Gaussian 16 GINC-NODO02 BPR coments ES64L-G16RevC.02 13-Jul-2025 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 44 44 84 85 436 (5D, 7F) def2SVP 126 126 C1[X(C19H20BN2O2)] C1[X(C19H20BN2O2)] UwB97XD def2SVP FTS #p wB97xD/Def2SVP opt=(ts,noeigentest,calcfc) freq SCF=(XQC) gfprintgfinput 299.0264999999999 0 2 AuxInfo=1/0/N:15,26,11,13,22,24,9,10,20,21,1,2,8,19,7,30,5,6;33,41,35,38,40,39/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3;1.3,3.3,4.3,5.1/rA:44nC3C3HHNNC3C3C3C3C3HC3HC3HHHC3C3C3C3HC3HC3HHHBHHC3HC3HHC3OO1CHHH/rB:s1;s1;s2;s1;s2;s5s6;s5;s8;s8;s9;s9;s10;s10;s11s13;s11;s13;s15;s6;s19;s19;s20;s20;s21;s21;s22s24;s22;s24;s26;s7;s30;s30;;s33;s33;s35;s33;s35;s38;s38;s39;s41;s41;s41;/rC:-1.9218,-2.8667,1.0328;-3.1347,-2.2715,1.021;-1.6336,-3.9001,1.1966;-4.1327,-2.6716,1.1693;-.9826,-1.8679,.8305;-2.9103,-.9206,.8104;-1.5838,-.6591,.6856;.4245,-2.1371,.8128;1.2958,-1.3788,1.589;.8963,-3.1775,.0109;2.6587,-1.6588,1.5484;.9217,-.5376,2.1717;2.2583,-3.4653,-.0031;.203,-3.7438,-.6145;3.1407,-2.7042,.7637;3.3424,-1.0276,2.1164;2.6326,-4.2757,-.6319;4.2111,-2.918,.7359;-3.9744,.0346,.7708;-4.9889,-.1235,-.1708;-4.0075,1.0801,1.6912;-6.0542,.7751,-.1877;-4.9345,-.939,-.8949;-5.0702,1.9778,1.6612;-3.1926,1.1927,2.4072;-6.0949,1.8261,.7264;-6.8492,.6573,-.9266;-5.0961,2.8042,2.3739;-6.9264,2.5334,.7083;-.9276,.8031,.4667;-1.8314,1.5578,.1313;-.5159,1.1392,1.5817;.9814,.8429,-1.3264;1.7137,.0395,-1.1631;1.6594,2.1405,-1.235;1.2662,3.0227,-1.7461;.5267,.7119,-2.3217;2.7654,2.3477,-.3289;3.1971,3.6325,-.3287;3.287,1.4981,.3724;4.2757,3.9198,.5314;4.0175,3.7097,1.5811;5.1638,3.3214,.275;4.4969,4.987,.4084; /usr/local/CompChem/Gaussian/g16/g16 Output=2Ph_BH2_COOMe_TS.log chk=2Ph_BH2_COOMe_TS.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 12 1 1 14 14 12 12 12 12 12 1 12 1 12 1 1 1 12 12 12 12 1 12 1 12 1 1 1 11 1 1 12 1 12 1 1 12 16 16 12 1 1 1 12.0000000 12.0000000 1.0078250 1.0078250 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 11.0093053 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 0 0 1 1 2 2 0 0 0 0 0 1 0 1 0 1 1 1 0 0 0 0 1 0 1 0 1 1 1 3 1 1 0 1 0 1 1 0 0 0 0 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 1 1 2 2 5 5 6 6 7 8 8 9 9 10 10 11 11 13 13 15 19 19 20 20 21 21 22 22 24 24 26 30 30 30 33 33 33 35 35 38 38 39 41 41 41 2 3 5 4 6 7 8 7 19 30 9 10 11 12 13 14 15 16 15 17 18 20 21 22 23 24 25 26 27 26 28 29 31 32 33 34 35 37 36 38 39 40 41 42 43 44 1.3511 1.0853 1.3858 1.0854 1.3854 1.3578 1.4327 1.3577 1.4305 1.6176 1.3916 1.3958 1.392 1.0895 1.3921 1.0921 1.3931 1.0902 1.395 1.0918 1.0919 1.393 1.3934 1.3938 1.092 1.3915 1.0906 1.3935 1.0917 1.3953 1.0916 1.0918 1.2244 1.2352 2.6194 1.0993 1.4669 1.1021 1.0928 1.4447 1.3554 1.2189 1.4092 1.1011 1.1012 1.0968 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 2 2 3 1 1 4 1 1 7 2 2 7 5 5 6 5 5 9 8 8 11 8 8 13 9 9 15 10 10 15 11 11 13 6 6 20 19 19 22 19 19 24 20 20 26 21 21 26 22 22 24 7 7 7 31 31 32 30 30 30 34 34 35 33 33 36 35 35 39 38 39 39 39 42 42 43 1 1 1 2 2 2 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 