 2.23324 2.23976 2.26370 2.26415 2.26448 2.28876 2.30045 2.30071 2.31161 2.32885 2.34628 2.34740 2.37086 2.37513 2.38822 2.41509 2.43761 2.45300 2.45660 2.46900 2.47029 2.47050 2.47057 2.49019 2.51045 2.51097 2.51471 2.52516 2.53893 2.54277 2.55976 2.57545 2.59905 2.63740 2.64117 2.64196 2.66931 2.67580 2.68050 2.68593 2.69632 2.73065 2.73166 2.74325 2.75737 2.78648 2.80104 2.81392 2.81663 2.81824 2.82021 2.83115 2.83880 2.86276 2.86341 2.90121 2.91119 2.91482 2.93498 2.94559 2.97740 2.97864 2.98133 2.98940 3.01043 3.02830 3.02856 3.03499 3.05162 3.06889 3.11152 3.11528 3.13962 3.15528 3.15601 3.19293 3.20174 3.21093 3.24924 3.26881 3.38427 3.47291 3.48039 3.49263 3.61339 3.67359 3.72745 3.75895 3.76284 18.99706 19.00280 19.73892 56.69924 2-A. 2.31210666e-01 2.24986799e+00 -1.89261731e-03 3.81497179e+02 -3.25883070e+00 2.88215925e+02 -1.88288843e-02 8.37079596e-03 3.01656605e+02 -343.8011 -1.1052 0.0001 0.0005 0.0006 3.2870 6.7672 7.8146 21.4645 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -343.8011 7.7128 21.4640 21.9384 51.9739 52.1287 54.7222 58.4987 102.9617 118.2247 122.6992 154.6625 161.8261 188.9695 190.2057 221.7042 224.3236 226.8067 252.4291 258.5563 258.8361 286.0248 293.8698 307.1879 352.3021 367.3564 391.3851 391.5226 410.6953 423.6487 427.3527 475.5098 522.3025 560.5169 583.2320 635.5159 641.8646 668.9822 699.3115 734.5622 747.0205 760.1968 776.4914 789.9729 795.2682 807.5022 834.6973 865.1785 879.3769 892.3809 905.8744 914.9182 938.8445 939.8692 939.9273 955.2553 965.7155 969.1598 1002.2720 1003.9013 1023.1809 1026.1857 1026.3652 1037.7901 1041.8100 1079.7480 1086.3271 1093.3798 1117.2271 1118.8686 1121.5374 1133.0180 1174.2383 1192.6172 1205.9508 1235.2487 1282.9974 1283.5133 1287.9157 1300.4676 1312.1483 1323.9592 1328.5791 1338.0792 1351.8106 1393.8389 1394.5076 1405.4025 1443.1074 1457.5697 1457.7415 1458.8543 1467.2018 1470.4015 1470.6741 1478.6809 1485.2674 1496.0868 1510.0091 1534.3516 1567.7554 1638.7885 1647.9254 1649.7846 1673.4712 1674.4191 1799.2386 3001.2096 3001.9578 3005.9003 3109.4075 3110.4169 3111.8558 3157.5011 3159.5066 3160.6401 3175.8497 3175.9529 3220.5227 3220.6913 3234.6483 3234.8734 3305.8441 3325.1201 3402.7231 3415.2762 9.6053 2.7558 4.8163 4.6656 7.4098 9.1761 9.7872 6.8604 4.5508 4.9894 5.6401 4.9249 5.9679 2.7102 2.7089 5.9518 1.0103 6.0867 5.5197 1.0728 1.0739 5.6002 7.1958 3.5064 7.0600 6.0268 2.0980 2.0968 3.6362 10.5893 4.5738 4.4229 3.5699 3.6733 8.0488 3.4631 7.9169 8.1421 8.4689 1.9783 4.6013 2.2340 7.2870 2.2865 2.7274 1.7989 1.7789 1.3897 3.3607 3.0539 1.1802 1.3439 4.8758 1.3881 1.3268 6.4981 1.2096 7.8573 1.4034 1.4294 2.2346 1.5242 1.5252 1.3804 1.4291 1.3356 2.2790 1.8019 1.7265 1.7213 1.6876 1.6266 1.8246 2.2254 1.7807 2.9144 2.3559 2.3581 1.8269 1.9631 2.6398 5.7084 5.8388 4.1128 2.0301 1.4031 1.4029 1.2336 1.0428 1.0609 1.0562 3.1936 3.1545 1.0847 1.0869 3.2022 1.0727 2.6421 3.6468 5.2345 5.8246 6.6820 4.4095 5.4690 6.8719 6.9781 12.6620 1.0487 1.0487 1.0489 1.0875 1.0874 1.0874 1.1057 1.1053 1.1052 1.0916 1.0916 1.0906 1.0907 1.0993 1.0994 1.0931 1.1114 1.0850 1.0895 0.6689 0.0001 0.0013 0.0013 0.0118 0.0147 0.0173 0.0138 0.0284 0.0411 0.0500 0.0694 0.0921 0.0570 0.0577 0.1724 0.0300 0.1845 0.2072 0.0423 0.0424 0.2699 0.3661 0.1949 0.5163 0.4792 0.1893 0.1894 0.3614 1.1198 0.4921 0.5892 0.5738 0.6800 1.6131 0.8241 1.9217 2.1469 2.4402 0.6289 1.5129 0.7606 2.5887 0.8407 1.0163 0.6911 0.7302 0.6129 1.5312 1.4328 0.5706 0.6628 2.5321 0.7224 0.6906 3.4936 0.6646 4.3483 0.8306 0.8487 1.3784 0.9457 0.9466 0.8759 0.9139 0.9174 1.5846 1.2691 1.2697 1.2696 1.2507 1.2303 1.4823 1.8649 1.5258 2.6200 2.2849 2.2888 1.7854 1.9561 2.6779 5.8954 6.0722 4.3386 2.1858 1.6061 1.6074 1.4355 1.2795 1.3280 1.3224 4.0046 4.0009 1.3818 1.3851 4.1252 1.3942 3.4842 4.8991 7.2607 8.4347 10.5732 7.0553 8.7702 11.3386 11.5269 24.1507 5.5653 5.5684 5.5838 6.1951 6.1983 6.2040 6.4952 6.5006 6.5050 6.4870 6.4875 6.6643 6.6657 6.7765 6.7780 7.0382 7.2399 7.4019 7.4874 185.5853 0.0215 0.5363 0.3671 1.0608 0.8956 1.8550 1.5475 0.0467 2.7310 1.8688 0.0793 1.4413 0.1574 0.1562 11.2702 0.0002 0.2461 0.2611 0.0117 0.0021 5.0751 14.6944 5.1938 16.5640 3.3058 0.1290 0.1598 5.1691 0.3984 0.8933 0.4417 0.2664 1.6794 7.2010 0.0001 4.8336 13.6193 0.0101 26.7694 0.4868 23.6576 6.6620 0.1702 21.2127 49.0899 0.6442 0.1577 44.5605 4.1999 0.0033 78.0288 3.2282 0.3711 0.0607 4.9179 0.0019 35.0682 0.0069 0.7972 21.4424 1.2561 1.6274 0.2230 0.1056 11.8730 5.3516 0.1888 108.4875 137.3417 25.5805 71.3169 52.4082 5.4686 6.1134 110.4423 3.4198 3.5282 28.8573 50.4470 25.9877 9.9496 34.0865 89.8153 9.7866 18.3291 18.0505 28.6330 0.0009 0.2727 0.7222 21.4857 51.3521 4.6732 5.6827 115.1408 7.6941 6.7434 28.1856 15.0763 33.5407 5.4795 86.7517 235.3729 54.6127 175.6061 423.2106 17.0449 22.0532 299.3903 5.3276 6.4214 5.0560 2.0311 14.8207 13.3657 50.2168 6.3329 1.4508 0.1516 20.8391 2.1245 5.3578 1.8889 402.9244 264.7420 0.01 0.00 0.00 0.01 0.02 -0.00 0.47 -0.17 0.00 0.01 0.01 -0.01 0.01 0.01 0.01 0.07 -0.03 0.01 0.07 -0.03 -0.01 -0.01 0.01 -0.00 -0.01 0.01 0.00 -0.02 0.00 -0.00 0.01 -0.01 -0.01 -0.03 0.02 -0.00 -0.00 0.01 0.00 -0.04 0.02 -0.01 -0.02 0.00 0.00 -0.01 0.01 -0.00 -0.01 0.01 0.00 0.01 -0.01 0.01 -0.03 0.02 0.00 -0.04 0.02 0.01 -0.00 0.01 -0.00 0.07 -0.02 0.00 -0.02 -0.00 0.00 -0.02 -0.00 -0.00 -0.05 -0.00 -0.00 -0.05 -0.00 0.00 0.00 -0.01 0.01 0.04 -0.02 0.01 0.00 -0.01 -0.01 0.04 -0.02 -0.01 0.46 -0.17 0.00 0.13 -0.03 0.03 0.17 0.14 0.29 -0.00 -0.03 -0.04 -0.00 -0.03 -0.04 0.11 -0.08 0.00 0.03 0.04 -0.00 0.03 0.04 -0.00 -0.02 -0.36 0.02 0.13 -0.03 -0.03 -0.00 -0.02 0.04 0.00 -0.02 0.04 0.15 0.10 -0.31 -0.14 0.05 -0.00 -0.00 0.00 -0.02 -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.02 -0.02 -0.01 -0.02 -0.01 -0.01 -0.02 -0.00 -0.00 -0.02 0.00 -0.01 -0.01 -0.02 -0.01 -0.03 -0.02 -0.01 -0.03 0.00 0.01 0.02 -0.00 0.01 0.02 -0.01 0.00 0.02 -0.02 0.01 0.02 0.00 0.00 0.02 -0.02 0.01 0.03 0.00 0.01 0.03 -0.02 0.00 -0.00 0.01 0.00 0.00 0.03 0.00 -0.01 0.03 0.01 0.01 0.03 0.00 -0.01 0.03 0.00 0.01 0.02 0.01 0.01 0.02 -0.00 -0.01 0.02 -0.00 -0.01 0.02 0.00 0.00 -0.00 0.07 0.18 -0.12 0.07 0.20 -0.13 0.06 0.17 -0.28 0.12 0.31 -0.05 0.01 0.02 0.22 0.06 0.15 0.29 -0.04 -0.11 0.31 0.01 0.02 0.24 -0.07 -0.18 -0.10 -0.12 -0.30 -0.01 -0.08 -0.19 -0.26 -0.08 -0.19 -0.11 -0.00 -0.00 0.00 -0.09 0.02 -0.00 -0.14 0.04 -0.00 0.00 -0.03 -0.01 -0.08 0.01 -0.00 -0.05 0.00 -0.00 -0.00 -0.02 -0.01 -0.03 -0.01 -0.01 -0.05 0.01 -0.00 -0.01 -0.01 -0.00 0.03 -0.03 -0.00 0.04 -0.03 -0.01 -0.09 0.03 0.00 -0.01 -0.00 0.00 0.07 -0.04 -0.00 -0.06 0.01 -0.00 -0.11 0.03 -0.00 -0.12 0.03 -0.00 -0.02 -0.01 -0.01 -0.16 0.05 0.00 -0.05 0.00 -0.00 -0.14 0.05 0.00 0.04 -0.04 -0.01 0.11 -0.05 -0.00 0.13 -0.06 -0.00 0.13 -0.05 -0.00 0.16 -0.07 -0.00 0.06 -0.04 -0.01 0.04 -0.03 -0.01 0.08 -0.05 -0.01 0.08 -0.05 -0.01 0.07 0.14 0.06 -0.03 0.20 0.07 -0.00 0.29 0.11 -0.12 0.20 0.07 -0.03 0.16 0.06 0.19 0.12 0.06 0.18 0.09 0.05 0.25 0.07 0.05 0.23 0.21 0.10 0.07 0.18 0.07 0.13 0.12 0.06 -0.02 0.18 0.07 0.10 0.27 0.11 -0.00 -0.05 -0.02 0.04 -0.01 -0.01 0.05 -0.01 -0.01 -0.00 0.01 -0.03 -0.02 0.01 -0.01 0.07 -0.02 -0.01 0.04 -0.01 -0.02 -0.03 0.02 -0.02 0.12 -0.04 -0.00 0.15 -0.05 -0.00 0.12 -0.04 -0.01 0.07 -0.02 -0.01 0.14 -0.05 -0.00 0.19 -0.07 0.00 0.15 -0.05 -0.01 -0.11 0.05 -0.01 -0.10 0.04 -0.00 -0.05 0.02 -0.00 -0.08 0.04 -0.01 -0.04 0.02 -0.00 -0.15 0.06 -0.01 -0.13 0.05 0.00 -0.02 0.01 -0.02 -0.07 0.03 -0.01 -0.02 0.01 -0.01 -0.10 0.04 -0.00 -0.01 0.01 -0.00 -0.06 0.03 -0.01 -0.08 0.04 -0.02 0.01 0.01 -0.01 0.04 -0.01 -0.02 -0.03 -0.05 0.15 -0.10 -0.03 0.17 -0.12 -0.07 0.27 -0.06 -0.04 0.14 -0.18 0.02 0.14 -0.08 -0.04 0.18 -0.16 0.00 0.15 -0.02 -0.06 0.15 -0.10 -0.07 0.28 0.09 -0.11 0.17 0.15 -0.13 0.14 0.13 -0.12 0.14 0.09 -0.15 0.27 0.00 0.02 -0.06 -0.13 0.05 -0.00 -0.26 0.10 -0.00 0.07 -0.04 -0.00 -0.05 0.02 -0.00 -0.05 0.02 -0.00 0.04 -0.02 -0.00 0.04 -0.02 -0.00 -0.11 0.05 -0.00 -0.07 0.04 -0.00 0.02 -0.00 -0.00 0.07 -0.03 -0.00 -0.19 0.09 -0.01 -0.11 0.06 -0.00 0.05 -0.01 -0.00 0.01 -0.00 -0.00 -0.07 0.04 0.00 -0.11 0.05 0.00 0.06 -0.03 -0.00 -0.19 0.09 0.01 0.04 -0.01 0.00 -0.12 0.06 0.00 -0.01 -0.02 -0.00 -0.29 0.03 -0.00 -0.29 0.03 -0.00 -0.40 0.05 -0.00 -0.40 0.05 -0.00 -0.11 -0.00 -0.00 -0.07 -0.02 -0.00 -0.11 -0.00 -0.00 -0.07 -0.02 -0.00 0.09 -0.04 -0.00 0.11 -0.06 -0.00 0.10 -0.08 -0.01 0.13 -0.06 0.00 0.11 -0.05 0.00 0.07 -0.04 -0.00 0.07 -0.03 0.00 0.06 -0.03 0.00 0.06 -0.05 -0.00 0.10 -0.06 -0.00 0.10 -0.04 -0.00 0.13 -0.06 -0.00 0.10 -0.08 0.00 0.11 -0.01 0.00 0.00 -0.00 -0.07 0.00 -0.00 -0.07 -0.00 -0.00 -0.08 -0.05 0.02 -0.07 0.05 -0.02 -0.07 0.02 -0.00 -0.08 -0.02 0.00 -0.08 0.15 -0.06 -0.06 0.20 -0.08 -0.06 0.13 -0.05 -0.07 0.04 -0.01 -0.08 0.19 -0.08 -0.05 0.28 -0.12 -0.05 0.16 -0.06 -0.06 -0.13 0.05 -0.07 -0.20 0.08 -0.06 -0.15 0.06 -0.06 -0.05 0.01 -0.08 -0.18 0.08 -0.05 -0.16 0.06 -0.06 -0.28 0.11 -0.05 0.00 -0.00 -0.10 0.00 -0.01 -0.13 0.01 0.01 -0.13 0.00 -0.02 -0.14 0.02 0.02 -0.14 -0.00 -0.02 -0.11 -0.02 -0.03 -0.10 0.01 0.02 -0.11 0.02 0.03 -0.10 -0.00 0.00 -0.01 0.10 -0.04 -0.04 0.11 -0.04 -0.14 0.09 -0.03 -0.01 0.18 -0.07 -0.01 0.00 -0.00 -0.04 0.08 -0.03 -0.01 -0.07 0.03 -0.01 0.00 -0.00 -0.15 -0.11 0.04 -0.04 -0.18 0.07 -0.01 -0.11 0.04 -0.01 -0.12 0.04 -0.14 -0.00 0.00 0.18 -0.16 -0.02 0.00 -0.29 0.04 0.00 -0.05 -0.06 0.00 -0.07 -0.05 -0.00 -0.07 -0.05 0.00 -0.03 -0.08 0.00 -0.03 -0.08 -0.00 -0.04 -0.07 0.01 0.04 -0.11 0.01 0.08 -0.12 0.02 0.04 -0.11 0.01 -0.08 -0.05 0.00 0.08 -0.12 0.02 0.14 -0.15 0.02 0.08 -0.12 -0.01 0.05 -0.11 -0.01 -0.04 -0.07 -0.01 0.04 -0.11 -0.01 -0.08 -0.05 -0.00 0.14 -0.15 -0.02 0.08 -0.13 -0.02 -0.02 -0.07 0.00 0.18 -0.11 0.00 0.18 -0.11 0.00 0.26 -0.12 0.00 0.26 -0.13 0.00 0.05 -0.08 0.00 0.06 -0.08 -0.00 0.05 -0.08 0.00 0.06 -0.08 0.00 -0.04 -0.00 0.00 0.01 -0.06 0.00 -0.02 -0.15 0.01 0.12 -0.06 -0.00 -0.02 -0.01 -0.00 -0.17 0.01 0.00 -0.20 0.06 0.00 -0.21 0.06 0.00 -0.22 -0.08 0.00 0.00 -0.06 -0.00 -0.04 -0.00 0.00 0.11 -0.06 -0.00 -0.03 -0.15 -0.01 0.02 0.17 -0.00 -0.08 0.08 -0.00 -0.21 0.13 -0.00 -0.01 0.05 -0.00 0.01 0.04 -0.00 0.01 0.04 0.00 0.02 0.03 0.00 0.02 0.03 -0.00 0.12 -0.01 0.02 0.24 -0.06 0.03 0.22 -0.05 0.02 0.11 -0.00 0.01 0.12 -0.01 0.02 0.34 -0.11 0.04 0.30 -0.09 0.03 0.22 -0.05 -0.02 0.24 -0.06 -0.03 0.12 -0.01 -0.02 0.11 -0.00 -0.01 0.12 -0.01 -0.02 0.30 -0.09 -0.03 0.34 -0.11 -0.04 -0.02 0.05 -0.00 -0.07 0.06 -0.00 -0.07 0.06 -0.00 -0.09 0.06 -0.00 -0.09 0.06 -0.00 -0.04 0.05 -0.00 -0.01 0.04 -0.00 -0.04 0.05 -0.00 -0.01 0.04 0.00 -0.05 0.02 -0.00 -0.07 0.04 0.00 -0.06 0.08 0.00 -0.12 0.04 0.00 -0.06 0.02 -0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.02 0.05 -0.00 -0.07 0.04 -0.00 -0.05 0.02 -0.00 -0.11 0.04 0.00 -0.06 0.08 -0.00 -0.07 -0.05 0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 0.02 -0.04 0.02 0.02 0.04 -0.02 0.02 -0.04 0.02 0.02 0.04 -0.02 0.02 0.12 -0.07 0.02 0.09 -0.06 0.02 -0.07 0.01 0.01 -0.13 0.05 0.01 0.21 -0.11 0.03 0.15 -0.09 0.03 -0.14 0.04 0.01 0.07 -0.01 0.01 -0.09 0.06 0.02 -0.12 0.07 0.02 0.13 -0.05 0.01 -0.21 0.11 0.03 0.14 -0.04 0.01 -0.16 0.09 0.03 -0.00 0.00 0.00 0.15 -0.03 -0.00 -0.15 0.03 -0.00 0.31 -0.07 -0.01 -0.31 0.07 -0.01 0.24 -0.05 -0.00 0.37 -0.07 -0.00 -0.24 0.05 -0.00 -0.37 0.07 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.02 0.01 0.02 -0.01 0.01 -0.01 -0.03 0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.00 -0.01 -0.00 0.00 0.02 0.02 -0.01 -0.00 0.03 -0.01 -0.01 0.02 -0.01 -0.01 0.02 -0.01 0.01 -0.00 -0.00 -0.02 0.00 -0.00 -0.01 0.00 0.00 0.04 0.00 -0.00 -0.11 -0.02 -0.04 -0.03 0.02 0.04 -0.03 0.02 0.04 -0.09 -0.02 -0.04 -0.09 0.03 0.08 -0.00 0.05 0.12 -0.03 0.05 0.11 -0.08 0.03 0.07 -0.10 0.03 0.08 0.04 0.07 0.15 -0.01 0.07 0.15 -0.10 -0.05 -0.11 -0.08 -0.05 -0.12 -0.03 -0.03 -0.08 -0.00 -0.03 -0.07 -0.10 -0.03 -0.08 0.04 -0.07 -0.15 -0.10 -0.07 -0.15 -0.01 0.00 -0.00 -0.04 0.04 0.09 0.24 -0.04 -0.09 0.24 0.09 0.17 0.35 -0.09 -0.17 0.35 0.06 0.13 0.06 0.13 0.28 -0.00 -0.06 -0.13 0.06 -0.13 -0.28 -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 0.02 -0.01 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.02 0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 0.01 0.06 -0.02 0.00 0.10 -0.03 0.00 0.17 -0.08 0.00 0.04 -0.00 0.00 0.04 -0.00 -0.00 0.13 -0.05 0.00 0.13 -0.05 -0.00 -0.10 0.07 -0.01 -0.09 0.07 -0.01 0.08 -0.01 -0.00 0.18 -0.07 0.00 -0.20 0.11 -0.01 -0.20 0.12 -0.02 0.13 -0.02 -0.01 0.08 -0.01 0.01 -0.09 0.07 0.01 -0.10 0.07 0.01 0.18 -0.07 -0.00 -0.20 0.12 0.01 0.13 -0.02 0.01 -0.20 0.12 0.02 0.11 -0.07 0.00 -0.07 -0.03 0.00 -0.07 -0.03 -0.00 -0.15 -0.02 -0.00 -0.15 -0.01 -0.00 0.05 -0.06 -0.00 0.08 -0.07 0.00 0.05 -0.06 0.00 0.08 -0.07 -0.00 -0.17 0.06 -0.00 -0.16 0.06 0.00 -0.16 0.06 0.00 -0.16 0.06 0.00 -0.17 0.06 0.00 -0.17 0.06 -0.00 -0.17 0.06 -0.00 -0.17 0.06 0.00 -0.17 0.06 0.00 -0.16 0.06 -0.00 -0.17 0.06 -0.00 -0.16 0.06 -0.00 -0.16 0.06 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.05 -0.03 -0.01 -0.05 0.03 -0.01 0.05 -0.03 0.01 -0.05 0.03 0.01 -0.16 0.07 -0.02 -0.05 0.02 -0.01 0.16 -0.07 0.02 0.17 -0.08 0.02 -0.29 0.14 -0.03 -0.11 0.05 -0.01 0.29 -0.13 0.03 -0.16 0.07 0.02 0.05 -0.02 -0.01 0.16 -0.07 -0.02 -0.17 0.08 0.02 0.29 -0.14 -0.03 -0.29 0.13 0.03 0.11 -0.05 -0.01 -0.00 0.00 -0.01 0.12 -0.03 -0.03 -0.12 0.03 -0.03 0.24 -0.06 -0.04 -0.24 0.06 -0.04 0.19 -0.05 -0.02 0.21 -0.06 -0.01 -0.19 0.05 -0.02 -0.21 0.06 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.04 0.03 -0.00 0.28 -0.10 0.00 -0.14 0.05 -0.00 -0.17 0.07 0.00 -0.17 0.07 -0.00 -0.09 0.04 0.01 -0.09 0.04 -0.01 -0.17 0.07 -0.00 0.00 -0.02 0.01 0.17 -0.09 0.04 0.09 -0.05 0.03 -0.25 0.10 -0.01 0.04 -0.04 0.02 0.36 -0.19 0.06 0.17 -0.09 -0.04 0.00 -0.02 -0.01 -0.17 0.07 0.00 0.09 -0.05 -0.03 -0.25 0.10 0.01 0.36 -0.19 -0.06 0.04 -0.04 -0.02 -0.10 0.04 -0.00 0.03 0.02 -0.00 0.03 0.02 0.00 0.08 0.01 0.00 0.08 0.01 -0.00 -0.06 0.03 -0.00 -0.01 0.03 -0.00 -0.06 0.03 0.00 -0.01 0.03 0.00 0.07 -0.03 -0.00 0.08 -0.03 -0.00 0.08 -0.04 -0.02 0.09 -0.03 -0.00 0.09 -0.03 0.00 0.08 -0.03 -0.00 0.08 -0.03 0.00 0.08 -0.03 -0.00 0.09 -0.01 -0.00 0.08 -0.03 0.00 0.09 -0.03 -0.00 0.09 -0.03 -0.00 0.08 -0.04 0.02 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.12 -0.22 0.09 -0.06 -0.22 0.13 0.16 -0.23 0.09 -0.15 -0.38 0.16 -0.13 -0.00 -0.00 -0.09 -0.17 0.02 -0.17 0.16 -0.04 -0.18 -0.00 0.01 0.11 0.22 -0.10 -0.06 0.37 -0.18 -0.13 0.23 -0.11 -0.15 0.23 -0.11 0.16 0.00 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 -0.00 -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 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 -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 0.00 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 -0.04 -0.11 0.01 -0.16 -0.02 0.02 -0.09 0.17 0.02 -0.37 -0.02 0.05 -0.11 -0.14 0.01 0.24 -0.14 0.00 0.31 -0.25 0.01 0.31 -0.26 0.01 0.34 0.06 -0.01 -0.15 -0.02 -0.01 -0.11 -0.15 0.01 -0.37 -0.03 -0.03 -0.09 0.17 -0.04 0.01 0.03 -0.00 0.08 -0.01 0.00 -0.07 0.05 -0.00 0.02 0.10 -0.00 0.12 -0.03 0.03 0.12 -0.03 -0.03 0.10 -0.02 0.01 0.10 -0.02 -0.01 -0.03 -0.06 -0.10 -0.15 -0.10 -0.07 -0.05 -0.14 0.01 0.07 -0.10 0.06 -0.07 -0.04 -0.20 -0.29 -0.09 -0.11 -0.09 -0.19 0.04 -0.05 -0.14 -0.01 -0.15 -0.10 0.07 -0.03 -0.06 0.10 0.07 -0.10 -0.06 -0.07 -0.04 0.20 -0.09 -0.19 -0.04 -0.29 -0.09 0.11 -0.09 0.16 -0.00 0.09 0.16 0.00 0.09 0.16 -0.00 0.17 0.14 -0.00 0.17 0.14 0.00 -0.05 0.18 0.00 0.02 0.21 -0.01 -0.05 0.18 -0.00 0.02 0.21 0.01 0.00 0.00 0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.02 -0.00 -0.00 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.02 -0.00 -0.00 0.01 -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 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.10 0.27 -0.20 -0.29 0.02 0.14 0.21 -0.25 0.03 0.00 0.00 0.01 -0.29 0.03 -0.15 0.29 -0.05 -0.16 0.01 0.02 0.36 -0.00 -0.01 -0.00 -0.20 0.25 0.01 0.29 0.00 0.12 -0.11 -0.29 -0.16 0.00 0.00 -0.00 -0.05 0.06 -0.00 0.06 0.01 0.00 0.07 0.02 0.00 -0.09 0.07 0.02 -0.09 0.07 -0.02 -0.08 0.06 0.01 -0.08 0.06 -0.01 -0.03 -0.05 -0.06 0.02 -0.15 -0.02 -0.05 -0.12 0.02 -0.10 -0.01 0.05 0.01 -0.06 -0.14 0.11 -0.24 -0.04 -0.05 -0.17 0.06 -0.05 -0.12 -0.02 0.02 -0.15 0.02 -0.03 -0.05 0.06 -0.10 -0.01 -0.05 0.01 -0.06 0.14 -0.05 -0.17 -0.06 0.11 -0.24 0.04 0.31 -0.00 0.00 -0.12 0.10 0.00 -0.12 0.10 -0.00 -0.32 0.14 -0.00 -0.32 0.14 0.00 0.22 0.02 0.00 0.14 0.07 -0.00 0.22 0.02 -0.00 0.14 0.07 0.00 -0.01 0.01 -0.00 -0.02 0.01 0.00 -0.03 0.02 0.02 -0.03 0.01 -0.01 -0.04 0.02 -0.00 -0.03 0.01 0.00 -0.04 0.02 0.00 -0.05 0.02 0.00 -0.05 -0.01 -0.00 -0.03 0.01 -0.00 -0.03 0.02 0.00 -0.03 0.01 0.00 -0.02 0.02 -0.02 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.03 -0.00 0.00 0.01 0.22 -0.11 -0.01 -0.22 0.11 -0.01 -0.20 0.10 -0.01 0.20 -0.10 -0.01 -0.13 0.06 -0.01 0.14 -0.08 0.02 0.10 -0.06 0.03 -0.15 0.06 0.01 -0.15 0.07 -0.02 0.36 -0.19 0.04 0.28 -0.15 0.06 -0.10 0.06 0.03 -0.14 0.08 0.02 0.13 -0.06 -0.01 0.15 -0.06 0.01 0.15 -0.07 -0.02 -0.28 0.15 0.05 -0.36 0.19 0.04 0.00 -0.00 -0.03 -0.02 0.02 0.01 0.02 -0.02 0.01 -0.03 0.03 0.03 0.03 -0.03 0.03 -0.03 0.02 -0.01 0.00 0.03 -0.02 0.03 -0.02 -0.01 -0.00 -0.03 -0.02 -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 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.04 -0.04 -0.01 -0.03 -0.22 0.05 0.23 -0.04 -0.07 -0.05 0.10 -0.02 -0.01 0.00 0.02 -0.39 0.07 -0.17 0.37 -0.08 -0.18 0.00 0.02 0.51 -0.03 0.03 -0.01 0.13 -0.17 -0.02 -0.31 0.03 -0.09 0.07 0.31 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 0.01 -0.00 -0.02 -0.01 0.02 -0.16 -0.34 0.29 0.34 -0.02 -0.14 -0.30 0.30 -0.04 0.06 0.01 0.00 0.02 -0.01 -0.02 0.12 -0.03 -0.02 0.08 0.06 0.06 -0.03 0.00 -0.02 -0.28 0.27 0.01 0.29 0.01 0.11 -0.16 -0.31 -0.23 0.00 -0.00 0.00 -0.00 -0.00 -0.04 -0.00 -0.00 -0.16 0.00 -0.00 0.03 0.05 0.05 -0.01 -0.05 -0.05 -0.01 -0.04 -0.06 -0.06 0.04 0.06 -0.06 -0.01 0.02 0.04 0.07 0.08 -0.00 0.05 0.08 -0.08 -0.01 0.03 -0.12 -0.03 0.02 0.13 0.12 0.13 0.03 0.09 0.12 -0.11 -0.05 -0.08 -0.08 -0.07 -0.08 -0.00 0.01 -0.02 0.04 0.01 -0.03 -0.12 0.03 -0.02 0.13 -0.09 -0.13 -0.11 -0.12 -0.13 0.03 -0.00 0.00 0.29 -0.02 -0.11 -0.02 0.02 0.11 -0.02 -0.03 -0.23 -0.16 0.03 0.23 -0.16 -0.02 -0.16 0.19 -0.05 -0.29 0.24 0.02 0.16 0.19 0.05 0.29 0.24 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -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 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.08 0.24 -0.00 0.10 0.24 -0.00 0.07 -0.03 0.00 0.04 0.15 -0.03 0.04 0.15 0.03 0.04 0.11 0.10 0.04 0.11 -0.10 0.02 0.02 -0.05 -0.02 -0.10 0.01 -0.07 -0.06 0.12 -0.02 0.04 0.17 0.05 0.01 -0.17 -0.02 -0.19 -0.03 -0.13 -0.12 0.16 -0.07 -0.06 -0.12 -0.02 -0.10 -0.01 0.02 0.02 0.05 -0.02 0.04 -0.17 0.05 0.01 0.17 -0.13 -0.12 -0.16 -0.02 -0.19 0.03 -0.12 -0.08 0.00 0.02 -0.16 -0.00 0.02 -0.16 0.00 0.10 -0.17 0.01 0.10 -0.17 -0.01 -0.12 -0.12 -0.01 -0.10 -0.14 -0.01 -0.12 -0.12 0.01 -0.10 -0.14 0.01 0.03 -0.01 -0.00 -0.04 0.03 0.01 -0.03 0.07 0.09 -0.08 0.03 -0.01 -0.09 0.03 -0.01 -0.06 0.00 0.00 -0.09 0.05 -0.00 -0.09 0.04 0.00 -0.10 -0.08 0.01 -0.04 0.03 -0.01 -0.09 0.03 0.01 -0.08 0.03 0.01 -0.04 0.06 -0.10 0.03 -0.01 0.00 -0.07 -0.03 0.00 0.02 -0.06 0.00 0.15 -0.04 0.00 -0.08 0.00 0.01 -0.08 0.00 -0.01 -0.01 -0.02 -0.03 -0.01 -0.02 0.03 -0.03 0.00 -0.00 0.07 -0.02 -0.00 -0.00 0.01 -0.03 -0.05 0.01 -0.05 -0.04 0.00 0.02 0.16 -0.04 0.01 -0.01 0.03 -0.05 -0.00 0.01 0.03 0.07 -0.02 0.00 -0.03 0.00 -0.00 -0.05 0.01 0.05 -0.04 0.00 -0.02 -0.01 0.03 0.05 0.16 -0.04 -0.01 -0.08 0.05 -0.00 0.06 0.04 0.00 0.06 0.04 -0.00 0.13 0.02 -0.00 0.13 0.02 0.00 -0.07 0.06 0.01 -0.04 0.06 0.00 -0.07 0.06 -0.01 -0.04 0.06 -0.00 0.11 -0.04 -0.00 -0.10 0.07 0.04 -0.07 0.22 0.25 -0.24 0.07 -0.02 -0.23 0.07 -0.03 -0.13 -0.00 0.00 -0.22 0.11 -0.01 -0.22 0.12 0.00 -0.25 -0.24 0.02 -0.10 0.06 -0.05 -0.22 0.07 0.03 -0.24 0.07 0.02 -0.09 0.19 -0.27 0.06 -0.02 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.38 0.00 -0.00 0.01 -0.07 -0.15 -0.11 0.07 0.15 -0.11 0.06 0.12 0.01 -0.06 -0.12 0.01 0.05 0.05 -0.20 0.00 -0.04 -0.15 -0.02 -0.03 -0.02 0.03 0.07 0.04 0.07 0.05 -0.31 -0.02 -0.13 -0.20 -0.08 -0.11 0.04 0.02 0.03 -0.02 -0.00 0.04 -0.15 -0.05 -0.05 -0.20 -0.03 -0.07 0.05 -0.07 -0.05 -0.31 0.08 0.11 0.04 0.03 0.13 -0.20 -0.00 0.00 0.16 -0.01 -0.06 -0.01 0.01 0.06 -0.01 -0.02 -0.13 -0.09 0.02 0.13 -0.09 -0.01 -0.09 0.11 -0.03 -0.17 0.15 0.01 0.09 0.11 0.03 0.17 0.15 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.05 -0.00 0.02 0.04 -0.00 0.09 0.01 -0.00 -0.00 0.07 0.12 -0.00 0.07 -0.12 0.03 0.03 -0.12 0.03 0.03 0.12 -0.04 0.01 -0.21 0.06 -0.04 -0.22 0.01 -0.02 -0.19 -0.02 0.06 -0.15 -0.07 0.03 -0.28 0.12 -0.07 -0.21 -0.00 -0.07 -0.16 0.01 -0.02 0.19 0.06 -0.04 0.22 -0.04 0.01 0.21 -0.02 0.06 0.15 -0.07 0.03 0.28 -0.00 -0.07 0.16 0.12 -0.07 0.21 -0.03 -0.03 -0.00 0.01 -0.07 -0.00 0.01 -0.07 0.00 0.04 -0.08 0.00 0.04 -0.08 -0.00 -0.05 -0.05 -0.01 -0.06 -0.09 0.01 -0.05 -0.05 0.01 -0.06 -0.09 -0.01 -0.09 0.04 -0.00 0.02 -0.03 -0.02 0.01 -0.11 -0.14 0.10 -0.03 0.02 0.09 -0.03 0.02 0.04 0.02 -0.00 0.09 -0.05 0.00 0.09 -0.05 -0.00 0.11 0.15 -0.01 0.02 -0.02 0.03 0.09 -0.03 -0.02 0.10 -0.03 -0.02 0.01 -0.09 0.15 -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 0.01 0.04 -0.13 -0.07 -0.15 -0.00 -0.08 -0.17 0.00 -0.09 -0.13 0.30 -0.13 -0.42 -0.12 0.01 0.06 0.16 0.16 0.34 0.33 -0.11 -0.19 0.37 0.02 0.07 0.18 0.05 0.07 -0.12 0.05 0.12 -0.14 0.05 0.08 -0.06 0.05 0.08 -0.13 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.12 0.04 0.01 -0.03 0.16 0.00 -0.03 0.17 -0.02 -0.02 0.39 -0.05 -0.24 0.06 0.03 0.13 -0.07 -0.02 0.01 -0.14 0.09 0.23 -0.16 0.03 0.14 -0.08 -0.05 -0.14 -0.10 -0.13 -0.45 0.10 -0.10 -0.16 -0.47 -0.05 -0.15 -0.10 -0.00 -0.00 -0.00 -0.10 0.03 -0.00 0.04 -0.03 -0.00 0.24 -0.09 0.00 -0.09 0.03 -0.02 -0.09 0.03 0.02 0.08 -0.05 0.02 0.08 -0.05 -0.02 -0.01 0.00 0.05 0.07 -0.04 0.07 -0.08 0.02 0.03 -0.00 -0.03 0.02 0.01 -0.01 0.06 0.15 -0.08 0.07 -0.21 0.11 0.00 -0.08 0.02 -0.03 0.07 -0.04 -0.07 -0.01 0.00 -0.05 -0.00 -0.03 -0.02 0.01 -0.01 -0.06 -0.21 0.11 -0.00 0.15 -0.08 -0.07 -0.02 0.02 -0.00 0.04 0.03 0.00 0.04 0.03 -0.00 0.08 0.02 -0.00 0.08 0.02 0.00 -0.05 0.05 0.01 -0.01 0.06 -0.00 -0.05 0.05 -0.01 -0.01 0.06 0.00 -0.21 0.08 0.00 0.02 -0.04 -0.05 -0.01 -0.20 -0.29 0.17 -0.04 0.02 0.16 -0.04 0.03 0.05 0.05 -0.00 0.15 -0.09 0.01 0.15 -0.09 -0.00 0.18 0.30 -0.02 0.02 -0.04 0.06 0.16 -0.05 -0.03 0.17 -0.04 -0.02 0.00 -0.17 0.31 -0.00 -0.00 -0.00 -0.00 0.00 0.20 0.00 0.00 0.47 -0.00 -0.00 -0.12 0.06 0.11 0.11 -0.06 -0.11 0.11 -0.06 -0.16 -0.16 0.06 0.16 -0.16 -0.08 -0.15 0.11 -0.05 -0.09 0.04 -0.02 -0.10 -0.19 -0.05 -0.15 -0.21 -0.08 -0.15 0.09 -0.00 0.05 0.11 0.02 -0.01 -0.25 0.02 0.10 -0.19 0.05 0.09 0.04 0.08 0.15 0.11 0.05 0.15 -0.21 0.08 0.15 0.09 -0.02 0.01 -0.25 -0.00 -0.05 0.11 -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 -0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -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 0.01 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 -0.16 0.08 -0.00 0.06 -0.01 -0.00 -0.07 0.02 0.00 -0.14 0.07 0.03 -0.14 0.07 -0.03 -0.04 0.02 -0.02 -0.04 0.02 0.02 0.17 -0.09 -0.01 -0.07 0.03 -0.05 -0.09 0.04 -0.05 0.20 -0.08 -0.01 0.45 -0.22 0.00 -0.11 0.06 -0.05 -0.21 0.09 -0.06 -0.09 0.04 0.05 -0.07 0.03 0.05 0.17 -0.09 0.01 0.20 -0.08 0.01 0.45 -0.22 -0.00 -0.21 0.09 0.06 -0.11 0.06 0.05 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.07 -0.02 -0.00 0.00 -0.01 0.00 0.07 -0.02 0.00 0.05 -0.02 0.00 -0.00 0.01 0.01 0.00 0.05 0.07 -0.04 0.01 -0.01 -0.04 0.01 -0.01 -0.01 -0.01 0.00 -0.03 0.02 -0.00 -0.03 0.02 0.00 -0.04 -0.08 0.01 -0.00 0.01 -0.01 -0.04 0.01 0.01 -0.04 0.01 0.01 0.00 0.04 -0.08 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.21 0.09 0.02 0.21 -0.09 0.02 0.15 -0.06 0.02 -0.15 0.06 0.02 -0.15 0.07 -0.02 0.09 -0.04 0.01 0.04 -0.03 0.00 -0.16 0.08 -0.02 -0.52 0.25 -0.06 0.05 -0.03 0.00 0.01 -0.01 0.00 -0.04 0.03 0.00 -0.09 0.04 0.01 0.15 -0.07 -0.02 0.16 -0.08 -0.02 0.52 -0.25 -0.06 -0.01 0.01 0.00 -0.05 0.03 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.08 -0.00 -0.01 0.01 -0.01 -0.00 -0.08 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 0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.13 0.06 0.01 0.13 -0.06 0.01 -0.15 0.07 -0.01 0.15 -0.07 -0.01 0.06 -0.04 0.00 -0.15 0.07 -0.02 0.15 -0.06 0.01 -0.08 0.05 -0.01 0.09 -0.05 0.00 -0.29 0.14 -0.04 0.47 -0.22 0.06 -0.15 0.06 0.01 0.15 -0.07 -0.02 -0.06 0.04 0.00 0.08 -0.05 -0.01 -0.09 0.05 0.00 -0.47 0.22 0.06 0.29 -0.14 -0.03 -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 0.01 -0.01 0.01 0.00 0.00 0.01 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.07 0.00 -0.05 -0.04 0.00 0.24 -0.06 0.00 -0.00 0.01 0.02 -0.00 0.01 -0.02 -0.15 0.09 -0.02 -0.15 0.09 0.02 0.10 -0.02 -0.00 -0.13 0.06 -0.00 0.10 -0.05 0.04 -0.05 0.01 0.01 0.30 -0.11 0.01 -0.16 0.04 -0.02 0.42 -0.19 0.07 0.10 -0.05 -0.04 -0.13 0.06 0.00 0.10 -0.02 0.00 -0.05 0.01 -0.01 0.30 -0.11 -0.01 0.42 -0.19 -0.07 -0.16 0.04 0.02 0.03 -0.00 0.00 0.02 -0.01 0.00 0.02 -0.01 -0.00 0.05 -0.01 -0.00 0.05 -0.01 0.00 -0.05 0.01 0.00 -0.02 -0.00 0.00 -0.05 0.01 -0.00 -0.02 -0.00 -0.00 -0.07 0.03 -0.00 -0.01 -0.01 -0.02 -0.02 -0.07 -0.10 0.04 -0.01 0.00 0.04 -0.02 0.00 0.00 0.03 -0.00 0.04 -0.01 0.00 0.04 -0.01 -0.00 0.05 0.11 -0.01 -0.01 -0.01 0.03 0.04 -0.02 -0.00 0.04 -0.01 -0.00 -0.02 -0.05 0.11 0.01 -0.00 0.00 0.15 0.29 -0.00 0.13 0.35 -0.00 0.01 -0.14 0.00 -0.02 -0.06 -0.14 -0.02 -0.06 0.14 -0.09 -0.10 -0.03 -0.09 -0.10 0.03 -0.06 -0.18 0.14 -0.06 -0.00 0.04 0.05 -0.04 -0.16 -0.03 -0.02 -0.15 -0.03 -0.20 0.16 -0.01 0.21 0.15 0.18 -0.04 -0.18 0.05 -0.04 0.16 -0.06 -0.00 -0.04 -0.06 -0.18 -0.14 -0.03 -0.02 0.15 -0.03 -0.20 -0.16 0.18 -0.04 0.18 -0.01 0.21 -0.15 -0.01 -0.02 0.00 0.01 0.05 0.00 0.01 0.05 -0.00 0.00 0.04 -0.02 0.00 0.04 0.02 0.01 0.04 0.02 0.03 0.08 0.01 0.01 0.04 -0.02 0.03 0.08 -0.01 -0.02 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.02 -0.03 0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.01 0.04 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.01 -0.02 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 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -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 0.25 -0.05 -0.00 -0.25 0.05 -0.00 0.61 -0.12 0.00 -0.61 0.12 0.00 -0.19 0.04 0.00 -0.04 0.01 -0.01 0.19 -0.04 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 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.07 -0.00 -0.00 0.02 0.00 -0.00 -0.16 -0.05 -0.07 -0.13 0.05 0.07 -0.13 0.01 -0.01 -0.16 -0.01 0.01 -0.16 0.13 0.27 0.02 -0.03 -0.00 0.21 -0.03 -0.05 0.14 -0.12 -0.25 -0.02 0.14 0.26 -0.04 -0.12 -0.21 0.09 0.09 0.15 0.00 0.03 0.05 0.14 0.03 0.00 0.21 -0.13 -0.27 0.02 0.12 0.25 -0.02 -0.15 -0.26 -0.04 -0.09 -0.15 0.00 0.12 0.21 0.09 0.00 0.00 0.03 0.01 -0.02 -0.02 -0.01 0.02 -0.02 0.02 -0.05 -0.05 -0.02 0.05 -0.05 -0.01 -0.01 0.03 0.01 -0.04 0.04 0.01 0.01 0.03 -0.01 0.04 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 -0.02 -0.07 0.00 -0.04 -0.08 -0.00 0.00 -0.18 0.00 -0.04 -0.07 -0.09 -0.05 -0.07 0.09 -0.01 0.02 0.20 -0.01 0.02 -0.20 -0.11 -0.23 -0.03 0.03 0.02 -0.20 0.03 0.07 -0.01 0.11 0.28 0.12 -0.10 -0.24 0.08 0.10 0.14 -0.12 -0.08 -0.17 0.16 0.03 0.07 0.00 0.03 0.02 0.20 -0.11 -0.23 0.03 0.11 0.28 -0.12 -0.10 -0.24 -0.08 -0.08 -0.17 -0.16 0.10 0.14 0.12 0.00 -0.05 0.00 0.01 0.04 0.00 0.01 0.04 -0.00 0.02 0.01 -0.03 0.02 0.01 0.03 -0.01 0.03 0.03 0.05 0.10 0.00 -0.01 0.03 -0.03 0.05 0.10 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.01 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.00 0.00 0.01 0.00 -0.00 0.01 0.02 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.02 0.00 -0.00 0.00 0.00 -0.00 -0.23 -0.00 0.00 0.21 -0.00 0.00 0.29 0.05 0.18 -0.17 -0.05 -0.18 -0.17 -0.11 -0.22 0.11 0.11 0.22 0.11 0.01 0.00 -0.07 0.08 0.14 -0.12 0.05 0.14 0.13 -0.05 -0.11 0.02 -0.04 0.02 0.26 0.02 0.04 -0.19 0.06 0.17 0.11 -0.05 -0.14 0.13 -0.08 -0.14 -0.12 -0.01 -0.00 -0.07 0.05 0.11 0.02 0.04 -0.02 0.26 -0.06 -0.17 0.11 -0.02 -0.04 -0.19 -0.00 -0.00 -0.03 0.00 0.02 0.00 -0.00 -0.02 0.00 0.01 0.06 0.04 -0.01 -0.06 0.04 0.00 0.02 -0.05 0.02 0.07 -0.07 -0.00 -0.02 -0.05 -0.02 -0.07 -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 0.03 -0.01 0.00 -0.01 0.01 -0.00 -0.03 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.01 -0.01 -0.02 0.01 0.01 -0.01 0.00 0.01 0.01 -0.01 0.01 -0.01 0.00 -0.01 0.02 -0.01 -0.00 -0.03 0.01 0.00 0.01 0.01 0.01 -0.05 0.03 -0.02 -0.01 0.00 0.01 0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.02 -0.01 0.00 -0.03 0.01 -0.00 -0.05 0.03 0.02 0.01 0.01 -0.01 0.24 -0.04 0.00 -0.04 0.01 0.00 -0.04 0.01 -0.00 0.64 -0.13 0.00 0.64 -0.13 -0.00 -0.08 0.02 -0.00 -0.16 0.02 0.00 -0.08 0.02 0.00 -0.16 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.00 0.00 0.01 0.00 0.00 0.01 -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 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.35 -0.13 0.00 -0.08 0.05 -0.00 0.02 -0.04 0.00 -0.04 0.01 0.01 -0.04 0.01 -0.01 -0.15 0.05 -0.01 -0.15 0.05 0.01 -0.09 0.05 -0.01 0.06 -0.02 0.00 -0.11 0.06 -0.00 0.12 -0.08 0.01 0.17 -0.07 0.03 0.43 -0.20 0.03 -0.06 0.05 -0.01 -0.11 0.06 0.00 0.06 -0.02 -0.00 -0.09 0.05 0.01 0.12 -0.08 -0.01 0.17 -0.07 -0.03 -0.06 0.05 0.01 0.43 -0.20 -0.03 -0.02 -0.01 0.00 0.03 0.00 0.00 0.03 0.00 -0.00 -0.23 0.05 -0.01 -0.23 0.05 0.01 -0.01 0.01 0.01 0.15 0.00 -0.00 -0.01 0.01 -0.01 0.15 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.00 -0.01 -0.01 -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 0.02 -0.00 -0.01 -0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.02 0.00 -0.00 0.00 -0.03 0.01 -0.00 0.00 -0.01 0.00 -0.03 0.04 -0.00 0.01 -0.00 -0.01 0.01 -0.00 0.01 0.01 0.02 -0.01 0.01 0.02 0.01 -0.00 -0.01 0.02 0.00 -0.02 0.02 0.00 -0.01 -0.02 0.01 0.01 -0.01 -0.07 0.02 -0.01 -0.08 0.05 0.02 -0.06 0.01 -0.02 0.00 -0.01 0.02 0.00 -0.02 -0.02 -0.00 -0.01 -0.02 0.01 0.01 0.01 -0.07 0.02 0.00 -0.06 0.01 0.02 -0.08 0.05 -0.02 0.20 -0.03 0.00 0.11 -0.03 -0.00 0.11 -0.03 0.00 -0.63 0.13 0.01 -0.63 0.13 -0.01 -0.12 0.02 -0.01 -0.14 0.01 -0.00 -0.12 0.02 0.01 -0.14 0.01 0.00 -0.00 0.00 -0.00 0.01 0.01 0.01 0.01 0.01 0.02 0.01 0.01 0.01 0.01 0.01 0.01 -0.00 -0.02 0.00 -0.00 -0.02 0.00 -0.00 -0.02 0.00 -0.00 -0.02 0.00 0.01 0.01 -0.01 0.00 0.01 -0.01 0.00 0.01 -0.02 0.01 0.01 -0.02 -0.00 0.00 -0.00 0.01 -0.11 0.00 -0.06 -0.11 0.00 0.12 0.28 -0.00 0.02 0.06 -0.12 0.02 0.06 0.12 0.05 0.18 -0.06 0.05 0.18 0.06 -0.07 -0.08 0.13 -0.05 -0.11 0.16 -0.05 -0.10 -0.16 0.09 0.13 -0.04 -0.04 -0.09 -0.05 0.06 0.11 0.30 -0.08 -0.11 -0.15 -0.05 -0.09 0.16 -0.05 -0.12 -0.16 -0.07 -0.08 -0.13 0.09 0.13 0.04 -0.04 -0.09 0.05 -0.08 -0.11 0.15 0.06 0.11 -0.30 -0.08 0.14 -0.00 -0.05 -0.08 -0.01 -0.05 -0.08 0.01 0.12 -0.04 0.07 0.12 -0.04 -0.07 0.04 -0.05 -0.08 -0.01 -0.19 -0.03 0.04 -0.05 0.08 -0.01 -0.19 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 -0.01 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 -0.07 0.04 0.01 0.07 -0.04 0.01 -0.16 0.08 -0.02 0.16 -0.08 -0.02 -0.01 0.01 -0.00 0.09 -0.04 0.01 -0.03 0.01 -0.00 0.08 -0.03 0.01 -0.35 0.17 -0.03 -0.35 0.16 -0.03 -0.34 0.15 -0.04 0.03 -0.01 -0.00 -0.09 0.04 0.01 0.01 -0.01 -0.00 -0.08 0.03 0.01 0.35 -0.17 -0.03 0.34 -0.15 -0.04 0.35 -0.16 -0.03 -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 0.00 -0.00 0.00 -0.08 0.01 0.01 -0.00 0.00 0.00 0.08 -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 -0.02 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 0.03 -0.01 -0.00 0.03 -0.01 0.00 -0.06 0.02 -0.00 -0.06 0.02 0.00 0.01 -0.00 -0.00 0.04 -0.02 0.00 0.00 -0.00 0.00 0.02 -0.01 0.00 -0.20 0.09 -0.01 -0.26 0.12 -0.03 -0.18 0.08 -0.02 0.00 -0.00 -0.00 0.04 -0.02 -0.00 0.01 -0.00 0.00 0.02 -0.01 -0.00 -0.20 0.09 0.01 -0.18 0.08 0.02 -0.26 0.12 0.03 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 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.11 -0.04 0.00 -0.07 -0.09 -0.17 -0.06 -0.05 -0.10 -0.13 -0.10 -0.23 -0.13 -0.11 -0.22 0.04 0.20 -0.01 0.01 0.28 -0.01 0.01 0.28 -0.02 0.01 0.12 -0.01 -0.06 -0.07 0.18 -0.12 -0.09 0.23 -0.12 -0.07 0.24 -0.05 -0.04 0.11 0.01 -0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.06 0.04 -0.00 -0.03 0.02 0.00 -0.03 0.02 -0.00 0.10 -0.05 0.01 0.10 -0.05 -0.01 -0.02 0.01 0.00 -0.07 0.03 -0.00 -0.01 0.00 -0.01 -0.03 0.02 -0.00 0.29 -0.14 0.02 0.42 -0.19 0.05 0.27 -0.12 0.02 -0.01 0.00 0.01 -0.07 0.03 0.00 -0.02 0.01 -0.00 -0.03 0.02 0.00 0.29 -0.14 -0.02 0.27 -0.12 -0.02 0.42 -0.19 -0.05 0.05 0.00 0.00 0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.02 0.01 0.01 -0.02 0.01 -0.01 -0.01 0.00 -0.01 -0.08 -0.00 -0.00 -0.01 0.00 0.01 -0.08 -0.00 0.00 0.05 -0.02 0.00 -0.02 -0.04 -0.06 -0.02 -0.01 -0.02 -0.06 -0.04 -0.09 -0.06 -0.04 -0.09 0.02 0.07 -0.00 0.00 0.11 -0.00 0.00 0.11 -0.01 -0.00 0.03 -0.00 -0.02 -0.03 0.07 -0.06 -0.03 0.09 -0.05 -0.03 0.10 -0.02 -0.01 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 0.10 -0.05 -0.01 -0.10 0.05 -0.01 0.07 -0.03 0.01 -0.07 0.03 0.01 0.07 -0.03 0.01 0.02 -0.01 0.00 0.07 -0.04 0.01 -0.05 0.03 -0.01 -0.14 0.07 -0.01 -0.54 0.25 -0.05 -0.19 0.08 -0.02 -0.07 0.04 0.01 -0.02 0.01 0.00 -0.07 0.03 0.01 0.05 -0.03 -0.01 0.14 -0.07 -0.01 0.19 -0.08 -0.02 0.54 -0.25 -0.05 0.00 -0.00 0.00 -0.02 0.01 -0.00 0.02 -0.01 -0.00 0.06 -0.01 -0.01 -0.06 0.01 -0.01 -0.01 0.00 0.00 0.20 -0.02 -0.01 0.01 -0.00 0.00 -0.20 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.01 0.00 0.02 -0.01 0.00 -0.02 0.01 -0.00 0.02 -0.01 -0.00 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.03 -0.01 0.00 0.02 -0.01 0.00 0.09 -0.04 0.01 0.01 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.02 -0.00 -0.00 -0.03 0.01 0.00 -0.02 0.01 0.00 -0.01 0.00 0.00 -0.09 0.04 0.01 -0.00 -0.00 0.00 -0.11 0.03 -0.01 0.11 -0.03 -0.01 0.47 -0.10 -0.02 -0.47 0.10 -0.02 -0.03 0.01 0.01 0.48 -0.07 -0.01 0.03 -0.01 0.01 -0.48 0.07 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.04 0.02 -0.00 0.01 0.05 -0.00 0.10 0.19 -0.00 -0.04 -0.06 0.01 -0.04 -0.06 -0.01 -0.02 -0.03 -0.01 -0.02 -0.03 0.01 -0.04 -0.09 -0.01 0.04 0.06 -0.08 0.02 0.06 0.08 -0.02 -0.06 0.02 -0.05 -0.09 0.17 0.01 0.05 -0.09 -0.02 0.07 0.09 0.02 0.06 -0.08 0.04 0.06 0.08 -0.04 -0.09 0.01 -0.02 -0.06 -0.02 -0.05 -0.09 -0.17 -0.02 0.07 -0.09 0.01 0.05 0.09 0.01 0.17 -0.00 -0.01 -0.05 -0.01 -0.01 -0.05 0.01 -0.00 0.10 0.17 -0.00 0.10 -0.17 0.03 -0.02 -0.13 -0.51 -0.19 -0.03 0.03 -0.02 0.13 -0.51 -0.19 0.03 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 0.01 0.00 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 0.01 0.00 -0.01 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.22 -0.10 0.00 -0.06 0.01 -0.00 -0.05 -0.03 0.00 -0.16 0.10 0.02 -0.16 0.10 -0.02 0.09 -0.04 0.01 0.09 -0.04 -0.01 0.04 0.00 0.01 0.01 -0.02 0.02 0.07 -0.04 -0.01 -0.04 0.04 -0.01 0.10 -0.02 -0.02 -0.43 0.19 -0.02 -0.21 0.08 -0.04 0.07 -0.04 0.01 0.01 -0.02 -0.02 0.04 0.00 -0.01 -0.04 0.04 0.01 0.10 -0.02 0.02 -0.21 0.08 0.04 -0.43 0.19 0.02 -0.01 -0.02 0.00 0.00 0.01 0.00 0.00 0.01 -0.00 -0.02 -0.00 -0.02 -0.02 -0.00 0.02 0.02 -0.00 0.02 -0.34 0.09 0.02 0.02 -0.00 -0.02 -0.34 0.09 -0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -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 -0.01 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.01 -0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.01 0.01 -0.01 0.01 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 0.01 -0.01 -0.01 0.01 -0.01 -0.04 0.02 -0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.02 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.01 0.04 -0.02 -0.00 -0.00 -0.00 -0.01 -0.06 0.00 0.02 0.06 -0.00 0.02 0.44 -0.08 0.04 -0.44 0.08 0.04 0.04 -0.02 -0.02 -0.53 0.06 0.01 -0.04 0.02 -0.02 0.53 -0.06 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 0.05 -0.01 -0.00 -0.01 0.01 -0.00 0.00 0.07 -0.00 -0.05 0.00 0.01 -0.05 0.00 -0.01 0.03 -0.02 -0.00 0.03 -0.02 0.00 0.00 -0.03 0.00 0.01 0.01 -0.02 0.02 0.01 0.02 -0.04 -0.00 0.00 -0.01 -0.02 0.04 -0.10 0.06 -0.03 -0.01 0.02 0.02 0.02 0.01 -0.02 0.01 0.01 0.02 0.00 -0.03 -0.00 -0.04 -0.00 -0.00 -0.01 -0.03 -0.04 -0.01 0.02 -0.02 -0.10 0.06 0.03 0.04 0.03 -0.00 -0.01 -0.02 -0.00 -0.01 -0.02 0.00 0.03 0.01 0.04 0.03 0.01 -0.04 -0.04 0.00 -0.03 0.66 -0.16 -0.04 -0.04 0.00 0.03 0.66 -0.16 0.04 -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 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.03 0.00 -0.00 -0.02 -0.00 0.00 0.26 -0.02 -0.04 0.01 0.02 0.04 0.01 -0.02 -0.02 0.06 0.02 0.02 0.06 0.04 0.09 -0.01 -0.01 -0.02 0.04 -0.01 -0.05 -0.11 0.01 -0.01 -0.05 0.07 0.09 -0.14 0.01 0.02 0.06 0.00 -0.01 -0.15 0.01 0.05 -0.11 0.01 0.02 0.04 -0.04 -0.09 -0.01 -0.01 0.01 -0.05 -0.07 -0.09 -0.14 -0.00 0.01 -0.15 -0.01 -0.02 0.06 0.00 -0.00 -0.08 -0.03 -0.16 0.18 0.03 0.16 0.18 -0.11 -0.12 0.23 0.11 0.12 0.23 -0.04 -0.11 -0.15 0.19 -0.13 -0.19 0.04 0.11 -0.15 -0.19 0.13 -0.19 -0.00 -0.00 -0.03 0.05 0.00 0.01 0.06 0.10 0.21 -0.08 0.01 0.03 -0.11 -0.01 -0.09 0.00 -0.00 -0.02 0.02 0.11 0.02 -0.02 -0.09 0.04 -0.00 -0.01 0.05 -0.05 0.00 0.01 0.11 -0.00 -0.09 0.09 -0.00 0.02 -0.05 -0.08 0.24 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.03 0.00 0.00 -0.00 -0.00 -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 0.00 0.01 0.01 -0.00 0.00 0.01 -0.01 -0.01 0.02 -0.00 -0.00 -0.01 -0.00 0.00 0.02 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.01 0.01 0.01 0.02 0.00 -0.00 0.02 0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 0.02 -0.03 -0.00 -0.02 -0.03 0.01 0.02 -0.03 -0.01 -0.02 -0.03 0.01 0.02 0.02 -0.02 0.02 0.03 -0.01 -0.02 0.02 0.03 -0.02 0.03 0.00 0.00 -0.06 0.10 0.01 0.01 0.11 0.19 0.45 -0.16 0.02 0.08 -0.23 -0.04 -0.19 0.01 -0.01 -0.05 0.02 0.24 0.04 -0.06 -0.19 0.08 -0.02 -0.07 0.11 -0.11 0.00 0.02 0.23 -0.02 -0.19 0.21 0.00 0.02 -0.12 -0.19 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 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -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 -0.02 -0.05 -0.00 0.06 -0.04 0.04 0.12 0.25 0.26 -0.20 -0.05 -0.22 -0.05 0.16 0.05 -0.09 0.08 -0.01 0.18 -0.16 0.06 0.16 -0.22 -0.04 0.18 0.60 -0.03 0.03 -0.05 -0.03 -0.00 0.15 -0.11 -0.14 -0.03 0.24 0.09 0.18 -0.18 -0.00 -0.00 -0.00 -0.00 0.00 0.04 0.00 -0.00 -0.03 -0.00 0.00 0.38 -0.02 -0.05 0.02 0.02 0.05 0.02 -0.03 -0.03 0.09 0.03 0.03 0.09 0.06 0.13 -0.01 -0.01 -0.02 0.04 -0.02 -0.08 -0.17 0.00 -0.02 -0.07 0.09 0.13 -0.20 0.01 0.07 0.08 0.02 -0.04 -0.21 0.02 0.08 -0.17 0.01 0.02 0.04 -0.06 -0.13 -0.01 -0.00 0.02 -0.07 -0.09 -0.14 -0.20 -0.02 0.04 -0.21 -0.01 -0.07 0.08 -0.00 0.00 0.08 0.04 0.21 -0.17 -0.04 -0.21 -0.17 0.07 0.31 -0.07 -0.07 -0.31 -0.07 0.02 0.12 0.08 -0.01 0.04 0.13 -0.02 -0.12 0.08 0.01 -0.04 0.13 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.02 0.01 -0.00 -0.01 0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.00 -0.00 0.01 0.01 -0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 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 -0.04 -0.05 -0.13 0.09 0.09 0.08 0.37 -0.15 -0.26 -0.24 0.00 0.00 0.08 -0.08 -0.37 -0.09 0.08 0.36 -0.14 -0.00 -0.01 -0.17 -0.02 -0.07 -0.04 0.14 0.23 -0.28 -0.07 -0.04 0.38 0.05 0.14 0.07 -0.00 0.00 0.00 -0.00 0.00 0.46 0.00 -0.00 -0.12 0.00 0.00 -0.00 0.00 -0.07 0.18 -0.00 0.07 0.18 -0.01 -0.02 -0.00 0.01 0.02 -0.00 0.03 0.05 -0.09 0.08 0.10 -0.26 0.01 0.04 0.07 -0.09 -0.20 -0.01 0.06 0.05 -0.14 -0.05 -0.08 -0.40 -0.01 0.03 0.08 -0.01 -0.04 0.07 -0.08 -0.10 -0.26 -0.03 -0.05 -0.09 0.09 0.20 -0.01 -0.06 -0.05 -0.14 0.01 -0.03 0.08 0.05 0.08 -0.40 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 -0.00 0.00 -0.00 0.02 -0.01 -0.01 0.00 -0.00 -0.00 -0.02 0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 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 0.02 -0.01 -0.00 -0.02 0.01 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 0.05 -0.02 0.00 0.04 -0.01 0.00 -0.10 0.04 -0.01 0.01 -0.01 0.00 -0.28 0.13 -0.02 -0.15 0.08 -0.01 0.55 -0.25 0.06 0.10 -0.04 -0.01 -0.04 0.01 0.00 -0.05 0.02 0.00 -0.01 0.01 0.00 0.27 -0.13 -0.02 -0.54 0.25 0.06 0.14 -0.08 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.03 0.01 0.00 -0.03 0.01 -0.00 0.02 -0.01 0.00 0.02 -0.01 -0.00 0.04 -0.02 0.00 0.04 -0.02 0.01 -0.10 0.04 -0.01 0.01 -0.00 0.00 -0.23 0.12 -0.02 -0.18 0.09 -0.02 0.55 -0.25 0.06 -0.11 0.04 0.01 0.04 -0.02 -0.01 0.04 -0.02 -0.00 0.01 -0.00 -0.00 -0.24 0.12 0.02 0.55 -0.25 -0.06 -0.18 0.09 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.04 0.00 -0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.05 0.17 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.03 0.04 -0.04 0.03 0.04 0.04 -0.03 -0.06 0.01 0.01 0.02 -0.02 0.00 0.03 0.04 -0.02 -0.04 0.01 -0.06 -0.05 0.08 0.03 0.06 0.00 0.03 0.03 0.03 0.00 0.03 -0.04 0.01 0.02 0.02 -0.03 -0.06 -0.01 -0.02 -0.04 -0.01 -0.06 -0.05 -0.08 0.03 0.03 -0.03 0.03 0.06 -0.00 -0.01 -0.03 0.00 -0.00 -0.00 -0.02 -0.00 -0.00 0.02 -0.08 -0.39 -0.49 -0.08 -0.39 0.49 0.00 -0.01 0.15 -0.03 0.11 0.12 0.00 -0.01 -0.15 -0.03 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 -0.01 0.00 0.01 -0.02 -0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.02 -0.01 0.02 -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 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.08 -0.01 -0.11 -0.01 0.07 0.17 0.06 -0.23 -0.14 -0.43 -0.02 0.18 0.07 0.03 0.04 0.10 -0.11 -0.26 -0.08 0.04 0.47 -0.11 -0.03 -0.09 -0.14 -0.02 0.08 -0.09 0.19 -0.02 -0.19 0.24 0.07 -0.28 -0.05 -0.12 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 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.00 -0.01 0.02 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.03 -0.08 -0.03 -0.04 0.01 0.11 -0.01 -0.02 -0.21 0.12 -0.01 -0.09 0.28 0.20 0.35 0.08 0.08 -0.04 -0.06 0.43 -0.01 -0.12 0.15 0.05 -0.07 -0.22 0.07 -0.04 -0.08 -0.06 0.18 0.23 -0.35 -0.05 -0.05 0.36 0.04 0.11 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 -0.02 0.01 0.00 0.02 -0.01 0.00 0.01 -0.01 0.00 -0.01 0.01 0.00 -0.09 0.04 -0.01 0.07 -0.03 0.01 -0.02 0.01 -0.00 -0.00 0.00 0.00 0.50 -0.24 0.03 -0.35 0.17 -0.03 0.14 -0.06 0.02 0.02 -0.01 -0.00 -0.07 0.03 0.01 0.09 -0.04 -0.01 0.00 -0.00 0.00 -0.50 0.24 0.03 -0.14 0.06 0.02 0.35 -0.17 -0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.04 0.02 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.03 -0.02 -0.00 0.03 -0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.09 0.04 -0.01 0.07 -0.03 0.01 -0.02 0.01 -0.00 -0.00 -0.00 0.00 0.52 -0.25 0.03 -0.33 0.16 -0.03 0.12 -0.05 0.01 -0.02 0.01 0.00 0.07 -0.03 -0.01 -0.09 0.04 0.01 -0.00 -0.00 -0.00 0.52 -0.25 -0.03 0.12 -0.05 -0.01 -0.33 0.16 0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.02 -0.00 -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 0.01 -0.01 -0.00 0.07 -0.01 -0.03 -0.02 -0.00 -0.01 0.02 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.01 0.01 0.00 0.07 0.00 0.01 0.02 0.01 0.03 -0.02 -0.00 0.00 0.03 0.02 0.08 0.00 -0.02 -0.08 0.00 0.07 0.38 0.36 -0.07 -0.38 0.36 -0.02 -0.07 -0.04 -0.03 -0.44 0.09 0.02 0.07 -0.04 0.03 0.44 0.09 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.00 0.00 0.01 -0.03 0.00 0.01 0.03 0.01 0.02 0.05 0.01 0.02 -0.05 0.03 0.07 0.05 0.04 0.08 -0.09 -0.04 -0.12 -0.09 -0.03 -0.05 0.04 0.02 0.07 0.45 0.14 0.29 0.01 -0.16 -0.32 0.05 -0.04 -0.12 0.09 0.04 0.08 0.09 0.03 0.07 -0.05 -0.03 -0.05 -0.04 0.02 0.07 -0.44 -0.16 -0.32 -0.05 0.14 0.28 -0.01 -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 -0.01 0.00 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 -0.00 0.00 0.09 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 -0.03 0.00 0.00 0.01 0.00 -0.00 -0.05 0.00 0.01 -0.02 -0.00 -0.01 -0.02 0.01 0.02 0.01 -0.01 -0.02 0.01 0.02 0.05 0.05 0.03 0.05 -0.06 -0.04 -0.10 -0.06 -0.01 -0.02 0.05 0.00 0.05 0.53 0.09 0.20 0.01 -0.15 -0.30 0.07 0.04 0.10 -0.06 -0.03 -0.05 -0.07 -0.02 -0.06 0.05 0.01 0.02 0.05 -0.00 -0.05 0.54 0.15 0.31 0.07 -0.10 -0.21 0.01 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.01 0.00 -0.01 -0.05 -0.04 0.01 0.05 -0.04 0.00 0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.01 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.02 -0.00 -0.01 0.00 0.00 -0.01 -0.04 0.03 -0.02 -0.04 -0.03 -0.02 -0.04 -0.00 -0.02 -0.04 0.00 0.02 0.05 0.02 -0.01 -0.03 0.01 -0.01 -0.01 -0.01 0.03 0.06 0.00 0.01 0.05 0.22 -0.09 -0.21 -0.10 -0.02 -0.06 0.02 -0.01 -0.01 0.01 -0.01 -0.03 -0.01 0.02 0.05 -0.02 0.03 0.06 -0.00 0.01 0.05 -0.22 -0.02 -0.06 -0.02 -0.09 -0.20 0.10 0.01 0.05 -0.00 0.01 0.03 -0.04 0.01 0.03 0.04 -0.03 -0.16 -0.28 -0.03 -0.16 0.28 -0.00 -0.01 -0.03 -0.01 -0.19 0.04 -0.00 -0.01 0.03 -0.01 -0.19 -0.03 0.11 -0.04 0.00 -0.06 0.03 0.01 -0.08 -0.13 -0.23 0.17 0.03 0.05 0.14 -0.04 0.10 -0.07 0.01 0.00 0.11 -0.14 0.05 0.11 -0.14 -0.04 0.07 0.27 -0.02 -0.06 0.03 -0.01 0.14 -0.05 -0.10 0.17 0.02 -0.06 -0.07 -0.10 0.25 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.02 0.00 -0.02 0.00 -0.00 0.01 0.04 -0.03 0.01 0.04 0.03 0.02 0.03 0.01 0.02 0.03 -0.01 -0.02 -0.04 -0.02 0.01 0.03 -0.00 0.00 0.01 0.01 -0.02 -0.05 -0.00 -0.00 -0.04 -0.23 0.09 0.21 0.10 0.03 0.06 -0.02 0.00 0.01 -0.01 0.01 0.03 0.00 -0.02 -0.04 0.02 -0.02 -0.05 0.00 -0.00 -0.04 0.23 0.03 0.06 0.02 0.09 0.21 -0.10 -0.01 -0.04 0.00 -0.00 -0.01 0.03 -0.00 -0.01 -0.03 0.03 0.13 0.21 0.03 0.13 -0.21 0.00 0.00 0.02 0.01 0.12 -0.02 0.00 0.00 -0.02 0.01 0.12 0.02 0.12 -0.05 0.00 -0.07 0.04 0.01 -0.09 -0.15 -0.26 0.19 0.03 0.06 0.16 -0.05 0.11 -0.08 0.01 0.00 0.12 -0.15 0.06 0.12 -0.16 -0.05 0.08 0.30 -0.02 -0.07 0.03 -0.02 0.16 -0.06 -0.11 0.19 0.03 -0.07 -0.08 -0.12 0.28 0.00 -0.00 0.00 -0.00 -0.00 0.06 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.02 0.05 -0.00 -0.02 -0.04 -0.00 -0.02 -0.06 -0.02 0.02 0.06 -0.02 0.03 0.07 0.02 -0.02 -0.06 -0.02 -0.00 0.00 0.00 0.04 0.08 -0.01 0.02 0.08 0.26 -0.21 -0.51 -0.28 -0.01 -0.04 0.03 0.00 -0.00 0.00 0.03 0.06 -0.02 -0.03 -0.07 0.02 -0.04 -0.08 -0.01 -0.02 -0.08 0.26 0.01 0.04 0.03 0.21 0.51 -0.28 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.02 0.00 0.03 -0.03 0.00 0.01 0.00 0.01 0.05 -0.02 -0.00 -0.01 0.00 -0.01 -0.05 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.02 0.00 -0.02 -0.06 -0.00 0.01 0.03 -0.04 0.01 0.03 0.04 -0.00 0.00 0.04 -0.00 0.00 -0.04 0.00 -0.01 -0.03 0.01 0.03 0.00 -0.00 -0.01 -0.01 -0.02 -0.04 -0.00 0.02 -0.01 -0.35 0.11 0.27 0.14 -0.01 -0.00 -0.02 -0.00 -0.01 0.01 0.01 0.03 -0.00 0.00 -0.01 0.03 -0.02 -0.04 0.00 0.02 -0.00 0.35 -0.01 -0.00 0.02 0.12 0.27 -0.14 0.01 0.04 -0.00 0.02 0.08 -0.07 0.02 0.08 0.07 -0.03 -0.13 -0.34 -0.03 -0.13 0.34 -0.01 -0.03 -0.06 -0.02 -0.33 0.04 -0.01 -0.03 0.06 -0.02 -0.33 -0.04 -0.01 0.01 0.00 0.01 -0.00 -0.00 0.01 0.01 0.02 -0.02 -0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.01 0.00 -0.01 -0.03 0.00 0.01 -0.00 0.00 -0.01 0.01 0.01 -0.02 -0.00 0.00 0.01 0.01 -0.03 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 0.02 -0.01 -0.03 -0.02 -0.02 -0.04 0.04 -0.02 -0.04 -0.04 0.01 0.02 -0.02 -0.00 0.01 0.03 -0.00 -0.00 -0.01 0.01 0.02 0.00 0.02 0.02 -0.22 0.05 0.12 0.10 -0.01 -0.02 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.03 0.01 0.02 0.02 0.01 0.02 -0.00 0.02 0.02 0.22 -0.01 -0.02 -0.00 0.05 0.12 -0.10 0.01 0.04 -0.00 -0.02 -0.12 -0.01 -0.02 -0.12 0.01 -0.06 -0.29 -0.20 -0.06 -0.29 0.20 0.02 0.08 -0.07 0.06 0.46 -0.21 0.02 0.08 0.07 0.06 0.46 0.21 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.02 -0.00 0.02 0.05 -0.00 0.02 0.05 -0.00 -0.03 -0.08 0.15 -0.03 -0.08 -0.15 -0.02 -0.04 -0.01 -0.02 -0.04 0.01 0.01 0.00 -0.04 -0.00 0.01 0.07 -0.01 -0.03 0.01 0.02 0.06 0.03 0.01 -0.00 -0.11 0.17 0.42 0.31 -0.10 -0.18 0.12 -0.01 -0.03 -0.01 -0.00 0.01 -0.07 0.01 0.00 0.04 0.02 0.06 -0.03 0.01 -0.00 0.11 -0.10 -0.18 -0.12 0.17 0.42 -0.31 0.00 0.01 -0.00 0.00 0.02 0.02 0.00 0.02 -0.02 0.02 0.12 0.15 0.02 0.12 -0.15 -0.00 -0.02 0.07 -0.02 -0.16 0.13 -0.00 -0.02 -0.07 -0.02 -0.16 -0.13 -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 0.01 -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 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.00 -0.00 -0.00 -0.00 -0.00 0.10 -0.04 -0.07 -0.01 0.04 0.07 -0.01 0.04 0.09 0.00 -0.04 -0.09 0.00 -0.03 -0.06 0.03 -0.01 -0.03 -0.01 0.02 0.03 -0.02 -0.02 -0.06 -0.01 -0.06 -0.07 0.46 -0.10 -0.22 -0.12 0.17 0.31 -0.21 -0.02 -0.03 -0.02 0.01 0.03 -0.01 0.03 0.06 0.03 0.02 0.06 -0.01 0.06 0.07 0.46 -0.17 -0.31 -0.21 0.10 0.22 -0.12 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.03 0.00 0.02 -0.03 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -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 0.05 0.12 -0.00 -0.03 -0.05 -0.14 -0.03 -0.05 0.14 -0.05 -0.08 0.10 -0.05 -0.08 -0.10 0.04 0.08 -0.01 0.01 0.03 -0.02 -0.01 -0.02 -0.02 0.01 0.01 -0.04 0.08 0.09 -0.45 -0.08 -0.22 -0.17 -0.05 -0.09 0.02 -0.01 -0.02 0.02 0.01 0.03 0.02 0.04 0.08 0.01 0.01 0.01 0.04 0.08 0.09 0.45 -0.05 -0.09 -0.02 -0.08 -0.22 0.17 0.02 0.10 -0.00 -0.01 -0.05 0.03 -0.01 -0.05 -0.03 0.00 0.03 0.15 0.00 0.03 -0.15 0.00 0.01 0.11 -0.03 -0.20 0.21 0.00 0.01 -0.11 -0.03 -0.20 -0.21 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 0.01 -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 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -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 0.31 -0.01 0.01 -0.07 -0.08 -0.23 -0.15 -0.16 -0.01 -0.15 -0.20 -0.24 -0.26 -0.00 -0.02 -0.11 0.16 0.20 0.07 -0.15 -0.28 0.12 -0.01 -0.02 0.32 -0.01 -0.04 -0.08 0.17 0.24 -0.32 0.15 -0.02 -0.05 0.09 0.25 -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 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.01 -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 0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.29 -0.06 -0.04 -0.09 0.04 0.07 0.17 -0.25 -0.04 -0.11 -0.38 -0.06 0.16 0.09 -0.01 -0.06 0.02 0.00 -0.36 -0.06 0.05 -0.28 0.07 -0.10 -0.25 -0.03 -0.04 -0.09 -0.00 -0.11 0.09 -0.03 -0.06 -0.06 0.42 0.06 0.14 0.26 -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 0.01 -0.05 0.00 0.01 0.05 0.00 -0.03 -0.15 0.00 -0.03 0.15 -0.00 0.01 0.06 0.01 0.01 -0.03 0.00 0.02 0.06 0.01 0.02 -0.01 0.02 0.01 -0.23 0.00 -0.01 -0.05 -0.24 -0.44 0.39 0.00 0.02 -0.06 0.01 0.01 0.03 -0.00 0.01 -0.06 0.01 0.02 0.01 0.02 0.01 0.23 -0.24 -0.44 -0.39 0.00 -0.01 0.05 -0.01 -0.04 -0.00 0.00 0.01 -0.00 0.00 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 0.02 -0.00 -0.00 -0.02 0.02 0.07 -0.06 -0.00 -0.00 0.02 0.02 0.07 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 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.02 0.00 -0.00 0.02 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.08 0.00 -0.00 -0.01 -0.00 0.00 0.12 -0.02 -0.03 -0.06 0.02 0.03 -0.06 0.01 -0.00 -0.12 -0.01 0.00 -0.12 -0.01 -0.02 0.01 -0.01 -0.03 -0.00 0.01 0.02 0.03 0.01 0.02 0.02 -0.02 -0.02 0.12 0.06 0.15 0.10 -0.08 -0.15 0.16 -0.01 -0.02 0.03 0.01 0.03 -0.00 0.01 0.02 0.01 -0.01 -0.01 0.02 0.02 0.02 0.12 0.08 0.15 0.16 -0.06 -0.15 0.10 -0.00 -0.00 0.11 -0.01 -0.05 -0.05 0.01 0.05 -0.05 0.05 0.23 0.28 -0.05 -0.23 0.28 -0.00 -0.01 -0.02 0.06 0.43 -0.19 0.00 0.01 -0.02 -0.06 -0.43 -0.19 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.13 -0.00 -0.00 -0.02 -0.00 -0.00 0.09 -0.03 -0.04 -0.10 0.03 0.04 -0.10 -0.01 -0.06 -0.11 0.01 0.06 -0.11 -0.01 -0.01 0.04 -0.03 -0.06 -0.02 0.03 0.06 -0.03 -0.00 0.02 0.10 -0.01 -0.01 0.03 0.08 0.20 0.13 0.01 -0.01 0.03 -0.03 -0.06 -0.03 0.03 0.06 -0.02 0.01 0.01 0.04 0.00 -0.02 0.10 0.01 0.01 0.03 -0.01 0.01 0.03 -0.08 -0.20 0.13 0.00 -0.00 -0.09 0.01 0.06 0.05 -0.01 -0.06 0.05 -0.06 -0.26 -0.33 0.06 0.26 -0.33 0.00 0.03 -0.00 -0.05 -0.39 0.16 -0.00 -0.03 -0.00 0.05 0.39 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 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.02 0.05 -0.00 0.03 0.12 -0.00 -0.08 -0.14 -0.04 -0.08 -0.14 0.05 0.05 0.12 0.10 0.05 0.12 -0.10 0.01 -0.01 -0.13 0.04 0.11 0.09 -0.05 -0.10 0.10 0.03 0.02 -0.18 0.01 -0.02 0.05 -0.08 -0.20 -0.08 -0.09 -0.12 0.11 -0.05 -0.10 -0.10 0.04 0.11 -0.09 0.01 -0.01 0.13 0.03 0.02 0.18 0.01 -0.02 -0.05 -0.09 -0.12 -0.11 -0.08 -0.20 0.08 -0.04 -0.19 0.00 0.02 0.11 -0.01 0.02 0.11 0.01 0.02 0.09 -0.06 0.02 0.09 0.06 -0.02 -0.09 -0.08 0.05 0.34 -0.26 -0.02 -0.09 0.08 0.05 0.34 0.26 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.26 0.00 0.00 -0.01 -0.00 0.00 0.10 0.07 0.16 -0.11 -0.07 -0.16 -0.11 0.07 0.14 0.02 -0.07 -0.14 0.02 0.00 -0.03 -0.19 0.01 0.05 0.12 -0.05 -0.08 0.13 0.04 0.04 -0.15 -0.03 -0.04 0.37 0.04 0.11 0.17 -0.03 -0.01 0.08 0.05 0.08 0.13 -0.01 -0.05 0.12 0.00 0.03 -0.19 -0.04 -0.04 -0.15 0.03 0.04 0.37 0.03 0.01 0.08 -0.04 -0.11 0.17 -0.00 -0.00 -0.05 0.01 0.04 0.03 -0.01 -0.04 0.03 -0.03 -0.13 -0.18 0.03 0.13 -0.18 -0.00 0.00 0.00 -0.03 -0.19 0.08 0.00 -0.00 0.00 0.03 0.19 0.08 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.09 0.23 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.06 -0.11 0.02 -0.06 -0.11 -0.02 0.01 0.04 0.08 -0.01 -0.04 -0.05 0.03 0.05 -0.11 -0.01 0.01 0.12 0.04 0.05 -0.30 -0.00 -0.02 -0.04 0.09 0.14 -0.17 0.03 0.05 0.11 -0.01 -0.04 0.05 0.01 0.04 -0.08 -0.01 0.01 -0.12 0.04 0.05 0.30 0.09 0.14 0.17 -0.00 -0.02 0.04 -0.04 -0.17 0.00 0.03 0.13 0.00 0.03 0.13 -0.00 0.02 0.11 -0.04 0.02 0.11 0.04 -0.02 -0.12 -0.05 0.05 0.36 -0.26 -0.02 -0.12 0.05 0.05 0.36 0.26 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -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 -0.01 -0.00 0.01 -0.01 0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.12 -0.00 0.00 0.01 -0.00 0.00 0.13 -0.01 -0.03 0.06 0.01 0.04 0.06 0.03 0.04 -0.08 -0.03 -0.04 -0.08 -0.02 -0.02 0.05 0.02 0.04 -0.00 0.00 0.01 0.05 0.00 -0.01 -0.08 -0.00 -0.03 -0.11 -0.07 -0.18 -0.12 -0.22 -0.41 0.35 -0.00 -0.01 0.05 -0.02 -0.04 -0.00 0.02 0.02 0.05 -0.00 0.01 -0.08 0.00 0.03 -0.11 0.22 0.41 0.35 0.07 0.18 -0.12 0.00 -0.00 -0.02 0.01 0.04 0.03 -0.01 -0.04 0.03 -0.02 -0.11 -0.15 0.02 0.11 -0.15 -0.00 -0.00 -0.01 -0.02 -0.12 0.04 0.00 0.00 -0.01 0.02 0.12 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 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.07 -0.06 -0.04 -0.11 -0.01 0.21 0.42 0.23 -0.01 0.29 0.34 0.10 0.18 -0.00 -0.01 -0.03 0.06 0.02 0.02 -0.09 0.04 0.01 0.02 0.04 0.15 0.05 0.02 -0.10 -0.31 -0.06 0.18 -0.18 0.04 0.27 0.03 -0.12 0.40 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.07 0.01 0.04 0.04 0.03 -0.05 -0.24 -0.11 -0.19 0.03 -0.11 -0.10 -0.11 -0.09 0.00 0.14 -0.01 0.15 -0.37 -0.08 0.15 -0.36 0.12 -0.25 -0.42 0.04 0.05 0.04 -0.06 -0.15 -0.11 0.14 -0.22 0.05 0.17 -0.04 -0.25 0.21 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -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 -0.01 -0.00 -0.01 -0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.01 0.01 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.00 0.00 0.04 0.03 0.06 -0.01 -0.20 -0.29 -0.20 0.01 -0.22 -0.25 -0.10 -0.15 -0.00 -0.09 0.00 -0.11 0.30 0.06 -0.11 0.29 -0.09 0.19 0.33 -0.02 0.04 0.02 -0.07 -0.24 -0.08 0.17 -0.19 0.04 0.23 0.00 -0.17 0.32 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.03 0.02 0.12 0.32 -0.22 0.28 -0.02 0.07 -0.26 0.06 -0.11 -0.00 -0.00 -0.03 0.21 -0.19 0.04 -0.20 0.20 0.02 0.01 0.02 0.41 0.01 0.03 0.01 0.25 -0.07 -0.11 -0.27 0.02 0.08 -0.13 -0.35 -0.18 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 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 0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 0.00 0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 0.00 0.00 0.01 -0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.02 -0.01 0.00 0.01 -0.00 -0.00 -0.02 -0.01 0.00 0.00 -0.01 -0.02 0.02 0.02 0.01 0.10 0.10 0.21 -0.01 -0.26 0.07 -0.31 -0.04 -0.02 -0.01 0.01 0.14 0.08 0.12 0.18 0.05 -0.14 -0.05 -0.08 -0.03 0.03 -0.03 0.03 -0.14 0.52 -0.12 -0.35 -0.05 -0.41 0.00 -0.11 0.21 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -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 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.02 -0.03 -0.02 -0.00 -0.10 -0.16 -0.27 0.00 0.35 -0.12 0.43 0.05 -0.04 -0.02 -0.00 0.38 0.16 0.29 0.35 0.14 -0.32 -0.11 -0.18 0.03 0.00 -0.01 0.00 -0.03 0.07 -0.01 -0.02 -0.01 -0.05 0.01 0.01 0.04 0.00 -0.00 -0.00 0.00 -0.00 -0.03 -0.00 -0.00 -0.01 0.00 0.00 -0.06 -0.04 -0.09 0.05 0.04 0.09 0.05 -0.04 -0.08 0.05 0.04 0.08 0.05 0.01 0.01 -0.06 -0.03 -0.07 -0.01 -0.00 0.01 0.05 0.01 0.01 -0.06 -0.02 0.02 0.30 0.08 0.20 0.15 0.00 0.02 0.05 0.00 -0.01 0.05 0.03 0.07 -0.01 -0.01 -0.01 -0.06 -0.01 -0.01 -0.06 0.02 -0.02 0.30 -0.00 -0.02 0.05 -0.08 -0.20 0.15 -0.00 -0.00 -0.03 0.03 0.15 0.04 -0.03 -0.15 0.04 -0.02 -0.07 -0.25 0.02 0.07 -0.25 -0.03 -0.16 0.01 0.05 0.34 -0.20 0.03 0.16 0.01 -0.05 -0.34 -0.20 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.03 -0.05 0.00 0.06 -0.02 0.08 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.08 0.02 0.05 0.01 0.06 -0.00 0.02 -0.03 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 -0.00 -0.00 0.06 0.06 0.12 -0.02 -0.06 -0.12 -0.02 0.05 0.08 -0.08 -0.05 -0.08 -0.08 -0.00 0.01 0.07 0.03 0.07 -0.02 -0.02 -0.05 -0.04 -0.01 -0.00 0.10 0.03 0.00 -0.33 -0.05 -0.13 -0.15 0.10 0.17 -0.21 0.02 0.05 -0.04 -0.03 -0.07 -0.02 0.00 -0.01 0.07 0.01 0.00 0.10 -0.03 -0.00 -0.33 -0.10 -0.17 -0.21 0.05 0.13 -0.15 -0.00 -0.00 -0.02 0.02 0.12 0.03 -0.02 -0.12 0.03 -0.01 -0.04 -0.17 0.01 0.04 -0.17 -0.02 -0.13 0.01 0.04 0.32 -0.18 0.02 0.13 0.01 -0.04 -0.33 -0.18 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.01 0.01 0.00 0.00 0.00 0.02 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -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 -0.01 0.03 0.15 0.37 -0.28 0.35 -0.00 0.12 -0.35 0.03 -0.17 0.00 0.03 0.00 -0.01 -0.01 -0.02 0.03 -0.05 0.02 -0.03 -0.04 -0.03 -0.00 -0.01 -0.03 -0.32 0.04 0.17 0.32 -0.01 -0.11 0.15 0.37 0.22 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 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 -0.01 -0.07 0.01 0.02 0.02 -0.07 -0.21 0.11 -0.18 0.01 -0.11 0.15 -0.06 0.07 0.00 0.00 -0.03 0.28 -0.32 0.04 -0.28 0.31 0.02 0.01 0.03 0.54 -0.01 -0.02 0.02 -0.19 0.07 0.09 0.22 -0.03 -0.13 0.09 0.27 0.10 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.01 -0.04 0.00 0.03 0.09 0.00 0.07 0.14 -0.04 0.07 0.14 0.04 -0.06 -0.11 0.09 -0.06 -0.11 -0.09 0.01 0.00 -0.08 -0.05 -0.11 0.01 0.03 0.07 0.05 0.01 -0.00 -0.11 -0.03 0.01 0.40 0.08 0.22 0.21 -0.11 -0.17 0.24 0.03 0.07 -0.05 -0.05 -0.11 -0.01 0.01 0.00 0.08 0.01 -0.00 0.11 -0.03 0.01 -0.40 -0.11 -0.18 -0.24 0.08 0.22 -0.21 0.00 -0.01 -0.00 0.00 0.02 0.01 0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.02 -0.00 0.01 0.07 -0.04 -0.00 -0.02 0.00 0.01 0.07 0.04 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.04 -0.06 -0.07 0.00 0.07 -0.03 0.09 0.01 0.01 -0.00 -0.00 -0.09 -0.02 -0.06 -0.09 -0.02 0.07 0.04 0.07 -0.00 0.01 -0.00 0.00 -0.03 0.09 -0.02 -0.07 -0.00 -0.06 -0.00 -0.04 0.06 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 -0.01 0.01 0.01 -0.01 0.01 0.01 0.01 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.04 -0.01 -0.03 -0.02 0.01 0.01 -0.02 -0.00 -0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.04 0.01 0.01 0.02 -0.01 -0.03 0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.01 -0.00 0.01 -0.02 -0.02 -0.01 -0.10 -0.15 -0.22 0.00 0.32 -0.08 0.37 0.05 0.03 0.02 -0.00 -0.28 -0.15 -0.22 -0.27 -0.12 0.25 0.09 0.16 -0.01 0.02 -0.02 0.02 -0.09 0.36 -0.09 -0.23 -0.03 -0.30 0.00 -0.08 0.16 0.00 -0.00 -0.00 0.01 0.02 -0.00 -0.01 -0.02 0.00 0.00 -0.01 0.00 0.03 0.04 0.12 0.03 0.04 -0.12 0.00 0.03 0.11 0.00 0.03 -0.11 -0.03 -0.06 0.05 0.02 0.06 0.08 0.05 0.08 -0.10 -0.03 -0.06 -0.02 -0.03 -0.08 -0.12 -0.14 -0.32 -0.13 -0.20 -0.40 0.24 0.05 0.08 0.10 0.02 0.06 -0.08 -0.03 -0.06 -0.05 -0.03 -0.06 0.02 -0.03 -0.08 0.12 -0.21 -0.41 -0.24 -0.14 -0.32 0.13 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 -0.01 -0.02 0.02 -0.00 -0.00 -0.00 -0.01 -0.02 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.02 0.00 -0.02 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 0.01 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.01 0.01 0.00 0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.11 0.00 0.00 0.01 -0.00 0.00 0.06 0.02 0.03 0.14 -0.02 -0.03 0.14 0.01 -0.01 -0.12 -0.01 0.01 -0.12 0.03 0.05 -0.03 -0.01 -0.04 -0.08 -0.05 -0.09 0.10 0.02 0.05 0.01 0.03 0.07 0.08 0.11 0.26 0.08 0.19 0.37 -0.22 0.05 0.09 0.10 0.01 0.04 -0.08 -0.03 -0.05 -0.03 -0.02 -0.05 0.01 -0.03 -0.06 0.08 -0.19 -0.37 -0.22 -0.11 -0.26 0.08 -0.00 0.00 0.20 0.00 0.01 0.03 -0.00 -0.01 0.03 -0.02 -0.12 -0.12 0.02 0.12 -0.12 0.01 0.08 -0.10 -0.03 -0.18 0.00 -0.01 -0.08 -0.10 0.03 0.18 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.07 -0.00 -0.00 -0.01 0.00 0.00 -0.12 -0.02 -0.02 -0.09 0.02 0.02 -0.09 -0.01 0.01 0.10 0.01 -0.01 0.10 -0.02 -0.04 0.01 0.02 0.05 0.07 0.03 0.04 -0.08 -0.02 -0.04 0.01 -0.02 -0.06 -0.05 -0.09 -0.21 -0.08 -0.10 -0.21 0.09 -0.03 -0.04 -0.08 -0.02 -0.05 0.07 0.02 0.04 0.01 0.02 0.04 0.01 0.02 0.06 -0.05 0.10 0.21 0.09 0.09 0.21 -0.08 -0.00 0.00 0.42 0.02 0.09 0.07 -0.02 -0.09 0.07 -0.04 -0.21 -0.32 0.04 0.21 -0.32 0.01 0.04 -0.18 0.01 0.02 -0.20 -0.01 -0.04 -0.18 -0.01 -0.02 -0.20 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.10 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.02 0.01 0.01 0.02 -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 -0.00 0.01 -0.00 -0.01 -0.01 0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.01 -0.00 -0.01 0.01 0.06 0.31 0.00 0.02 0.08 0.35 0.02 0.08 -0.35 -0.08 -0.40 -0.14 -0.08 -0.40 0.14 -0.03 -0.16 -0.01 0.04 0.26 -0.18 -0.03 -0.16 0.00 0.04 0.26 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.03 -0.00 -0.00 0.01 0.00 -0.00 -0.02 0.09 0.18 0.01 -0.09 -0.18 0.01 0.07 0.18 0.10 -0.07 -0.18 0.10 0.05 0.12 0.09 -0.10 -0.25 -0.13 0.09 0.18 -0.02 -0.03 -0.08 -0.07 0.07 0.14 -0.07 0.11 0.29 0.19 -0.08 -0.13 0.24 -0.09 -0.19 -0.01 0.10 0.25 -0.13 -0.05 -0.12 0.09 0.03 0.08 -0.07 -0.07 -0.14 -0.07 0.08 0.13 0.24 -0.11 -0.29 0.19 0.00 0.00 0.05 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.02 0.00 0.01 -0.02 -0.00 -0.00 -0.02 0.01 0.02 -0.03 0.00 0.00 -0.02 -0.01 -0.02 -0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 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 -0.02 -0.04 0.00 0.04 0.08 -0.03 0.04 0.08 0.03 -0.03 -0.09 -0.06 -0.03 -0.09 0.06 -0.02 -0.06 -0.09 0.05 0.12 0.08 -0.03 -0.07 -0.01 0.01 0.03 0.05 -0.04 -0.07 0.10 -0.06 -0.14 -0.06 0.02 0.03 -0.09 -0.03 -0.06 0.01 0.05 0.11 -0.08 -0.02 -0.06 0.09 0.01 0.03 -0.05 -0.04 -0.07 -0.10 0.02 0.03 0.09 -0.06 -0.14 0.06 0.05 0.23 -0.00 -0.00 -0.00 -0.19 -0.00 -0.00 0.19 0.06 0.28 0.09 0.06 0.28 -0.09 -0.02 -0.13 0.08 0.07 0.43 -0.14 -0.02 -0.13 -0.08 0.07 0.43 0.14 -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 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.04 -0.00 -0.03 -0.09 0.00 -0.07 -0.14 -0.01 -0.07 -0.14 0.01 0.07 0.15 0.06 0.07 0.15 -0.06 0.04 0.09 0.06 -0.07 -0.17 -0.09 0.06 0.13 -0.01 -0.02 -0.06 -0.05 0.05 0.10 -0.06 0.08 0.20 0.13 -0.05 -0.08 0.16 0.06 0.13 0.01 -0.07 -0.17 0.09 0.04 0.09 -0.06 -0.02 -0.06 0.05 0.05 0.10 0.06 -0.05 -0.08 -0.16 0.08 0.20 -0.13 0.04 0.20 -0.00 -0.00 -0.00 -0.15 -0.00 -0.00 0.15 0.04 0.22 0.07 0.04 0.22 -0.07 -0.02 -0.10 0.06 0.05 0.35 -0.11 -0.02 -0.10 -0.06 0.05 0.35 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 -0.04 -0.10 0.00 0.03 0.07 -0.00 0.00 -0.00 -0.00 -0.06 -0.09 -0.18 -0.06 -0.09 0.18 0.03 0.03 -0.09 0.03 0.03 0.09 0.03 0.01 -0.27 -0.02 -0.01 0.13 0.09 0.15 -0.18 -0.04 -0.05 0.17 -0.01 0.02 0.31 -0.06 -0.10 0.12 -0.12 -0.25 0.12 0.09 0.15 0.18 -0.02 -0.01 -0.14 0.03 0.01 0.28 -0.04 -0.05 -0.17 -0.01 0.02 -0.32 -0.12 -0.26 -0.12 -0.06 -0.10 -0.12 -0.01 -0.05 0.00 -0.00 -0.00 0.03 -0.00 -0.00 -0.03 -0.01 -0.05 -0.01 -0.01 -0.05 0.01 0.01 0.04 -0.01 -0.02 -0.12 0.04 0.01 0.04 0.01 -0.02 -0.12 -0.04 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 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.08 -0.00 -0.00 -0.02 -0.00 -0.00 -0.03 -0.05 -0.08 -0.21 0.05 0.08 -0.21 -0.02 -0.01 0.11 0.02 0.01 0.11 -0.03 -0.01 0.30 0.01 -0.01 -0.15 -0.08 -0.13 0.17 0.04 0.05 -0.17 0.02 -0.01 -0.35 0.06 0.11 -0.11 0.12 0.24 -0.11 0.08 0.13 0.17 -0.01 0.01 -0.15 0.03 0.01 0.29 -0.04 -0.05 -0.17 -0.02 0.01 -0.35 -0.12 -0.24 -0.10 -0.06 -0.11 -0.11 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.02 0.00 -0.00 -0.01 -0.00 0.00 0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.31 0.74 -0.00 -0.20 -0.48 0.00 0.01 0.00 0.00 -0.05 -0.10 -0.06 -0.05 -0.10 0.06 0.01 0.01 -0.03 0.01 0.01 0.03 0.02 0.03 -0.07 -0.01 -0.01 0.03 0.01 0.02 -0.02 -0.01 -0.01 0.03 0.02 0.05 0.10 0.01 0.03 0.05 -0.01 -0.03 0.01 0.01 0.02 0.02 -0.01 -0.01 -0.03 0.02 0.03 0.07 -0.01 -0.01 -0.03 0.02 0.05 -0.10 -0.01 -0.03 -0.01 0.01 0.03 -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 -0.01 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 0.01 -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 -0.01 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -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 -0.04 0.00 -0.02 0.68 -0.22 0.05 -0.01 0.26 -0.02 -0.14 -0.07 0.21 0.00 -0.01 0.00 0.02 0.01 -0.03 0.02 0.01 0.03 -0.10 0.05 -0.00 0.03 -0.00 -0.02 0.10 0.07 0.14 0.01 -0.19 0.01 -0.49 0.16 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 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 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 -0.28 0.09 -0.02 0.00 -0.11 0.01 0.05 0.03 -0.09 -0.03 0.03 -0.00 -0.12 -0.05 0.20 -0.13 -0.08 -0.18 0.57 -0.28 0.00 0.03 -0.00 -0.02 0.11 0.07 0.15 0.01 -0.20 0.01 -0.51 0.17 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 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -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 0.41 -0.13 0.04 -0.01 0.16 -0.01 -0.08 -0.04 0.13 -0.03 0.03 -0.00 -0.11 -0.05 0.19 -0.12 -0.07 -0.17 0.54 -0.27 0.00 -0.03 0.00 0.02 -0.10 -0.06 -0.13 -0.01 0.18 -0.01 0.45 -0.15 -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 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.05 -0.05 -0.04 -0.39 0.12 -0.04 0.01 0.60 -0.05 -0.28 -0.17 0.49 -0.01 -0.00 0.00 0.03 0.02 -0.06 0.03 0.02 0.05 0.04 -0.02 0.00 -0.02 0.01 -0.01 0.10 0.07 0.15 -0.00 -0.21 0.01 0.13 -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 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -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 -0.11 0.03 -0.01 0.00 0.16 -0.01 -0.08 -0.05 0.14 -0.03 -0.01 0.00 0.10 0.06 -0.19 0.11 0.08 0.18 0.14 -0.07 0.00 0.05 -0.04 0.04 -0.28 -0.21 -0.43 0.01 0.58 -0.02 -0.37 0.12 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 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -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 -0.09 0.03 -0.01 0.00 0.14 -0.01 -0.06 -0.04 0.11 0.08 0.02 -0.00 -0.28 -0.16 0.51 -0.29 -0.21 -0.46 -0.36 0.18 -0.00 0.02 -0.01 0.01 -0.09 -0.07 -0.15 0.00 0.20 -0.01 -0.13 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 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 0.04 -0.00 -0.01 0.01 -0.00 0.57 -0.03 0.28 0.15 -0.49 -0.00 -0.00 -0.03 -0.11 -0.06 0.19 0.13 0.09 0.19 0.00 -0.00 -0.00 0.01 0.04 0.02 -0.17 -0.12 -0.26 0.00 -0.32 0.02 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 0.03 -0.00 -0.01 0.00 -0.00 0.39 -0.02 0.19 0.10 -0.33 0.00 0.00 0.02 0.09 0.05 -0.15 -0.09 -0.06 -0.14 0.00 -0.00 0.00 -0.02 -0.06 -0.03 0.30 0.20 0.44 -0.00 0.55 -0.03 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 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.10 0.01 -0.05 -0.03 0.09 -0.00 -0.01 -0.09 -0.30 -0.16 0.52 0.34 0.23 0.50 0.00 -0.00 -0.01 -0.01 -0.03 -0.02 0.15 0.10 0.22 -0.00 0.27 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.04 -0.05 0.00 0.00 0.00 -0.01 -0.02 -0.00 0.03 0.04 -0.10 0.11 0.40 0.63 0.01 0.03 -0.05 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.09 -0.33 0.53 -0.03 -0.04 -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 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.03 0.05 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.03 -0.04 0.09 -0.09 -0.33 -0.53 0.01 0.04 -0.05 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.02 -0.00 -0.11 -0.39 0.63 -0.03 -0.04 -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 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.05 -0.00 0.01 0.02 -0.03 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.29 0.61 0.02 -0.12 -0.18 0.39 0.01 0.05 0.07 0.00 0.00 -0.00 -0.01 -0.01 -0.02 0.02 0.04 -0.00 0.00 -0.00 0.00 -0.20 -0.43 0.01 -0.01 -0.03 0.05 0.08 0.13 0.27 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 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 -0.00 0.01 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.20 0.43 0.01 -0.09 -0.13 0.28 0.01 0.03 0.05 -0.00 -0.01 0.01 0.01 0.02 0.03 -0.03 -0.05 0.00 -0.00 0.00 -0.00 0.29 0.61 -0.02 0.01 0.05 -0.07 -0.12 -0.18 -0.40 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.00 0.01 0.02 -0.05 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.17 -0.36 -0.01 -0.16 -0.23 0.52 0.01 0.04 0.07 0.00 0.01 -0.01 -0.01 -0.02 -0.05 -0.01 -0.03 0.00 0.00 -0.00 0.00 0.16 0.35 -0.01 -0.01 -0.04 0.06 0.15 0.22 0.50 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.03 -0.00 -0.01 -0.02 0.05 0.00 0.01 0.01 0.00 -0.00 -0.00 0.17 0.35 0.01 0.15 0.22 -0.50 -0.01 -0.04 -0.06 0.00 0.01 -0.01 -0.01 -0.02 -0.05 -0.02 -0.03 0.00 0.00 -0.00 0.00 0.17 0.37 -0.01 -0.01 -0.04 0.07 0.16 0.23 0.52 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.05 -0.04 -0.01 -0.05 -0.04 -0.11 -0.53 0.46 0.11 0.53 0.46 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.05 0.05 -0.01 -0.05 -0.05 0.10 0.52 -0.46 0.10 0.52 0.46 0.00 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.05 0.06 0.24 0.66 0.01 0.02 -0.05 -0.06 -0.24 0.66 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -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 -0.02 -0.05 0.06 0.25 0.66 -0.01 -0.02 0.05 0.06 0.25 -0.65 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -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 1 1 1 6 1 1 1 6 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 43 44 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 1 1 1 6 1 1 1 6 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 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 126.90040 445.06559 0.9997 -0.02448 -1.0E-5 0.02448 0.9997 1.4E-4 0.0 -1.4E-4 1.0 asymmetric 1 0.00936 0.00717 0.00700 0.19496 0.14935 0.14589 916552.1 11.10 30.88 31.56 74.78 75.00 78.73 84.17 148.14 170.10 176.54 222.52 232.83 271.89 273.66 318.98 322.75 326.32 363.19 372.00 372.41 411.53 422.81 441.97 506.88 528.54 563.12 563.31 590.90 609.54 614.87 684.15 751.48 806.46 839.14 914.37 923.50 962.52 1006.15 1056.87 1074.80 1093.75 1117.20 1136.59 1144.21 1161.82 1200.94 1244.80 1265.23 1283.94 1303.35 1316.36 1350.79 1352.26 1352.35 1374.40 1389.45 1394.40 1442.05 1444.39 1472.13 1476.45 1476.71 1493.15 1498.93 1553.52 1562.98 1573.13 1607.44 1609.80 1613.64 1630.16 1689.47 1715.91 1735.09 1777.25 1845.95 1846.69 1853.02 1871.08 1887.89 1904.88 1911.53 1925.20 1944.95 2005.42 2006.39 2022.06 2076.31 2097.12 2097.36 2098.97 2110.98 2115.58 2115.97 2127.49 2136.97 2152.54 2172.57 2207.59 2255.65 2357.85 2371.00 2373.67 2407.75 2409.12 2588.70 4318.07 4319.15 4324.82 4473.74 4475.20 4477.27 4542.94 4545.83 4547.46 4569.34 4569.49 4633.61 4633.86 4653.94 4654.26 4756.37 4784.11 4895.76 4913.82 0.349096 0.372191 0.373135 0.291835 -1312.846674 -1312.823579 -1312.822635 -1312.903935 233.553 86.239 171.110 0.000 0.000 1.377 0.889 2.981 44.169 0.889 2.981 35.580 231.776 80.278 89.984 1 0.593 1.987 8.527 2 0.593 1.985 6.494 3 0.593 1.985 6.451 4 0.596 1.977 4.741 5 0.596 1.977 4.735 6 0.596 1.976 4.639 7 0.596 1.974 4.507 8 0.605 1.947 3.397 9 0.608 1.934 3.129 10 0.610 1.930 3.057 11 0.620 1.897 2.614 12 0.622 1.889 2.528 13 0.633 1.855 2.238 14 0.634 1.853 2.226 15 0.648 1.808 1.945 16 0.649 1.804 1.924 17 0.650 1.800 1.904 18 0.664 1.759 1.714 19 0.667 1.748 1.671 20 0.668 1.748 1.670 21 0.684 1.700 1.497 22 0.689 1.685 1.452 23 0.697 1.660 1.377 24 0.729 1.571 1.156 25 0.740 1.539 1.091 26 0.759 1.489 0.995 27 0.759 1.488 0.994 28 0.775 1.447 0.924 29 0.786 1.419 0.880 30 0.789 1.411 0.867 31 0.832 1.304 0.722 32 0.877 1.201 0.605 33 0.916 1.117 0.523 34 0.940 1.068 0.479 0.217989e+27 26.338434 60.646485 0.221780e+11 10.345923 23.822369 0.200000e+01 0.301030 0.693147 0.369054e+09 8.567090 19.726454 0.133165e+08 7.124390 16.404515 coments ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.5877 5.7186 -0.0048 5.7487 -166.8770 -148.3501 -144.8879 -6.2747 -0.0005 0.0029 -13.5053 5.0216 8.4838 -6.2747 -0.0005 0.0029 132.6434 140.9885 0.2226 46.8571 -9.5062 0.0225 -20.6002 0.3702 -0.3021 -0.1301 -5581.2528 -3156.0910 -3086.4809 -68.3105 -0.2647 -71.1448 0.5188 0.6368 -0.1906 -1617.7740 -1455.4846 -1045.3236 -0.4740 -0.4752 69.9846 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) 0 2-A -1313.1957699 0.816626 0. 0.751562 4.57E-9 6.066E-7 0.3490963 0.3721906 -1312.8235793 -1312.8226351 -1312.9039351 -10.1072713,3.8339092,6.2733621,-4.5147872,-0.6871593,-0.2702885 C01 [X(C18H19B1I1N4O1)] 0.2495301 2.2424944 0.1559532 0.5919305 0.3598182 0.0042349 0.9711526 1.1445849 0.0027528 0.0452276 -0.0113854 1.4397332 -0.708095 -0.3476802 -0.0239503 -0.9190025 -1.1147362 -0.050542 -0.062231 -0.0373262 -0.6822202 -1.1152457 0.2377873 -0.0146593 0.3866552 0.1257507 0.0040411 -0.0049101 0.0005371 0.1997931 -0.2797803 -0.1050814 -0.1599407 -0.5484143 -0.264738 -0.2404838 0.2715405 0.2744842 -0.6826429 -0.2734154 -0.1151129 0.1644386 -0.5206018 -0.265753 0.2720212 -0.3240439 -0.2232434 -0.6878392 0.5315242 0.0867932 -0.2642189 0.5539213 0.0151055 -0.2380744 -0.9294076 -0.0163869 0.2816409 0.4733689 0.0502258 0.2815217 0.4136689 -0.0152601 0.216818 1.002395 -0.0241998 0.3698933 0.0337808 0.056988 -0.0894529 0.1133149 0.1160885 -0.1025373 0.0267196 0.1537059 0.4346414 -0.2159439 -0.0582042 -0.1285512 -0.1697142 -0.2909887 -0.313358 0.0071719 -0.1800356 -0.2778862 0.1892891 0.1733887 0.0584362 0.2653319 0.3579073 0.2181938 -0.2795339 -0.0840365 0.3919316 -0.3264063 -0.1302237 0.1143035 -0.0464018 -0.5196467 0.0376569 0.6898305 0.130826 -0.7182613 0.0788439 -0.0260181 0.0011151 -0.0417841 0.0315051 0.0213884 -0.0335089 -0.0366759 0.1340542 0.0932281 -0.035154 0.0423683 -0.0403621 0.0592684 0.0557717 0.0527711 0.0506001 -0.0505373 0.0802179 -0.0162565 -0.0242777 0.003216 0.0428261 -0.0878872 0.0284173 -0.0451341 -0.1050171 0.178054 0.1762673 -0.0446577 0.2362512 0.3749399 -0.209417 0.3035359 0.0892855 0.3860152 -0.2209425 -0.0831034 0.1202426 -0.1815407 -0.3551569 0.2944259 -0.0296362 0.1659204 -0.2087795 0.0311841 0.0539047 0.0781606 0.11315 0.1279919 0.0663624 -0.0301435 -0.1924843 0.4254657 -0.2892523 -0.1095741 -0.1096754 0.0457259 -0.5006872 -0.0059977 -0.6691729 -0.1045929 -0.7740757 0.0776835 -0.0268069 -0.0073234 -0.044324 0.0315404 -0.0372994 0.0250271 0.0214994 0.1351763 0.0800594 -0.02241 0.0299053 0.0018995 0.0226553 0.1051646 -0.0198545 0.061396 -0.0846933 0.0975667 -0.0276294 -0.0393155 -0.0311748 0.0715669 -0.0407153 -0.0502977 -0.0353413 -0.0671603 -0.0263174 0.0348177 -0.0039065 -0.7338051 0.9352658 0.0294285 -0.0553874 0.0473136 0.2437123 -0.0734218 0.0156951 0.0301746 0.1599699 -0.0551936 0.172601 0.1020853 -0.142579 0.10672 -0.0674338 0.013954 -0.0362033 0.1810246 -0.0490081 -0.1851885 -0.0872704 0.122714 0.094525 0.1577114 -0.0291807 0.0019538 -0.0134392 0.0678476 0.0102395 0.0103348 0.020726 0.083133 0.1582375 -0.0278529 -0.0021327 -0.0116476 0.0723408 -0.0122473 -0.0083985 -0.023463 0.0781007 -0.1100009 -0.0720271 -0.049891 0.0020567 -0.4812502 -0.1909481 -0.2467051 0.2499922 -0.5298478 0.2364732 0.1028611 0.0567604 0.0891032 0.4736679 0.1531239 0.126989 0.1719719 0.4274933 -0.1245087 -0.0678329 0.0595717 -0.0411934 -0.4738513 0.1965439 0.2632007 -0.2467048 -0.5226643 0.244829 0.117827 -0.0495054 0.112552 0.5151172 -0.1359387 -0.1210134 -0.1544053 0.3776811 -0.0448959 0.0076913 -0.0053909 0.0868704 0.21204 0.0022176 0.0002417 0.0005846 0.2155414 -0.228291 0.0175233 -0.0500659 0.261563 -0.0829998 0.0094678 0.2967226 -0.0918126 -0.0488005 -0.3308205 0.0932282 -0.0692514 0.0258537 0.058966 0.0004276 -0.213104 0.0326014 0.0334699 0.1055539 0.0074909 0.0028405 -0.0927907 -0.0895679 -0.0271806 -0.0318396 0.0226919 0.0440264 0.0836849 -0.0448784 0.0906561 -0.0505471 0.0438122 0.0394205 -0.0198101 0.0384526 -0.0521133 -0.3930029 0.1320507 -0.0021761 -0.2322314 -0.0093816 -0.0013173 -0.0022497 0.0000188 -0.0327064 0.0979861 -0.0717146 0.0677153 0.0063898 0.0279027 0.0152902 0.0301894 0.0597557 -0.0435451 0.0980465 -0.0705149 -0.0676139 0.0076175 0.0293306 -0.0135219 -0.0296658 -0.0581822 -0.044005 -0.1699318 0.1400813 0.0007739 0.3259075 -0.0977393 0.0006773 0.0027646 -0.001409 0.0765049 -0.2284331 0.0162884 0.0458808 0.2663231 -0.0843659 -0.0057327 -0.2926818 0.0908461 -0.0523011 0.0841296 -0.043204 -0.089915 -0.0506479 0.0450999 -0.0379168 0.018337 -0.0365575 -0.0524185 0.105298 0.0077093 -0.0019276 -0.0935205 -0.089314 0.0233395 0.0306701 -0.0249875 0.0443179 -0.3316663 0.0918989 0.0677023 0.0216979 0.0596894 -0.0007085 0.2131798 -0.0320044 0.0363235 1.6491244 -0.4638302 0.0152465 -0.7880734 -0.2231724 -0.010361 -0.0064855 -0.0029759 -0.3423794 381.396002|-4.132643|288.3481266|1.5500519|-0.9897293|301.62558 0.000000364 0.000000254 -0.000003687 0.000000167 -0.000000371 -0.000000043 -0.000000203 -0.000000406 -0.000000019 0.000000611 0.000001264 0.000001055 -0.000000452 -0.000001785 0.000000932 0.000000046 0.000000468 0.000000883 -0.000000001 -0.000000626 0.000000589 0.000000338 0.000000235 0.000000678 0.000000341 0.000000173 -0.000000108 -0.000000330 -0.000000519 0.000000343 -0.000000050 -0.000000038 -0.000000478 0.000000249 -0.000000304 -0.000000352 0.000000136 -0.000000222 -0.000000033 -0.000000023 -0.000000175 0.000000039 0.000000300 0.000000133 0.000000469 -0.000000170 -0.000000586 -0.000000267 -0.000000034 -0.000000679 0.000000616 -0.000000050 -0.000000318 -0.000000568 0.000000221 -0.000000201 -0.000000326 -0.000000102 -0.000000125 0.000000041 0.000000102 -0.000000254 -0.000000041 -0.000000340 -0.000000243 -0.000000485 -0.000000481 -0.000001810 0.000000014 -0.000000236 0.000001689 0.000000106 -0.000000467 0.000000005 -0.000000074 -0.000000375 -0.000000047 -0.000000084 -0.000000388 -0.000000085 -0.000000479 -0.000000174 0.000000883 0.000001020 -0.000000043 0.000000186 -0.000000316 -0.000000285 -0.000000999 0.000000724 -0.000000445 -0.000001154 -0.000000822 0.000000331 0.000000898 -0.000000888 0.000000030 0.000000467 -0.000000108 -0.000000137 0.000000391 0.000000054 0.000000026 0.000000321 -0.000000211 -0.000000193 -0.000000101 0.000000532 0.000000412 0.000000006 0.000000041 0.000000328 0.000000158 -0.000000023 0.000000320 0.000000254 -0.000000038 0.000000272 0.000001707 0.000000888 0.000000009 0.000000280 0.000000246 -0.000000017 0.000000418 -0.000000054 0.000000022 0.000000424 0.000000120 0.000000375 0.000000433 0.000000115 425.9342699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,11,18,27,29,2;32,36,40,31;44/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(16,17)(18,19);(1,2,3);/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;4.3;/rA:44nC3O1BC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHC3CHHHCHHHCHHHI0/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s23;s27;s22s24;s29;;s31;s32;s32;s32;s31;s36;s36;s36;s31;s40;s40;s40;;/rC:-2.4189,-1.8882,-.1857;-2.8957,-3.0054,-.2717;-.9936,.7104,.0218;-2.1174,-1.0937,-1.4175;-2.1776,-1.266,1.1537;-1.5482,-.0121,1.2937;-1.486,.1657,-1.3596;-2.6066,-1.9454,2.2967;-2.4221,-1.3543,3.5386;-1.8273,-.0897,3.5857;-1.4034,.5646,2.512;-3.0805,-2.9226,2.181;-2.7398,-1.8472,4.4587;-1.6921,.4146,4.5491;-1.6577,.3951,-3.652;-2.2502,-.8626,-3.8017;-2.4905,-1.6134,-2.6596;-1.2864,.8991,-2.4821;-2.9663,-2.5959,-2.6974;-1.4793,1.0228,-4.5323;-2.5231,-1.2275,-4.7931;-.7049,2.24,.131;-.2596,4.3552,-.4013;-.2915,4.264,.9606;-.0743,5.2075,-1.0468;-.1391,5.0221,1.7219;-.5219,3.0951,-.8843;-.6201,2.7217,-1.8403;-.5721,2.9515,1.2586;-.7134,2.4544,2.1507;3.8832,-1.0807,.0153;4.4773,-.5376,1.2895;5.5248,-.8861,1.3856;4.4914,.5623,1.2988;3.9288,-.8853,2.1772;3.6844,-2.5745,.0014;3.1372,-2.9232,.8895;3.1386,-2.9069,-.8937;4.6718,-3.0773,-.0024;4.4792,-.5143,-1.2479;3.9323,-.8459,-2.1427;4.493,.5855,-1.2372;5.5269,-.8609,-1.3486;1.4862,-.164,.0212; Gaussian 16 26-Sep-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 126 C1[X(C18H19BIN4O)] UwB97XD def2TZVPP SP #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprintgfinput 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 425.9342699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,11,18,27,29,2;32,36,40,31;44/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(16,17)(18,19);(1,2,3);/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;4.3;/rA:44nC3O1BC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHC3CHHHCHHHCHHHI0/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s23;s27;s22s24;s29;;s31;s32;s32;s32;s31;s36;s36;s36;s31;s40;s40;s40;;/rC:-2.4189,-1.8882,-.1857;-2.8957,-3.0054,-.2717;-.9936,.7104,.0218;-2.1174,-1.0937,-1.4175;-2.1776,-1.266,1.1537;-1.5482,-.0121,1.2937;-1.486,.1657,-1.3596;-2.6066,-1.9454,2.2967;-2.4221,-1.3543,3.5386;-1.8273,-.0897,3.5857;-1.4034,.5646,2.512;-3.0805,-2.9226,2.181;-2.7398,-1.8472,4.4587;-1.6921,.4146,4.5491;-1.6577,.3951,-3.652;-2.2502,-.8626,-3.8017;-2.4905,-1.6134,-2.6596;-1.2864,.8991,-2.4821;-2.9663,-2.5959,-2.6974;-1.4793,1.0228,-4.5323;-2.5231,-1.2275,-4.7931;-.7049,2.24,.131;-.2596,4.3552,-.4013;-.2915,4.264,.9606;-.0743,5.2075,-1.0468;-.1391,5.0221,1.7219;-.5219,3.0951,-.8843;-.6201,2.7217,-1.8403;-.5721,2.9515,1.2586;-.7134,2.4544,2.1507;3.8832,-1.0807,.0153;4.4773,-.5376,1.2895;5.5248,-.8861,1.3856;4.4914,.5623,1.2988;3.9288,-.8853,2.1772;3.6844,-2.5745,.0014;3.1372,-2.9232,.8895;3.1386,-2.9069,-.8937;4.6718,-3.0773,-.0024;4.4792,-.5143,-1.2479;3.9323,-.8459,-2.1427;4.493,.5855,-1.2372;5.5269,-.8609,-1.3486;1.4862,-.164,.0212; chk=18_TS_tBuI.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 43 44 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 1 1 1 12 1 1 1 12 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 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 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 1 1 1 0 1 1 1 0 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 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 5830.0000000 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l101.exe) Structure from the checkpoint file: "18_TS_tBuI.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 1208 A 1060 A 1060 1656 1208 97 96 2428.6776308853 44 44 44 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 -0.0350754177 0.000000 1.217768 0.000000 2.971083 4.184690 0.000000 1.496425 2.360723 2.566980 0.000000 1.496424 2.360726 2.566977 2.577621 0.000000 2.542977 3.636847 1.564437 2.974008 1.410017 0.000000 2.542975 3.636843 1.564441 1.410016 2.974004 2.660036 0.000000 2.490137 2.793561 3.851037 3.841832 1.397175 2.421563 4.368184 0.000000 3.762414 4.179639 4.321124 4.972300 2.399083 2.757701 5.213400 1.387760 0.000000 4.219893 4.951964 3.746571 5.111120 2.724111 2.310173 4.963631 2.390004 1.398218 0.000000 3.784818 4.766648 2.527930 4.324411 2.407368 1.355589 3.892985 2.791784 2.402884 1.326898 0.000000 2.666280 2.461045 4.713474 4.149866 2.148290 3.406890 4.961469 1.092268 2.176367 3.401328 3.883714 0.000000 4.655632 4.872610 5.410847 5.956874 3.402492 3.847702 6.283040 2.168307 1.091070 2.164164 3.375294 2.541753 0.000000 5.315026 6.032035 4.590508 6.168984 3.819564 3.286402 5.917605 3.388079 2.163957 1.095851 2.062988 4.321198 2.494296 0.000000 4.219897 4.951964 3.746572 2.724112 5.111123 4.963637 2.310174 6.462556 7.439704 7.255829 6.171521 6.859650 8.484184 8.201207 0.000000 3.762418 4.179639 4.321125 2.399084 4.972304 5.213406 2.757700 6.204032 7.358798 7.439703 6.528123 6.381687 8.333261 8.466349 1.398217 0.000000 2.490141 2.793560 3.851039 1.397175 3.841835 4.368188 2.421561 4.968763 6.204030 6.462554 5.715824 5.049114 7.126485 7.530998 2.390004 1.387761 0.000000 3.784815 4.766643 2.527930 2.407365 4.324407 3.892984 1.355587 5.715819 6.528116 6.171514 5.006592 6.290365 7.604516 7.059544 1.326899 2.402882 2.791781 0.000000 2.666285 2.461045 4.713477 2.148290 4.149870 4.961475 3.406888 5.049115 6.381685 6.859648 6.290372 4.890655 7.198700 7.949748 3.401328 2.176367 1.092268 3.883711 0.000000 5.315029 6.032035 4.590506 3.819565 6.168987 5.917609 3.286401 7.531001 8.466350 8.201207 7.059550 7.949751 9.521735 9.104254 1.095850 2.163957 3.388079 2.062989 4.321199 0.000000 4.655637 4.872610 5.410847 3.402493 5.956879 6.283047 3.847702 7.126490 8.333263 8.484186 7.604524 7.198705 9.274996 9.521735 2.164163 1.091070 2.168309 3.375293 2.541754 2.494297 0.000000 4.481098 5.698821 1.560437 3.937890 3.937890 2.671145 2.671144 5.081786 5.242134 4.315382 2.994019 6.041478 6.290922 4.881313 4.315383 5.242135 5.081786 2.994017 6.041478 4.881314 6.290923 0.000000 6.609741 7.819491 3.741930 5.845944 6.139561 4.858630 4.469295 7.244628 7.266161 6.173385 4.915670 8.221467 8.260784 6.487469 5.310797 6.538377 6.760246 4.162747 7.804835 5.445874 7.455048 2.226093 0.000000 6.609753 7.819503 3.741933 6.139566 5.845961 4.469312 4.858629 6.760268 6.538400 5.310819 4.162768 7.804857 7.455071 5.445897 6.173383 7.266161 7.244631 4.915663 8.221472 6.487463 8.260785 2.226094 1.365246 0.000000 7.522475 8.718578 4.712837 6.634588 7.153483 5.907148 5.245099 8.291900 8.342386 7.252150 5.999007 9.249629 9.337280 7.543500 5.696853 7.012135 7.413775 4.700166 8.484155 5.624438 7.838416 3.254357 1.085134 2.228656 0.000000 7.522494 8.718601 4.712841 7.153494 6.634614 5.245121 5.907150 7.413810 7.012171 5.696886 4.700194 8.484191 7.838455 5.624473 7.252152 8.342392 8.291909 5.999002 9.249642 7.543498 9.337287 3.254356 2.228657 1.085133 2.775613 0.000000 5.377666 6.574651 2.594214 4.513978 5.090525 3.930807 3.120374 6.314332 6.555124 5.641597 4.326082 7.221864 7.608735 6.170646 4.029901 5.211614 5.403378 2.821245 6.453590 4.303304 6.161786 1.339913 1.374794 2.196128 2.165469 3.263743 0.000000 5.217749 6.359201 2.766252 4.120536 5.224157 4.261121 2.741241 6.545466 6.985277 6.229193 4.920277 7.354164 8.065108 6.877304 3.126093 4.399059 4.791993 2.043979 5.875060 3.297182 5.285541 2.031043 2.206554 3.214219 2.665823 4.267525 1.030974 0.000000 5.377688 6.574674 2.594220 5.090542 4.514002 3.120396 3.930816 5.403407 5.211641 4.029925 2.821269 6.453619 6.161814 4.303326 5.641607 6.555138 6.314348 4.326085 7.221883 6.170652 7.608750 1.339913 2.196127 1.374794 3.263742 2.165467 2.148269 3.107745 0.000000 5.217798 6.359253 2.766272 5.224199 4.120589 2.741288 4.261149 4.792052 4.399115 3.126143 2.044029 5.875119 5.285595 3.297223 6.229221 6.985313 6.545507 4.920294 7.354211 6.877325 8.065146 2.031046 3.214212 2.206545 4.267517 2.665809 3.107745 4.000977 1.030970 0.000000 6.356820 7.052637 5.195256 6.169271 6.169560 5.681169 5.680849 6.933215 7.228120 6.807280 6.073562 7.521741 8.012205 7.339993 6.806482 7.227361 6.932700 6.072968 7.521282 7.339043 8.011331 5.664838 6.847243 6.847354 7.505391 7.505593 6.136034 6.179033 6.136231 6.179421 0.000000 7.180444 7.930228 5.752857 7.150349 6.696053 6.048345 6.563079 7.292314 7.302586 6.724655 6.106709 7.975244 7.990351 7.042273 7.932658 8.443054 8.081040 7.036303 8.691341 8.474077 9.299406 5.992682 7.016869 6.775273 7.692967 7.239287 6.550883 6.811903 6.137659 6.052870 1.507197 0.000000 8.159427 8.839820 6.848226 8.142712 7.715263 7.127346 7.602258 8.250537 8.246710 7.715419 7.167496 8.878742 8.869681 7.986454 8.866093 9.346602 9.007641 8.033597 9.575649 9.366087 10.151877 7.082051 8.007720 7.780285 8.625475 8.191372 7.587174 7.821907 7.205210 7.117557 2.147239 1.108118 0.000000 7.480701 8.352447 5.633589 7.334606 6.916575 6.066774 6.553908 7.593756 7.515750 6.751334 6.018305 8.381944 8.251106 6.987285 7.896169 8.572835 8.315574 6.913106 9.031069 8.358393 9.461297 5.583843 6.312527 6.057408 6.922796 6.442759 6.026103 6.375230 5.598942 5.603168 2.171781 1.100010 1.781405 0.000000 6.847158 7.554211 5.605578 7.037217 6.203336 5.616099 6.552455 6.621914 6.512153 5.979107 5.535965 7.299476 7.113460 6.237849 8.174882 8.598152 8.070490 7.217477 8.615740 8.826484 9.504152 5.951964 7.187099 6.768019 7.971308 7.186918 6.710107 7.059993 5.985234 5.718815 2.171240 1.099885 1.781492 1.784267 0.000000 6.144658 6.599793 5.716180 6.153608 6.115803 5.967898 6.007871 6.726085 7.161727 7.028479 6.484017 7.115891 7.852788 7.650038 7.120695 7.253529 6.792205 6.553097 7.177452 7.756283 7.958269 6.516311 7.983646 7.968223 8.705580 8.676802 7.114925 7.069004 7.087669 7.017850 1.507113 2.537146 2.855504 3.489144 2.765389 0.000000 5.753131 6.144178 5.569548 6.023321 5.573486 5.530913 5.997873 5.993955 6.354982 6.320142 5.951000 6.350477 6.959609 6.917806 7.391068 7.434912 6.781087 6.748819 7.087049 8.141260 8.197924 6.480438 8.135108 7.963458 8.953896 8.634478 7.263311 7.309900 6.957551 6.733264 2.171583 2.765342 3.177492 3.761656 2.537318 1.099845 0.000000 5.694295 6.066998 5.567537 5.584533 5.928416 5.927072 5.571761 6.641520 7.278572 7.256775 6.654261 6.937677 8.020365 7.999502 6.443239 6.455543 6.039679 6.048884 6.373335 7.071560 7.076660 6.504801 8.032919 8.162380 8.728657 8.969503 7.030124 6.834073 7.260980 7.269757 2.171577 3.488883 3.869493 4.321146 3.760584 1.099846 1.783315 0.000000 7.192125 7.572611 6.814997 7.213214 7.178602 7.054355 7.090700 7.716369 8.113708 8.002413 7.516250 8.055466 8.737681 8.567951 8.089484 8.200814 7.778318 7.580315 8.113907 8.669918 8.839569 7.563103 8.928618 8.913808 9.604937 9.576924 8.114861 8.062915 8.089201 8.014774 2.146829 2.856088 2.730509 3.869436 3.179299 1.108069 1.781671 1.781650 0.000000 7.113410 7.845226 5.750115 6.624214 7.116619 6.560617 6.004944 8.051137 8.440687 7.957138 7.064430 8.643347 9.298190 8.517878 6.653510 7.206116 7.195688 6.063330 7.865731 6.975306 7.880924 6.030161 6.847344 7.104180 7.315407 7.797437 6.178341 6.068451 6.618935 6.879496 1.507183 2.537523 2.857762 2.764949 3.488838 2.537124 3.488868 2.765318 2.856035 0.000000 6.727091 7.401650 5.600951 6.098009 6.955060 6.522192 5.567244 7.979542 8.538955 8.158305 7.219718 8.496242 9.439115 8.831909 5.921661 6.401173 6.489059 5.513158 7.138631 6.203860 6.988654 6.016249 6.903313 7.319882 7.341492 8.120538 6.079024 5.791637 6.802770 7.134912 2.171226 3.488846 3.871256 3.760218 4.320070 2.765287 3.760517 2.537205 3.179095 1.099876 0.000000 7.416171 8.271591 5.630541 6.822747 7.324018 6.577087 5.994999 8.324516 8.624957 7.978833 6.987412 9.019390 9.522311 8.471498 6.610539 7.358267 7.458390 5.920292 8.239808 6.835053 8.071959 5.623793 6.123456 6.422792 6.500741 7.063625 5.618896 5.574103 6.122216 6.486672 2.171769 2.765079 3.179498 2.536054 3.760256 3.489106 4.321116 3.761532 3.869451 1.099997 1.784179 0.000000 8.095980 8.757800 6.845745 7.648209 8.110853 7.599979 7.087721 8.978792 9.344332 8.889706 8.060146 9.528793 10.150716 9.408797 7.648698 8.154818 8.158686 7.127718 8.772937 7.922892 8.763622 7.116209 7.847899 8.090157 8.263834 8.725865 7.242531 7.131809 7.650484 7.885333 2.147214 2.857641 2.734371 3.179115 3.871202 2.855570 3.869531 3.177625 2.730548 1.108119 1.781504 1.781447 0.000000 4.273856 5.230715 2.629454 3.990020 3.990067 3.293926 3.293870 5.010224 5.391145 4.867292 3.883923 5.755886 6.354850 5.562295 4.867139 5.391007 5.010138 3.883808 5.755818 5.562112 6.354695 3.254578 4.863088 4.863090 5.694663 5.694664 3.933721 4.028524 3.933728 4.028557 2.566253 3.270304 4.323566 3.345252 3.336942 3.262358 3.330628 3.330247 4.316932 3.269777 3.336201 3.344530 4.323132 0.000000 C18H19BIN4O(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 0 0 425.9342699999999 AuxInfo=1/0/N:9,16,8,17,10,15,23,24,5,4,1,6,7,22,3,11,18,27,29,2;32,36,40,31;44/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(16,17)(18,19);(1,2,3);/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;4.3;/rA:44nC3O1BC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHC3C3C3HHNHNHC3CHHHCHHHCHHHI0/rB:s1;;s1;s1;s3s5;s3s4;s5;s8;s9;s6s10;s8;s9;s10;;s15;s4s16;s7s15;s17;s15;s16;s3;;s23;s23;s24;s22s23;s27;s22s24;s29;;s31;s32;s32;s32;s31;s36;s36;s36;s31;s40;s40;s40;;/rC:-2.4066,-1.9156,.0011;-2.8742,-3.04,.0019;-1.0022,.7026,-.0007;-2.1406,-1.2041,-1.2882;-2.1412,-1.202,1.2894;-1.5209,.0636,1.3297;-1.5203,.0614,-1.3303;-2.5377,-1.8058,2.4854;-2.331,-1.1303,3.6799;-1.7476,.1393,3.6275;-1.3543,.7227,2.5025;-3.0046,-2.7925,2.447;-2.6231,-1.5623,4.6383;-1.5956,.7089,4.5513;-1.7458,.1334,-3.6283;-2.3292,-1.1363,-3.6789;-2.5365,-1.8099,-2.4834;-1.3531,.7186,-2.5041;-3.0035,-2.7965,-2.4436;-1.5934,.7014,-4.5529;-2.6208,-1.5699,-4.6367;-.7259,2.2384,-.0019;-.3133,4.3162,-.6861;-.3136,4.3173,.6791;-.1509,5.1242,-1.3919;-.1514,5.1265,1.3837;-.5742,3.0241,-1.0766;-.6902,2.586,-2.0026;-.5746,3.0258,1.0717;-.6911,2.5893,1.9983;3.8904,-1.0449,.0012;4.5077,-.4118,1.2217;5.5605,-.7445,1.3169;4.5113,.6862,1.1562;3.9828,-.703,2.1434;3.7058,-2.5379,.0931;3.1822,-2.83,1.0151;3.1432,-2.9346,-.7647;4.6977,-3.0317,.1003;4.4523,-.5608,-1.3108;3.8885,-.9567,-2.1682;4.4556,.5373,-1.3748;5.5008,-.9048,-1.4121;1.4854,-.1496,.0005; 0.1949557 0.1493481 0.1458880 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= 1185 1175 1176 1185 1185 MxSgAt= 44 MxSgA2= 44. 1 open 1 1 1 -1313.77576720240 -1313.90172260073 -0.125955398323 -1314.29082128757 -0.389098686845 -1314.29163225876 -0.000810971185 -1314.29169167164 -0.000059412879 -1314.29171292400 -0.000021252366 -1314.29171442797 -0.000001503964 -1314.29171496281 -0.000000534846 -1314.29171510505 -0.000000142233 -1314.29171518046 -0.000000075418 -1314.29171522530 -0.000000044838 -1314.29171524309 -0.000000017788 -1314.29171524861 -0.000000005515 -1314.29171524938 -0.000000000779 -1314.29171524961 -0.000000000222 -1314.29171524977 -0.000000000161 -1314.29171524978 -0.000000000010 -1314.29171524980 -0.000000000021 -1314.29171524984 -0.000000000045 -1314.29171524984 0.000000000001 -1314.29171525 20 0.8169 1.124589248544e+03 -7.854515818270e+03 2.986992299008e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1569919732 LenY= 1568459260 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. 