13 13 13 15 15 15 19 19 19 20 20 20 21 21 21 22 22 22 24 24 24 26 26 26 30 30 30 30 30 30 33 33 33 33 33 33 35 35 35 38 38 38 39 41 41 41 41 41 41 3 5 5 4 6 6 7 8 8 7 19 19 6 30 30 9 10 10 11 12 12 13 14 14 15 16 16 15 17 17 13 18 18 20 21 21 22 23 23 24 25 25 26 27 27 26 28 28 24 29 29 31 32 33 32 33 33 34 35 37 35 37 37 36 38 38 39 40 40 41 42 43 44 43 44 44 131.2411 106.8316 121.8916 131.4378 106.5886 121.9446 110.9234 122.1366 126.9298 111.0985 122.3307 126.5547 104.5563 129.7574 125.6528 120.3738 118.6327 120.992 119.1552 120.2681 120.4663 119.3832 120.0595 120.5442 120.4058 118.8422 120.7262 120.0348 119.6405 120.3135 120.0116 120.0298 119.9511 118.9909 120.0267 120.9535 119.451 119.7802 120.7629 119.2085 119.568 121.2117 120.0399 119.6846 120.2723 120.3421 119.5057 120.1521 120.0028 119.9996 119.9971 107.1494 105.0158 113.7064 109.0035 109.9417 111.766 111.8816 107.9192 108.4041 109.2267 108.7966 110.6155 121.2448 121.3208 116.934 112.3248 126.049 121.6259 115.9174 111.3184 111.3683 106.5148 107.9026 109.8667 109.8734 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 3 3 5 5 2 2 3 3 1 1 4 4 1 1 8 8 1 1 7 7 2 2 19 19 2 2 7 7 5 5 5 6 6 6 5 5 10 10 5 5 9 9 8 8 12 12 8 8 14 14 9 9 16 16 10 10 17 17 6 6 21 21 6 6 20 20 19 19 23 23 19 19 25 25 20 20 27 27 21 21 28 28 7 7 7 31 31 31 32 32 32 30 30 34 34 37 37 33 33 36 36 35 40 38 38 38 1 1 1 1 1 1 1 1 2 2 2 2 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 13 13 13 13 19 19 19 19 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 30 30 30 30 30 30 30 30 30 33 33 33 33 33 33 35 35 35 35 38 38 39 39 39 2 2 2 2 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 7 7 7 7 19 19 19 19 30 30 30 30 30 30 9 9 9 9 10 10 10 10 11 11 11 11 13 13 13 13 15 15 15 15 15 15 15 15 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 26 26 26 26 26 26 26 26 33 33 33 33 33 33 33 33 33 35 35 35 35 35 35 38 38 38 38 39 39 41 41 41 4 6 4 6 7 8 7 8 7 19 7 19 6 30 6 30 9 10 9 10 5 30 5 30 20 21 20 21 31 32 33 31 32 33 11 12 11 12 13 14 13 14 15 16 15 16 15 17 15 17 13 18 13 18 11 18 11 18 22 23 22 23 24 25 24 25 26 27 26 27 26 28 26 28 24 29 24 29 22 29 22 29 34 35 37 34 35 37 34 35 37 36 38 36 38 36 38 39 40 39 40 41 41 42 43 44 -0.1719 177.8482 -177.9737 0.0464 -0.2939 178.6178 -178.3472 0.5645 0.2152 -178.4149 178.4661 -0.164 0.413 178.363 -178.4341 -0.4841 -129.6945 49.8623 49.0338 -131.4095 -0.3838 -178.4444 178.1752 0.1146 -58.6049 119.4563 122.9862 -58.9526 167.2023 -76.9742 45.512 -15.2398 100.5837 -136.9301 -179.7452 -3.5473 0.7086 176.9065 -179.0684 2.2426 0.4854 -178.2036 -1.4278 176.7404 -177.618 0.5502 -0.968 -179.7597 177.7145 -1.0772 0.9549 179.9591 -177.1785 1.8257 0.2577 -178.7473 179.0412 0.0362 177.7982 -3.0721 -0.2445 178.8853 -178.2068 3.03 -0.1843 -178.9475 0.399 179.75 -178.722 0.629 0.4604 -179.4222 179.2026 -0.68 -0.1264 179.5997 -179.4735 0.2526 -0.308 179.9659 179.5738 -0.1522 -48.7393 -168.927 71.2326 -168.8647 70.9476 -48.8927 69.9469 -50.2408 -170.0812 -83.6914 87.9439 154.465 -33.8997 34.7434 -153.6213 -175.949 4.2267 -3.9683 176.2074 179.9488 -0.218 -60.3667 60.0992 179.8844 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 460 A 436 A 740 460 1868.2580222985 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 59 out of a maximum of 238 All quantities printed in internal units (Hartrees-Bohrs-Radians) -0.02260 0.00138 0.00244 0.00272 0.00619 0.00749 0.00889 0.01033 0.01210 0.01303 0.01593 0.01764 0.01827 0.01831 0.01836 0.01877 0.01908 0.01948 0.02058 0.02103 0.02313 0.02379 0.02394 0.02504 0.02611 0.02658 0.02667 0.02723 0.02796 0.02983 0.03024 0.03048 0.03075 0.03258 0.03397 0.03709 0.04395 0.04680 0.04964 0.05631 0.06468 0.06693 0.07379 0.08250 0.08358 0.08508 0.10110 0.10474 0.10984 0.11012 0.11182 0.11335 0.11380 0.11573 0.11598 0.12022 0.12232 0.12259 0.12456 0.12494 0.13282 0.14505 0.15941 0.18530 0.18812 0.18892 0.19017 0.19055 0.19118 0.19606 0.19688 0.20699 0.21135 0.21206 0.21791 0.22083 0.22513 0.23890 0.25154 0.26280 0.28195 0.29285 0.29844 0.30507 0.31788 0.34096 0.34121 0.34374 0.34550 0.35207 0.35284 0.36386 0.36480 0.36511 0.36541 0.36617 0.36639 0.36697 0.36763 0.36947 0.37082 0.37241 0.37936 0.38447 0.38498 0.39276 0.40284 0.40596 0.42448 0.43158 0.43463 0.43694 0.44971 0.45888 0.46800 0.48616 0.49347 0.49767 0.49807 0.49939 0.49980 0.53578 0.53668 0.59927 0.84281 0.94963 1.522373465e-09 -1.40830772e-08 Linear search 1 2 0.00032069 0.00000006 0.00000002 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 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 2.55474 2.05164 2.61375 2.05147 2.61904 2.60625 2.69746 2.61249 2.68561 2.88903 2.63748 2.63275 2.63302 2.06398 2.63173 2.06319 2.63537 2.06352 2.63552 2.06303 2.06384 2.63881 2.63756 2.63312 2.06372 2.62995 2.06040 2.63383 2.06324 2.63650 2.06318 2.06318 2.27903 2.27816 4.57860 2.06496 2.57532 2.06160 2.06230 2.75953 2.54186 2.29798 2.66906 2.07988 2.07931 2.07166 2.28479 1.87562 2.12275 2.28565 1.87130 2.12596 1.93149 2.14897 2.20217 1.92983 2.15357 2.19964 1.81645 2.22737 2.23459 2.07465 2.09892 2.10939 2.08682 2.08830 2.10802 2.07892 2.11685 2.08738 2.09441 2.08945 2.09928 2.10390 2.07225 2.10703 2.09285 2.09364 2.09669 2.08071 2.10180 2.10051 2.08999 2.08681 2.10626 2.08622 2.08469 2.11225 2.09653 2.08802 2.09856 2.10139 2.08553 2.09625 2.09165 2.09579 2.09575 2.07942 2.05418 1.58638 2.10242 1.61645 1.79505 1.68384 1.80271 1.50914 2.08110 2.04866 2.10592 2.12383 2.11141 2.04599 1.95485 2.20023 2.12810 2.02878 1.93878 1.94100 1.85698 1.88797 1.91837 1.92096 0.02321 3.13965 -3.12542 -0.00897 0.00273 3.11072 3.13808 -0.03712 0.01233 3.13659 3.13158 -0.02735 0.00463 -3.03801 -3.10210 0.13844 -1.08287 2.03562 2.01977 -1.14492 -0.01031 3.03178 -3.13400 -0.09191 -0.95389 2.16777 2.16763 -0.99389 -2.94469 -0.12645 1.70671 0.31885 3.13709 -1.31293 3.11359 -0.03820 -0.00476 3.12664 -3.12458 0.02612 -0.00656 -3.13904 0.01118 3.14133 -3.12010 0.01006 0.01154 -3.13524 -3.13901 -0.00260 -0.00627 3.13401 -3.13637 0.00392 -0.00520 3.13771 -3.14150 0.00140 3.11829 -0.03999 -0.00339 3.12152 -3.12907 0.01945 -0.00763 3.14089 0.01084 