0.8169 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 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 H H H C H H H C 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 1 1 1 13 1 1 1 13 1 1 1 127 -0.00608 0.00739 0.02209 0.00342 0.00343 -0.01684 -0.01684 -0.00455 0.00403 -0.00482 0.00493 0.00043 -0.00083 0.00045 -0.00482 0.00403 -0.00455 0.00493 0.00043 0.00045 -0.00083 -0.01777 -0.00128 -0.00128 -0.00020 -0.00020 0.00573 -0.00071 0.00573 -0.00071 0.11930 -0.01198 0.01279 0.00220 0.00223 -0.01204 0.00220 0.00220 0.01273 -0.01198 0.00223 0.00220 0.01279 0.00101 -6.83261 -4.47739 31.68746 3.84987 3.85065 -18.93251 -18.93233 -5.11604 4.53030 -5.41963 1.59356 1.91985 -3.72772 2.02330 -5.41866 4.52938 -5.11519 1.59291 1.91938 2.02302 -3.72692 -19.97951 -1.44035 -1.44059 -0.89417 -0.89395 1.85297 -3.16497 1.85289 -3.16486 134.11545 -13.46381 57.19012 9.83843 9.97189 -13.53039 9.82134 9.81576 56.92318 -13.46333 9.95966 9.84091 57.17707 0.90905 -2.43805 -1.59764 11.30687 1.37373 1.37401 -6.75559 -6.75553 -1.82553 1.61652 -1.93386 0.56862 0.68505 -1.33014 0.72196 -1.93351 1.61620 -1.82523 0.56839 0.68488 0.72186 -1.32986 -7.12919 -0.51395 -0.51404 -0.31906 -0.31898 0.66119 -1.12934 0.66116 -1.12930 47.85573 -4.80422 20.40686 3.51060 3.55822 -4.82798 3.50450 3.50251 20.31161 -4.80405 3.55386 3.51148 20.40220 0.32437 -2.27911 -1.49350 10.56980 1.28418 1.28444 -6.31521 -6.31515 -1.70653 1.51114 -1.80779 0.53156 0.64039 -1.24344 0.67490 -1.80747 1.51084 -1.70624 0.53134 0.64024 0.67481 -1.24317 -6.66445 -0.48045 -0.48053 -0.29826 -0.29819 0.61808 -1.05572 0.61806 -1.05568 44.73610 -4.49104 19.07657 3.28175 3.32627 -4.51325 3.27605 3.27418 18.98753 -4.49088 3.32219 3.28258 19.07222 0.30323 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 -0.006467 0.197079 0.154348 0.040792 0.040794 -0.032197 -0.032176 -0.023548 0.045906 -0.026859 0.069202 -0.001187 -0.000054 -0.000623 -0.026862 0.045904 -0.023547 0.069193 -0.001187 -0.000623 -0.000055 -0.011402 0.011347 0.011344 -0.000689 -0.000689 0.099475 -0.002041 0.099462 -0.002040 0.561117 -0.000736 0.002771 -0.002680 -0.004825 -0.009373 -0.003060 -0.002932 -0.001830 -0.001755 -0.004934 -0.002921 0.002269 -0.072964 0.007172 -0.072853 -0.061204 -0.009285 -0.009299 0.014255 0.014258 0.005618 -0.016708 0.008660 -0.023445 -0.001648 -0.002471 0.000141 0.008657 -0.016689 0.005610 -0.023413 -0.001646 0.000146 -0.002460 0.003405 -0.004384 -0.004382 0.000936 0.000941 -0.045447 -0.001236 -0.045444 -0.001242 -0.215951 -0.005982 -0.003982 0.003676 -0.005120 0.017735 0.005952 0.007310 0.007227 -0.007303 -0.005535 0.001907 -0.004506 0.029288 -0.000705 -0.124226 -0.093144 -0.031508 -0.031495 0.017943 0.017918 0.017930 -0.029199 0.018199 -0.045756 0.002834 0.002525 0.000482 0.018205 -0.029215 0.017937 -0.045780 0.002833 0.000478 0.002515 0.007997 -0.006963 -0.006962 -0.000247 -0.000252 -0.054028 0.003277 -0.054018 0.003282 -0.345166 0.006718 0.001211 -0.000996 0.009945 -0.008362 -0.002892 -0.004378 -0.005397 0.009058 0.010470 0.001014 0.002237 0.043676 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 0.005813 -0.127886 -0.087359 -0.040637 -0.040635 0.012013 0.011994 0.018714 -0.034573 0.021262 -0.058445 0.000138 -0.000782 0.000786 0.021270 -0.034579 0.018720 -0.058455 0.000139 0.000786 -0.000780 0.021176 -0.003040 -0.003039 0.000130 0.000130 -0.029033 0.000229 -0.029020 0.000229 -0.342060 0.005470 0.000980 0.003856 -0.000639 -0.001979 0.003645 0.004057 -0.003082 0.003835 -0.000872 0.003204 0.000202 0.041882 -0.000007 0.000178 0.000125 -0.004567 0.004670 0.008293 -0.008334 -0.004554 0.006784 -0.007088 0.014291 -0.000724 -0.001800 -0.001126 0.007028 -0.006687 0.004502 -0.014131 0.000722 0.001124 0.001799 -0.000022 -0.000278 0.000290 -0.000212 0.000211 -0.008611 0.000758 0.008722 -0.000761 0.000276 0.011719 0.005734 0.002612 0.001725 0.000140 -0.001608 0.001136 0.000105 -0.011860 -0.000971 -0.002901 -0.005834 -0.000044 -0.000005 -0.000071 -0.000044 0.004134 -0.004190 -0.002912 0.002921 0.001772 -0.004697 0.000592 -0.007332 -0.000487 -0.003170 -0.001567 -0.000565 0.004658 -0.001742 0.007263 0.000494 0.001568 0.003177 0.000008 -0.000176 0.000171 -0.001581 0.001579 0.000194 0.001832 -0.000220 -0.001824 -0.000103 0.006322 0.002542 0.007242 0.002677 -0.001492 -0.006445 0.005062 -0.000677 -0.004811 -0.000805 -0.007723 -0.001863 0.000013 0.9384 -0.3456 6.0E-4 -3.0E-4 8.0E-4 1.0 0.3456 0.9384 -7.0E-4 -0.0086 -7.0E-4 0.0093 -1.155 -0.095 1.25 -0.412 -0.034 0.446 -0.385 -0.032 0.417 1 C 13 -2.0E-4 9.0E-4 1.0 0.3702 0.9289 -8.0E-4 0.9289 -0.3702 5.0E-4 -0.1242 -0.1238 0.248 8.989 8.959 -17.948 3.207 3.197 -6.404 2.998 2.989 -5.987 2 O 17 -5.0E-4 1.0E-4 1.0 0.334 0.9426 1.0E-4 0.9426 -0.334 5.0E-4 -0.0931 -0.0922 0.1853 -15.948 -15.78 31.727 -5.691 -5.631 11.321 -5.32 -5.263 10.583 3 B 11 -0.3129 -0.6486 0.6938 0.3789 0.5846 0.7174 0.8709 -0.4874 -0.0628 -0.0333 -0.0306 0.0639 -4.47 -4.1 8.57 -1.595 -1.463 3.058 -1.491 -1.368 2.859 4 C 13 0.3126 0.6498 0.6928 -0.3792 -0.5834 0.7182 0.8709 -0.4873 0.0641 -0.0333 -0.0306 0.0639 -4.471 -4.1 8.571 -1.595 -1.463 3.058 -1.491 -1.368 2.859 5 C 13 0.9587 -0.2359 -0.1586 0.2762 0.9049 0.3239 0.0671 -0.3543 0.9327 -0.0365 0.0169 0.0196 -4.901 2.265 2.636 -1.749 0.808 0.941 -1.635 0.756 0.879 6 C 13 0.9587 -0.2357 0.1594 0.2764 0.9046 -0.3247 -0.0677 0.3553 0.9323 -0.0365 0.0169 0.0196 -4.899 2.264 2.635 -1.748 0.808 0.94 -1.634 0.755 0.879 7 C 13 0.8948 -0.4362 0.0949 0.4262 0.898 0.109 -0.1328 -0.057 0.9895 -0.0332 0.0147 0.0184 -4.449 1.975 2.474 -1.588 0.705 0.883 -1.484 0.659 0.825 8 C 13 0.3226 0.8256 0.4629 -0.2607 -0.3927 0.8819 0.9099 -0.4052 0.0886 -0.0328 -0.0291 0.062 -4.408 -3.907 8.315 -1.573 -1.394 2.967 -1.47 -1.303 2.773 9 C 13 0.9016 -0.4159 0.1189 0.2347 0.7013 0.6731 -0.3634 -0.579 0.7299 -0.0376 0.0163 0.0213 -5.046 2.193 2.853 -1.8 0.783 1.018 -1.683 0.732 0.952 10 C 13 0.4248 0.9009 0.0894 -0.1378 -0.0332 0.9899 0.8947 -0.4328 0.1101 -0.0517 -0.0475 0.0992 -1.995 -1.832 3.827 -0.712 -0.654 1.366 -0.666 -0.611 1.277 11 N 14 -0.1467 0.9858 0.0823 0.9741 0.1294 0.1856 -0.1723 -0.1074 0.9792 -0.0017 -0.0013 0.003 -0.912 -0.697 1.609 -0.325 -0.249 0.574 -0.304 -0.232 0.537 12 H 1 0.328 0.8275 0.4557 0.8996 -0.4208 0.1166 -0.2883 -0.3717 0.8825 -0.0045 1.0E-4 0.0044 -2.415 0.042 2.373 -0.862 0.015 0.847 -0.806 0.014 0.792 13 H 1 0.6026 0.3973 0.6921 -0.6893 0.6962 0.2006 -0.4022 -0.5979 0.6934 -0.0014 -0.0011 0.0025 -0.746 -0.581 1.327 -0.266 -0.207 0.473 -0.249 -0.194 0.443 14 H 1 0.9017 -0.4161 -0.1178 0.2351 0.7002 -0.6741 0.363 0.5801 0.7292 -0.0376 0.0163 0.0213 -5.045 2.193 2.852 -1.8 0.782 1.018 -1.683 0.731 0.951 15 C 13 0.3228 0.8248 -0.4641 0.2603 0.3941 0.8814 0.91 -0.4053 -0.0875 -0.0328 -0.0291 0.0619 -4.407 -3.906 8.313 -1.573 -1.394 2.966 -1.47 -1.303 2.773 16 C 13 0.8949 -0.4364 -0.0937 0.4263 0.8978 -0.1102 0.1323 0.0587 0.9895 -0.0331 0.0147 0.0184 -4.448 1.974 2.474 -1.587 0.704 0.883 -1.484 0.659 0.825 17 C 13 0.4249 0.9007 -0.0906 0.1373 0.0348 0.9899 0.8948 -0.433 -0.1089 -0.0517 -0.0475 0.0992 -1.995 -1.831 3.826 -0.712 -0.653 1.365 -0.665 -0.611 1.276 18 N 14 -0.1471 0.9855 -0.0839 0.9741 0.1296 -0.1854 0.1718 0.109 0.9791 -0.0017 -0.0013 0.003 -0.912 -0.697 1.608 -0.325 -0.249 0.574 -0.304 -0.232 0.537 19 H 1 -0.6025 -0.3966 0.6926 -0.6896 0.6956 -0.2016 0.4019 0.599 0.6926 -0.0014 -0.0011 0.0025 -0.746 -0.581 1.327 -0.266 -0.207 0.473 -0.249 -0.194 0.442 20 H 1 0.3282 0.8268 -0.4569 0.8997 -0.421 -0.1155 0.2879 0.3731 0.882 -0.0045 1.0E-4 0.0044 -2.415 0.042 2.373 -0.862 0.015 0.847 -0.805 0.014 0.791 21 H 1 0.8155 -0.5788 6.0E-4 -2.0E-4 8.0E-4 1.0 0.5788 0.8155 -6.0E-4 -0.0264 0.008 0.0184 -3.547 1.073 2.474 -1.266 0.383 0.883 -1.183 0.358 0.825 22 C 13 0.0324 0.1049 0.994 0.1807 0.9775 -0.109 0.983 -0.1832 -0.0127 -0.007 -0.0049 0.0119 -0.938 -0.661 1.599 -0.335 -0.236 0.571 -0.313 -0.22 0.533 23 C 13 -0.0329 -0.1033 0.9941 0.1807 0.9776 0.1076 0.983 -0.1832 0.0135 -0.007 -0.0049 0.0119 -0.938 -0.661 1.599 -0.335 -0.236 0.57 -0.313 -0.22 0.533 24 C 13 0.1506 0.5551 0.8181 0.9851 -0.1537 -0.0771 0.0829 0.8175 -0.5699 -0.0014 -7.0E-4 0.0021 -0.725 -0.369 1.095 -0.259 -0.132 0.391 -0.242 -0.123 0.365 25 H 1 -0.151 -0.5537 0.8189 0.9851 -0.1536 0.0778 0.0827 0.8184 0.5686 -0.0014 -7.0E-4 0.0021 -0.725 -0.369 1.094 -0.259 -0.132 0.391 -0.242 -0.123 0.365 26 H 1 0.1136 0.3261 0.9385 0.1597 0.9263 -0.3412 0.9806 -0.1886 -0.0532 -0.055 -0.0505 0.1055 -2.121 -1.949 4.07 -0.757 -0.695 1.452 -0.708 -0.65 1.358 27 N 14 0.9817 0.0905 -0.1678 -0.1401 0.9394 -0.313 0.1292 0.3308 0.9348 -0.0021 -0.0019 0.004 -1.147 -1.004 2.15 -0.409 -0.358 0.767 -0.383 -0.335 0.717 28 H 1 -0.114 -0.3246 0.939 0.1596 0.9269 0.3398 0.9806 -0.1886 0.0539 -0.055 -0.0505 0.1055 -2.121 -1.948 4.07 -0.757 -0.695 1.452 -0.708 -0.65 1.358 29 N 14 0.9818 0.0892 0.1676 -0.1386 0.94 0.3117 -0.1297 -0.3292 0.9353 -0.0021 -0.0019 0.004 -1.147 -1.004 2.15 -0.409 -0.358 0.767 -0.383 -0.335 0.717 30 H 1 -0.0043 -0.0106 0.9999 0.3531 0.9355 0.0114 0.9356 -0.3532 3.0E-4 -0.3452 -0.3451 0.6902 -46.318 -46.305 92.623 -16.527 -16.523 33.05 -15.45 -15.446 30.896 31 C 13 0.7659 -0.5495 -0.3338 0.3076 0.7691 -0.5602 0.5645 0.3264 0.7582 -0.0098 -0.0084 0.0182 -1.31 -1.127 2.438 -0.468 -0.402 0.87 -0.437 -0.376 0.813 32 C 13 0.2942 0.7792 -0.5534 0.6226 -0.5956 -0.5076 0.7251 0.1952 0.6604 -0.0054 -0.0028 0.0083 -2.891 -1.515 4.406 -1.031 -0.541 1.572 -0.964 -0.505 1.47 33 H 1 0.0726 -0.6049 0.793 0.9408 -0.2224 -0.2559 0.3312 0.7646 0.5529 -0.0063 -0.0043 0.0106 -3.351 -2.296 5.647 -1.196 -0.819 2.015 -1.118 -0.766 1.884 34 H 1 0.586 0.7871 -0.1925 0.8037 -0.5948 0.0144 0.1032 0.1632 0.9812 -0.0062 -0.0043 0.0106 -3.335 -2.306 5.641 -1.19 -0.823 2.013 -1.112 -0.769 1.881 35 H 1 0.9971 0.0708 -0.0289 0.0248 0.0588 0.998 -0.0724 0.9958 -0.0568 -0.0095 -0.0084 0.018 -1.277 -1.133 2.411 -0.456 -0.404 0.86 -0.426 -0.378 0.804 36 C 13 -0.1214 0.4896 0.8635 0.952 -0.189 0.241 0.2811 0.8513 -0.4431 -0.0063 -0.0042 0.0105 -3.372 -2.236 5.608 -1.203 -0.798 2.001 -1.125 -0.746 1.871 37 H 1 0.1548 -0.3841 0.9102 0.9419 -0.2208 -0.2533 0.2983 0.8965 0.3276 -0.0063 -0.0042 0.0105 -3.372 -2.235 5.607 -1.203 -0.797 2.001 -1.125 -0.745 1.87 38 H 1 0.0207 0.0584 0.9981 0.9557 0.2919 -0.037 -0.2935 0.9546 -0.0498 -0.0054 -0.0028 0.0082 -2.9 -1.481 4.381 -1.035 -0.528 1.563 -0.967 -0.494 1.461 39 H 1 0.7799 -0.5114 0.3608 0.3324 0.8269 0.4536 -0.5304 -0.2338 0.8149 -0.0098 -0.0084 0.0182 -1.309 -1.127 2.437 -0.467 -0.402 0.869 -0.437 -0.376 0.813 40 C 13 0.5889 0.8049 0.073 0.806 -0.5916 0.0207 -0.0598 -0.0466 0.9971 -0.0062 -0.0043 0.0106 -3.333 -2.305 5.637 -1.189 -0.822 2.012 -1.112 -0.769 1.88 41 H 1 -0.0415 0.6942 0.7186 0.9515 -0.192 0.2404 0.3049 0.6937 -0.6525 -0.0063 -0.0043 0.0106 -3.35 -2.295 5.645 -1.195 -0.819 2.014 -1.118 -0.765 1.883 42 H 1 0.3152 0.8386 0.4444 0.6459 -0.5326 0.547 -0.6953 -0.1146 0.7095 -0.0054 -0.0028 0.0083 -2.89 -1.514 4.404 -1.031 -0.54 1.572 -0.964 -0.505 1.469 43 H 1 PT37497S 2024-09-26T04:51:28.000 -19.22352 -14.50703 -14.50702 -14.43534 -14.43534 -10.36701 -10.36186 -10.34963 -10.34891 -10.32734 -10.32733 -10.31480 -10.30810 -10.30810 -10.30375 -10.30375 -10.29434 -10.29434 -10.29268 -10.29268 -10.27076 -10.27063 -10.26901 -6.90825 -6.81878 -4.92646 -4.91712 -4.91694 -1.96068 -1.95817 -1.95801 -1.94991 -1.94991 -1.16560 -1.13431 -1.04419 -1.04368 -1.02571 -0.91094 -0.90707 -0.90255 -0.89361 -0.87574 -0.85165 -0.78096 -0.77999 -0.76506 -0.75959 -0.74444 -0.74242 -0.72446 -0.72276 -0.70376 -0.68720 -0.64503 -0.62419 -0.61710 -0.61287 -0.59182 -0.57941 -0.57107 -0.56598 -0.55906 -0.55765 -0.54753 -0.54573 -0.53457 -0.52135 -0.52096 -0.51669 -0.50771 -0.49758 -0.49211 -0.48817 -0.47854 -0.47614 -0.46746 -0.46662 -0.46564 -0.44212 -0.44129 -0.42508 -0.41846 -0.41829 -0.41593 -0.39620 -0.36970 -0.36247 -0.35137 -0.35067 -0.34310 -0.33161 -0.32767 -0.32350 -0.29705 -0.29558 -0.21238 -0.01018 0.01721 0.04442 0.04847 0.05519 0.07628 0.10372 0.11572 0.12682 0.12714 0.13213 0.14048 0.14482 0.15229 0.16397 0.16667 0.16834 0.16902 0.17163 0.17592 0.17635 0.17779 0.17949 0.18009 0.18711 0.20006 0.20012 0.20930 0.21096 0.21495 0.21650 0.22524 0.22691 0.23380 0.23681 0.24197 0.24760 0.25211 0.25547 0.25802 0.26109 0.26665 0.26711 0.27287 0.27636 0.27836 0.28083 0.28416 0.29886 0.30186 0.30243 0.30457 0.30990 0.31030 0.31461 0.31470 0.32564 0.32718 0.32786 0.33004 0.34050 0.34521 0.34962 0.35265 0.36173 0.36303 0.36483 0.36770 0.37225 0.37379 0.37878 0.37890 0.38158 0.38837 0.39597 0.39685 0.41754 0.41793 0.41825 0.42485 0.42870 0.43139 0.43472 0.43696 0.44248 0.44601 0.44648 0.44896 0.45176 0.46052 0.46147 0.46582 0.46856 0.47208 0.47474 0.48234 0.48271 0.48586 0.48774 0.49096 0.49395 0.49572 0.50139 0.50364 0.50761 0.51464 0.51771 0.52304 0.52469 0.52888 0.53446 0.53744 0.53880 0.54491 0.54719 0.54735 0.55085 0.55354 0.55569 0.56085 0.56359 0.56411 0.56507 0.57118 0.58148 0.58433 0.58753 0.59757 0.59980 0.60286 0.60524 0.61090 0.61184 0.61749 0.62131 0.62708 0.63292 0.63748 0.63887 0.65259 0.65781 0.66377 0.67125 0.67733 0.67874 0.69024 0.69202 0.69530 0.69932 0.71206 0.71302 0.72211 0.73063 0.73479 0.73805 0.74446 0.74573 0.74675 0.74712 0.74978 0.75578 0.75945 0.76160 0.76556 0.76982 0.77373 0.78251 0.78503 0.79229 0.79459 0.80247 0.80499 0.80867 0.80870 0.81965 0.82441 0.82792 0.82951 0.83022 0.84298 0.84475 0.85175 0.85697 0.86181 0.86469 0.87626 0.87654 0.88930 0.89387 0.90179 0.91100 0.91288 0.91745 0.92607 0.93044 0.93161 0.93672 0.93848 0.95001 0.95281 0.95608 0.96138 0.96856 0.97285 0.97408 0.98598 0.98960 0.99620 0.99987 1.00328 1.00701 1.01296 1.01480 1.02348 1.03452 1.03825 1.04039 1.04176 1.04410 1.04599 1.05101 1.05737 1.05976 1.06212 1.06628 1.06751 1.07541 1.07618 1.09019 1.09585 1.10356 1.10844 1.11440 1.12475 1.13145 1.13708 1.13833 1.14036 1.14091 1.14981 1.15147 1.15594 1.16236 1.17089 1.17440 1.18564 1.18585 1.20287 1.20416 1.20712 1.21533 1.22895 1.23130 1.23990 1.24041 1.24363 1.24499 1.25206 1.25477 1.25957 1.26560 1.27108 1.27306 1.28018 1.28088 1.28202 1.28471 1.28770 1.29669 1.31569 1.31815 1.31986 1.32711 1.32874 1.34765 1.35441 1.35519 1.36689 1.37332 1.37408 1.37524 1.38360 1.38502 1.38810 1.38947 1.39938 1.40196 1.40364 1.41104 1.42319 1.42861 1.43404 1.44051 1.44362 1.45124 1.45277 1.45678 1.45829 1.46192 1.47404 1.48560 1.48682 1.49793 1.49933 1.51281 1.51562 1.51635 1.52329 1.52450 1.53005 1.53204 1.54043 1.54257 1.54417 1.54998 1.55329 1.56536 1.56876 1.57625 1.58013 1.58166 1.58503 1.58769 1.58963 1.59185 1.59947 1.60358 1.60503 1.61143 1.61309 1.62429 1.63592 1.64474 1.64568 1.65841 1.66746 1.66810 1.67908 1.68260 1.68435 1.69341 1.69449 1.70626 1.70826 1.71464 1.71614 1.72252 1.72523 1.72686 1.73084 1.73568 1.74286 1.74753 1.75813 1.76496 1.76836 1.77362 1.77932 1.79015 1.79962 1.80194 1.80559 1.80878 1.81314 1.82746 1.84454 1.84504 1.85460 1.85581 1.86690 1.86853 1.89363 1.89950 1.89983 1.90209 1.91113 1.91399 1.92785 1.93143 1.93832 1.94896 1.95250 1.96151 1.97201 1.97799 1.97835 1.97943 1.99961 2.01598 2.01766 2.02498 2.04692 2.04824 2.05029 2.05465 2.05827 2.06724 2.07631 2.08704 2.10625 2.11594 2.12173 2.12429 2.13521 2.14683 2.17229 2.17814 2.18924 2.19941 2.20744 2.21089 2.21407 2.22171 2.22899 2.23724 2.26412 2.28619 2.28734 2.29931 2.31800 2.31816 2.32003 