3.13896 -3.11388 0.01425 0.01127 -3.13627 -3.13736 -0.00172 -0.00724 3.13269 -3.13528 0.00465 -0.00388 3.13937 -3.13949 0.00376 -0.61234 -2.74400 1.43275 -2.69323 1.45830 -0.64813 1.45948 -0.67218 -2.77861 -1.41997 1.65261 3.02419 -0.18642 0.21727 -2.99333 3.13151 -0.00684 -0.07612 3.06871 3.13607 -0.00861 -1.07016 1.03371 3.12555 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00002 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 -0.00003 -0.00000 0.00002 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 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 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00002 -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 0.00001 0.00024 -0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00002 -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 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00002 -0.00003 -0.00003 0.00003 -0.00000 -0.00002 -0.00004 0.00009 -0.00008 -0.00001 0.00004 -0.00001 0.00001 -0.00002 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00005 -0.00003 -0.00001 0.00001 -0.00000 -0.00001 0.00003 0.00003 -0.00001 -0.00015 0.00001 -0.00013 -0.00000 -0.00010 0.00000 -0.00010 -0.00011 -0.00013 -0.00012 -0.00013 0.00001 0.00010 0.00015 0.00025 -0.00020 -0.00018 -0.00036 -0.00034 0.00006 0.00012 0.00008 -0.00006 -0.00000 -0.00004 -0.00004 -0.00003 -0.00002 -0.00001 0.00003 0.00004 0.00001 0.00002 0.00002 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00002 0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00002 0.00002 0.00000 0.00001 -0.00002 -0.00002 -0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00016 0.00016 0.00018 0.00014 0.00014 0.00016 0.00011 0.00011 0.00014 -0.00004 0.00007 -0.00004 0.00006 -0.00009 0.00002 -0.00030 -0.00028 -0.00021 -0.00018 0.00004 0.00001 0.00028 0.00027 0.00026 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00024 -0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00002 -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 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00002 -0.00003 -0.00003 0.00003 -0.00000 -0.00002 -0.00004 0.00009 -0.00008 -0.00001 0.00004 -0.00001 0.00001 -0.00002 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00005 -0.00003 -0.00001 0.00001 -0.00000 -0.00001 0.00003 0.00003 -0.00001 -0.00015 0.00001 -0.00013 -0.00000 -0.00010 0.00000 -0.00010 -0.00011 -0.00013 -0.00012 -0.00013 0.00001 0.00010 0.00015 0.00025 -0.00020 -0.00018 -0.00036 -0.00034 0.00006 0.00012 0.00008 -0.00006 -0.00000 -0.00004 -0.00004 -0.00003 -0.00002 -0.00001 0.00003 0.00004 0.00001 0.00002 0.00002 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00002 0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00002 0.00002 0.00000 0.00001 -0.00002 -0.00002 -0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00016 0.00016 0.00018 0.00014 0.00014 0.00016 0.00011 0.00011 0.00014 -0.00004 0.00007 -0.00004 0.00006 -0.00009 0.00002 -0.00030 -0.00028 -0.00021 -0.00018 0.00004 0.00001 0.00028 0.00027 0.00026 2.55475 2.05164 2.61375 2.05147 2.61904 