2.33411 2.33687 2.33907 2.35271 2.37735 2.39025 2.40544 2.41110 2.42114 2.42434 2.42881 2.44060 2.45356 2.45371 2.46217 2.47942 2.48221 2.48636 2.48919 2.48983 2.49816 2.52265 2.52444 2.53265 2.54518 2.54655 2.56508 2.58352 2.58803 2.59033 2.59728 2.59999 2.60494 2.60816 2.61555 2.65463 2.65541 2.67707 2.68141 2.68790 2.69049 2.70161 2.70753 2.72515 2.73296 2.73455 2.74925 2.75811 2.76620 2.77119 2.77640 2.78120 2.78841 2.79223 2.79916 2.80347 2.80658 2.80822 2.81007 2.81977 2.82847 2.83618 2.85905 2.86205 2.86300 2.87070 2.87360 2.88175 2.88455 2.89388 2.90802 2.91382 2.91447 2.92307 2.92976 2.93872 2.94502 2.95691 2.95776 2.96510 2.96864 2.97708 2.97949 2.98838 2.99798 3.00163 3.00252 3.00384 3.00644 3.01413 3.01452 3.02604 3.03170 3.03333 3.04281 3.04514 3.04993 3.05686 3.06169 3.06452 3.06665 3.07470 3.07672 3.07859 3.08331 3.08953 3.09346 3.10394 3.10729 3.11741 3.12604 3.12631 3.13300 3.14017 3.14321 3.14488 3.15504 3.15919 3.16009 3.16065 3.16514 3.17576 3.18237 3.18615 3.19234 3.19912 3.20129 3.20479 3.20698 3.21044 3.21166 3.21409 3.21466 3.22644 3.23112 3.23209 3.23420 3.25131 3.25286 3.25381 3.25881 3.26218 3.26808 3.27275 3.27511 3.27978 3.28887 3.29933 3.30373 3.30900 3.31564 3.31592 3.31951 3.33043 3.33230 3.35242 3.35360 3.35690 3.35745 3.36284 3.37097 3.37455 3.38097 3.38284 3.39965 3.40299 3.40656 3.40702 3.40928 3.41783 3.42131 3.42470 3.43027 3.43099 3.43605 3.43870 3.44818 3.45024 3.45589 3.46760 3.46824 3.47907 3.49463 3.49698 3.50134 3.50372 3.51227 3.51438 3.51859 3.51960 3.52392 3.53556 3.53758 3.54265 3.55039 3.55089 3.55447 3.55895 3.56870 3.57055 3.57482 3.57786 3.57965 3.58548 3.59054 3.59876 3.60477 3.60579 3.62915 3.63014 3.63497 3.63901 3.64236 3.64804 3.64882 3.65768 3.65967 3.66437 3.66966 3.68824 3.69305 3.69690 3.70443 3.70939 3.72012 3.72176 3.72825 3.73910 3.74335 3.74876 3.75480 3.76742 3.77822 3.77892 3.79504 3.79643 3.80194 3.80316 3.81052 3.81194 3.81350 3.82612 3.83853 3.83988 3.84360 3.84383 3.85211 3.86463 3.86895 3.87729 3.87740 3.89041 3.89905 3.90187 3.91325 3.91556 3.92509 3.92804 3.93125 3.93184 3.93659 3.94084 3.94389 3.96582 3.96684 3.97652 3.98152 3.98261 3.99694 4.00475 4.00783 4.00849 4.01904 4.02201 4.02329 4.02612 4.03629 4.04205 4.04577 4.04951 4.06535 4.07002 4.07064 4.09349 4.09438 4.09571 4.10391 4.10786 4.12202 4.12873 4.13015 4.13143 4.14533 4.14985 4.16818 4.17883 4.18051 4.18847 4.18903 4.20589 4.21104 4.21235 4.21978 4.22004 4.23261 4.23457 4.24065 4.24733 4.25237 4.25855 4.27679 4.27715 4.28366 4.28389 4.28926 4.29327 4.29842 4.30864 4.32068 4.32673 4.32700 4.33533 4.34501 4.35781 4.36443 4.37423 4.37878 4.39527 4.39719 4.41113 4.41176 4.41956 4.42527 4.44244 4.44705 4.45757 4.46043 4.46269 4.46976 4.47543 4.47591 4.47843 4.49031 4.49901 4.50213 4.52653 4.53151 4.53497 4.55258 4.55362 4.55604 4.56957 4.58124 4.58991 4.60890 4.61408 4.64059 4.64133 4.64618 4.64819 4.65203 4.66823 4.68054 4.68486 4.71081 4.71709 4.71736 4.72239 4.73488 4.74763 4.74988 4.76289 4.78194 4.78289 4.78714 4.79097 4.79733 4.80428 4.84140 4.84597 4.84631 4.85203 4.85278 4.86032 4.87270 4.89126 4.89577 4.89834 4.90739 4.91733 4.91741 4.92139 4.92656 4.93782 4.95422 4.97688 4.99382 5.00004 5.00240 5.02295 5.02724 5.04401 5.05260 5.05911 5.08928 5.09079 5.09299 5.10115 5.12233 5.13895 5.16099 5.16703 5.16791 5.18025 5.18844 5.19016 5.19231 5.21742 5.22624 5.23245 5.24460 5.25745 5.25794 5.26863 5.27049 5.27819 5.29221 5.29932 5.29960 5.31021 5.31168 5.33573 5.33788 5.34354 5.34978 5.36050 5.37155 5.38833 5.39483 5.39878 5.41397 5.41647 5.42164 5.42269 5.42281 5.42836 5.42923 5.44045 5.44162 5.44239 5.44648 5.46206 5.46255 5.46352 5.48388 5.49714 5.52929 5.54337 5.55288 5.58002 5.58069 5.59516 5.59692 5.60496 5.62756 5.63864 5.66677 5.69173 5.69862 5.71621 5.72422 5.74218 5.74243 5.74299 5.74622 5.76142 5.76539 5.78512 5.79869 5.81426 5.81637 5.81704 5.81908 5.90257 5.90645 5.92538 5.92792 5.98222 6.00939 6.01445 6.04756 6.04850 6.06780 6.09930 6.18167 6.18580 6.23288 6.27475 6.33925 6.50349 6.53177 6.53704 6.57259 6.70397 6.78779 6.79606 6.93480 6.95451 6.99725 7.11189 7.23853 7.32626 15.83916 22.81073 23.00545 23.00618 23.02778 23.19425 23.23471 23.26449 23.29144 23.35681 23.42947 23.53207 23.64228 23.65092 23.65492 23.65654 23.74888 23.86883 23.88723 32.85862 32.86272 33.04171 33.06420 34.94211 34.94600 35.28697 43.40760 44.16826 119.89166 -19.22209 -14.50621 -14.50619 -14.43454 -14.43454 -10.36722 -10.36237 -10.34954 -10.34882 -10.32776 -10.32776 -10.30874 -10.30874 -10.30718 -10.30413 -10.30413 -10.29368 -10.29368 -10.29199 -10.29199 -10.27109 -10.27097 -10.26934 -6.90869 -6.81650 -4.92802 -4.91703 -4.91685 -1.96162 -1.95907 -1.95890 -1.94967 -1.94967 -1.16455 -1.13160 -1.04322 -1.04270 -1.02392 -0.90950 -0.90166 -0.89496 -0.89243 -0.87486 -0.85126 -0.77937 -0.77840 -0.76373 -0.75859 -0.74394 -0.74210 -0.72397 -0.72375 -0.70382 -0.68582 -0.64418 -0.61669 -0.61274 -0.60814 -0.59120 -0.57892 -0.56775 -0.56589 -0.55851 -0.55412 -0.54718 -0.54514 -0.52226 -0.51836 -0.51793 -0.51295 -0.50617 -0.49629 -0.49122 -0.48712 -0.47792 -0.47557 -0.46315 -0.46248 -0.46216 -0.44181 -0.43969 -0.41923 -0.41484 -0.41462 -0.41446 -0.38413 -0.36653 -0.35620 -0.34908 -0.34869 -0.34005 -0.32988 -0.32609 -0.30868 -0.29707 -0.29597 -0.03015 -0.00044 0.04654 0.05206 0.05327 0.06839 0.07843 0.10338 0.11561 0.12718 0.12999 0.13187 0.14065 0.14495 0.15222 0.16409 0.16812 0.16842 0.17115 0.17225 0.17626 0.17758 0.18001 0.18027 0.18632 0.19653 0.20002 0.20025 0.20938 0.21155 0.21853 0.22054 0.22642 0.22779 0.23410 0.23747 0.24256 0.24833 0.25253 0.25531 0.25893 0.26175 0.26665 0.26716 0.27345 0.27566 0.27809 0.28253 0.28397 0.30019 0.30295 0.30303 0.30654 0.31004 0.31091 0.31480 0.31583 0.32565 0.32734 0.32807 0.33098 0.34074 0.34531 0.34921 0.35340 0.36200 0.36340 0.36471 0.36868 0.37264 0.37495 0.38027 0.38098 0.38691 0.38979 0.39658 0.39787 0.41793 0.41961 0.42111 0.42514 0.43033 0.43130 0.43517 0.43988 0.44304 0.44715 0.44752 0.44969 0.45211 0.46146 0.46448 0.46710 0.46894 0.47523 0.47671 0.48266 0.48466 0.48605 0.48866 0.49179 0.49487 0.49637 0.50267 0.50421 0.50818 0.51466 0.51807 0.52337 0.52604 0.53061 0.53562 0.53824 0.53946 0.54665 0.54803 0.54984 0.55189 0.55570 0.55677 0.56124 0.56431 0.56569 0.57016 0.57153 0.58297 0.58533 0.58801 0.59770 0.60294 0.60386 0.60742 0.61388 0.61489 0.61870 0.62270 0.62724 0.63384 0.63735 0.63953 0.65322 0.65837 0.66403 0.67325 0.67806 0.68015 0.69111 0.69280 0.69574 0.70018 0.71244 0.71328 0.72260 0.73103 0.73582 0.73851 0.74604 0.74670 0.74769 0.74812 0.75022 0.75674 0.76043 0.76238 0.76634 0.77011 0.77429 0.78385 0.78532 0.79242 0.79596 0.80294 0.80572 0.80933 0.80952 0.82071 0.82503 0.82982 0.83041 0.83083 0.84366 0.84560 0.85243 0.85719 0.86224 0.86504 0.87644 0.87773 0.88969 0.89410 0.90194 0.91152 0.91318 0.91772 0.92741 0.93123 0.93260 0.93779 0.94016 0.95209 0.95308 0.95759 0.96258 0.96953 0.97356 0.97546 0.98595 0.98987 0.99757 1.00010 1.00426 1.00767 1.01345 1.01503 1.02377 1.03538 1.03911 1.04208 1.04292 1.04455 1.04681 1.05222 1.05816 1.06019 1.06262 1.06573 1.06801 1.07737 1.08088 1.09148 1.09775 1.10268 1.10873 1.11462 1.12642 1.13170 1.13846 1.13899 1.14097 1.14128 1.15138 1.15269 1.15643 1.16348 1.17103 1.17457 1.18489 1.18685 1.20304 1.20520 1.20839 1.21577 1.22986 1.23156 1.24044 1.24190 1.24577 1.24683 1.25348 1.25635 1.26599 1.26805 1.27168 1.27651 1.28146 1.28237 1.28430 1.28682 1.29061 1.29860 1.31611 1.31937 1.32125 1.32787 1.33071 1.34914 1.35536 1.35588 1.36756 1.37400 1.37474 1.37607 1.38485 1.38536 1.38965 1.39085 1.40313 1.40392 1.40459 1.41273 1.42406 1.42959 1.43448 1.44125 1.44431 1.45189 1.45401 1.45736 1.45916 1.46271 1.47506 1.48677 1.48735 1.49804 1.49983 1.51402 1.51689 1.51756 1.52467 1.52522 1.53132 1.53364 1.54165 1.54329 1.54572 1.55128 1.55388 1.56686 1.56960 1.57743 1.58123 1.58358 1.58608 1.58837 1.59041 1.59251 1.60094 1.60530 1.60598 1.61272 1.61527 1.62516 1.63726 1.64567 1.65008 1.65992 1.66836 1.67077 1.68010 1.68438 1.68600 1.69460 1.69705 1.70709 1.70830 1.71549 1.72088 1.72488 1.72625 1.72856 1.73253 1.73652 1.74357 1.74914 1.76024 1.76640 1.77008 1.77485 1.78005 1.79094 1.80197 1.80298 1.80696 1.80973 1.81467 1.83091 1.84593 1.84719 1.85559 1.85663 1.86767 1.87231 1.89446 1.90036 1.90072 1.90606 1.91311 1.91484 1.92878 1.93180 1.93853 1.95364 1.95449 1.96541 1.97304 1.97939 1.98038 1.98053 2.00155 2.01803 2.01862 2.02548 2.04960 2.05186 2.05643 2.05752 2.05981 2.07337 2.07942 2.08756 2.10745 2.11750 2.12495 2.12708 2.14257 2.15115 2.17480 2.18296 2.18964 2.20235 2.21124 2.21411 2.21883 2.22291 2.23034 2.23905 2.26670 2.28662 2.28875 2.30142 2.32195 2.32309 2.32443 2.33749 2.34140 2.34210 2.35552 2.37889 2.39440 2.40707 2.41216 2.42367 2.42595 2.43108 2.44429 2.45459 2.45809 2.46336 2.48132 2.48656 2.49098 2.49308 2.49509 2.51105 2.52417 2.52761 2.53686 2.54655 2.54818 2.56657 2.58604 2.58994 2.59324 2.59933 2.60274 2.60654 2.61094 2.61828 2.65565 2.65654 2.67790 2.68371 2.69350 2.70055 2.70271 2.71098 2.72816 2.73624 2.73802 2.75088 2.75944 2.76705 2.77259 2.77707 2.78209 2.78984 2.79298 2.79971 2.80522 2.80866 2.81121 2.81299 2.82069 2.82941 2.83755 2.85979 2.86346 2.86481 2.87238 2.87508 2.88262 2.88467 2.89490 2.90913 2.91475 2.91567 2.92361 2.93033 2.93906 2.94655 2.95725 2.95794 2.96563 2.96982 2.98065 2.98137 2.98883 2.99898 3.00393 3.00708 3.00759 3.01026 3.01577 3.01665 3.02708 3.03239 3.03409 3.04395 3.04541 3.05165 3.05773 3.06279 3.06517 3.06784 3.07679 3.08062 3.08389 3.08918 3.09123 3.09428 3.10432 3.10852 3.11832 3.12624 3.12706 3.13325 3.14103 3.14387 3.14555 3.15627 3.16087 3.16155 3.16265 3.16564 3.17634 3.18296 3.18658 3.19307 3.19917 3.20224 3.20534 3.20753 3.21109 3.21211 3.21439 3.21498 3.22722 3.23165 3.23257 3.23485 3.25362 3.25509 3.25685 3.26055 3.26438 3.26951 3.27339 3.27578 3.28199 3.28931 3.29977 3.30414 3.30947 3.31598 3.31627 3.32022 3.33160 3.33274 3.35415 3.35452 3.36057 3.36372 3.36624 3.37208 3.37634 3.38365 3.38696 3.40182 3.40562 3.40804 3.40854 3.41265 3.41954 3.42242 3.42572 3.43121 3.43197 3.43626 3.43994 3.44879 3.45094 3.45682 3.46813 3.46848 3.47974 3.49548 3.49726 3.50241 3.50400 3.51317 3.51667 3.51992 3.52043 3.52462 3.53718 3.54241 3.54404 3.55192 3.55293 3.55687 3.55954 3.56961 3.57141 3.57560 3.57859 3.58121 3.58589 3.59137 3.59964 3.60564 3.60655 3.63103 3.63368 3.63621 3.63923 3.64804 3.64904 3.65023 3.65941 3.66050 3.66479 3.67042 3.68894 3.69385 3.69849 3.70485 3.71069 3.72256 3.72322 3.73143 3.74174 3.74614 3.75121 3.75573 3.76825 3.77886 3.77962 3.79668 3.79775 3.80362 3.80478 3.81256 3.81364 3.81541 3.82743 3.83915 3.84057 3.84409 3.84631 3.85266 3.86736 3.87051 3.87801 3.87841 3.89093 3.89959 3.90268 3.91352 3.91601 3.92636 3.92873 3.93517 3.93581 3.93697 3.94168 3.94438 3.96660 3.96762 3.97704 3.98424 3.98488 3.99717 4.00618 4.00873 4.01331 4.02079 4.02364 4.02825 4.03140 4.03683 4.04298 4.04632 4.05033 4.06605 4.07098 4.07242 4.09475 4.09727 4.09846 4.10459 4.10861 4.12286 4.13009 4.13190 4.13252 4.14586 4.16079 4.16899 4.18021 4.18119 4.18990 4.19105 4.20859 4.21161 4.21304 4.22158 4.22186 4.23356 4.23571 4.24113 4.24778 4.25297 4.25930 4.27773 4.27820 4.28695 4.28711 4.28994 4.29631 4.29965 4.30953 4.32167 4.33217 4.33247 4.33624 4.34560 4.35845 4.36504 4.37445 4.37933 4.39614 4.39758 4.41184 4.41218 4.42297 4.42553 4.44352 4.44754 4.45996 4.46232 4.46382 4.47036 4.47668 4.48018 4.48212 4.49126 4.49970 4.50240 4.52738 4.53201 4.53566 4.55295 4.55604 4.55717 4.57064 4.58193 4.59034 4.60964 4.61464 4.64139 4.64407 4.65017 4.65185 4.65363 4.66878 4.68176 4.68557 4.71235 4.72005 4.72031 4.72321 4.73555 4.74845 4.75540 4.76342 4.78522 4.78597 4.78767 4.79179 4.79862 4.80537 4.84370 4.84661 4.84689 4.85739 4.85779 4.86164 4.87526 4.89169 4.89905 4.90204 4.90815 4.91946 4.91952 4.92146 4.92677 4.93832 4.95507 4.97852 4.99545 5.00273 5.00274 5.02483 5.02803 5.04568 5.05310 5.06028 5.09082 5.09139 5.09374 5.10276 5.12287 5.13964 5.16279 5.16910 5.16996 5.18077 5.18984 5.19151 5.19307 5.21812 5.22688 5.23370 5.24598 5.25802 5.25857 5.27190 5.27375 5.27860 5.29387 5.30022 5.30050 5.31323 5.31350 5.33692 5.34095 5.34399 5.35088 5.36108 5.37224 5.38951 5.39588 5.40012 5.41458 5.41707 5.42269 5.42412 5.42434 5.42941 5.43059 5.44155 5.44265 5.44345 5.44747 5.46380 5.46393 5.46527 5.48547 5.49779 5.53017 5.54380 5.55390 5.58094 5.58110 5.59767 5.59942 5.60614 5.62886 5.63897 5.66712 5.69259 5.69936 5.71848 5.72767 5.74297 5.74306 5.74376 5.74666 5.76265 5.76695 5.78543 5.79930 5.81492 5.81733 5.81773 5.82010 5.90337 5.90697 5.92603 5.92848 5.98257 6.00995 6.01491 6.04792 6.04936 6.06815 6.09995 6.18206 6.18624 6.23640 6.27531 6.33975 6.50844 6.53315 6.53781 6.57295 6.70435 6.78841 6.80050 6.93888 6.95541 6.99809 7.11261 7.24068 7.32715 15.84431 22.82369 23.00589 23.00675 23.02780 23.19389 23.23482 23.26482 23.29134 23.35667 23.42895 23.53167 23.64193 23.65080 23.65462 23.65649 23.74878 23.86867 23.88713 32.85954 32.86365 33.04261 33.06509 34.94287 34.94676 35.28442 43.40727 44.16961 119.89335 2-A. 0.6473 5.7086 -0.0048 5.7452 -168.3083 -149.7010 -144.9468 -6.4254 -0.0013 0.0033 -13.9896 4.6177 9.3719 -6.4254 -0.0013 0.0033 131.9241 143.6336 0.2348 47.4237 -9.6047 0.0193 -23.2151 1.0696 -0.3145 -0.1398 -5641.3104 -3193.3407 -3086.9755 -73.6793 -0.2844 -70.3915 0.5347 0.6308 -0.1845 -1638.5256 -1471.0003 -1048.2465 -0.4923 -0.4848 74.5810 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) GINC-BERON01 GRUFOR 2024-09-26T00:00:00.000 0 coments 0 2 Version=ES64L-G16RevC.02 State=2-A HF=-1314.2917152 S2=0.816891 S2-1=0. S2A=0.751523 RMSD=1.613e-09 Dipole=0.2729538,2.2383518,0.1562153 Quadrupole=-10.4685703,3.5401553,6.928415,-4.6244349,-0.7188426,-0.3372358 PG=C01 [X(C18H19B1I1N4O1)] 0 -2.4189438846 -1.8881621394 -0.1856997981 0 -2.8956533011 -3.0054403119 -0.2717088671 0 -0.9935776574 0.7104196222 0.0217524226 0 -2.1174051653 -1.0937487531 -1.417475064 0 -2.1776143726 -1.2659828874 1.1536801711 0 -1.5481567716 -0.0120619402 1.2937296823 0 -1.4860269479 0.1656799172 -1.3596336585 0 -2.6065716961 -1.9453950354 2.2966990931 0 -2.4221238752 -1.3542555547 3.5386377974 0 -1.8273015724 -0.0897444157 3.5856597768 0 -1.403393531 0.5646000527 2.511977084 0 -3.0805436152 -2.9226407059 2.1809835216 0 -2.7398104491 -1.8472334727 4.4586817273 0 -1.6921220875 0.4145535999 4.5491423138 0 -1.6577452986 0.39505487 -3.6519692115 0 -2.2501655612 -0.8625736904 -3.8017016026 0 -2.4904860551 -1.6133943195 -2.6596006685 0 -1.2864245294 0.899124913 -2.48205645 0 -2.9662926344 -2.5958546831 -2.6974035375 0 -1.4793462498 1.0228463118 -4.5322751405 0 -2.5230597466 -1.2275256403 -4.7930500735 0 -0.7048691114 2.2400216722 0.1309738962 0 -0.2596243516 4.3551983229 -0.4012637236 0 -0.2914736039 4.2639749464 0.9605588759 0 -0.074311368 5.2075299851 -1.0467904281 0 -0.1390571607 5.022065579 1.7218619263 0 -0.5219375048 3.095070831 -0.8843061158 0 -0.6200580592 2.7217449485 -1.8402910256 0 -0.5720557395 2.9515275842 1.2585757294 0 -0.7134177894 2.4544232805 2.1506539861 0 3.8831744426 -1.0806502675 0.0152769237 0 4.4773146209 -0.5375632137 1.2895203127 0 5.5247981781 -0.8860862746 1.3856240956 0 4.4913634436 0.5623176259 1.2987854577 0 3.9288406327 -0.885272903 2.1772262237 0 3.6843906752 -2.5745323484 0.0014445667 0 3.1372303138 -2.923208152 0.8895319463 0 3.1385708552 -2.9068645448 -0.8937076197 0 4.6718280922 -3.0772942926 -0.0024422581 0 4.4792420906 -0.5143481834 -1.2478961827 0 3.9322551965 -0.8458977795 -2.1426633802 0 4.4929996194 0.5855102133 -1.2371617243 0 5.5269478583 -0.8608920055 -1.3486303502 0 1.4862226718 -0.1640037613 0.0211713498