2.60625 2.69747 2.61249 2.68561 2.88901 2.63748 2.63275 2.63302 2.06398 2.63173 2.06319 2.63537 2.06352 2.63552 2.06303 2.06384 2.63880 2.63756 2.63312 2.06372 2.62995 2.06040 2.63383 2.06324 2.63650 2.06318 2.06318 2.27903 2.27817 4.57884 2.06496 2.57531 2.06160 2.06230 2.75954 2.54186 2.29797 2.66906 2.07988 2.07931 2.07166 2.28480 1.87562 2.12275 2.28565 1.87130 2.12596 1.93149 2.14898 2.20216 1.92983 2.15359 2.19962 1.81645 2.22737 2.23460 2.07465 2.09891 2.10939 2.08682 2.08830 2.10802 2.07892 2.11684 2.08739 2.09441 2.08944 2.09928 2.10390 2.07226 2.10702 2.09285 2.09364 2.09669 2.08071 2.10179 2.10051 2.08999 2.08680 2.10627 2.08622 2.08469 2.11226 2.09653 2.08802 2.09856 2.10139 2.08553 2.09625 2.09165 2.09579 2.09575 2.07944 2.05415 1.58635 2.10245 1.61645 1.79503 1.68380 1.80280 1.50905 2.08109 2.04870 2.10590 2.12384 2.11139 2.04600 1.95486 2.20022 2.12810 2.02878 1.93879 1.94100 1.85698 1.88797 1.91838 1.92095 0.02315 3.13962 -3.12543 -0.00897 0.00273 3.11071 3.13811 -0.03709 0.01233 3.13644 3.13159 -0.02748 0.00463 -3.03811 -3.10210 0.13834 -1.08298 2.03549 2.01966 -1.14506 -0.01031 3.03188 -3.13385 -0.09167 -0.95409 2.16759 2.16727 -0.99424 -2.94463 -0.12634 1.70679 0.31879 3.13709 -1.31298 3.11355 -0.03823 -0.00478 3.12663 -3.12455 0.02616 -0.00654 -3.13902 0.01119 3.14133 -3.12010 0.01005 0.01154 -3.13525 -3.13901 -0.00261 -0.00627 3.13400 -3.13635 0.00393 -0.00521 3.13770 -3.14150 0.00141 3.11831 -0.03996 -0.00339 3.12153 -3.12908 0.01943 -0.00763 3.14088 0.01084 3.13897 -3.11388 0.01424 0.01127 -3.13627 -3.13736 -0.00171 -0.00725 3.13269 -3.13529 0.00464 -0.00388 3.13937 -3.13949 0.00376 -0.61219 -2.74385 1.43293 -2.69309 1.45844 -0.64797 1.45959 -0.67207 -2.77847 -1.42001 1.65268 3.02415 -0.18635 0.21718 -2.99332 3.13121 -0.00712 -0.07632 3.06853 3.13610 -0.00860 -1.06988 1.03399 3.12582 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000026 0.000005 0.001314 0.000321 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -6.280347e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 1 1 2 2 5 5 6 6 7 8 8 9 9 10 10 11 11 13 13 15 19 19 20 20 21 21 22 22 24 24 26 30 30 30 33 33 33 35 35 38 38 39 41 41 41 2 3 5 4 6 7 8 7 19 30 9 10 11 12 13 14 15 16 15 17 18 20 21 22 23 24 25 26 27 26 28 29 31 32 33 34 35 37 36 38 39 40 41 42 43 44 1.3519 1.0857 1.3831 1.0856 1.3859 1.3792 1.4274 1.3825 1.4212 1.5288 1.3957 1.3932 1.3933 1.0922 1.3927 1.0918 1.3946 1.092 1.3947 1.0917 1.0921 1.3964 1.3957 1.3934 1.0921 1.3917 1.0903 1.3938 1.0918 1.3952 1.0918 1.0918 1.206 1.2056 2.4229 1.0927 1.3628 1.091 1.0913 1.4603 1.3451 1.216 1.4124 1.1006 1.1003 1.0963 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 2 2 3 1 1 4 1 1 7 2 2 7 5 5 6 5 5 9 8 8 11 8 8 13 9 9 15 10 10 15 11 11 13 6 6 20 19 19 22 19 19 24 20 20 26 21 21 26 22 22 24 7 7 7 31 31 32 30 30 30 34 34 35 33 33 36 35 35 39 38 39 39 39 42 42 43 1 1 1 2 2 2 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 13 13 13 15 15 15 19 19 19 20 20 20 21 21 21 22 22 22 24 24 24 26 26 26 30 30 30 30 30 30 33 33 33 33 33 33 35 35 35 38 38 38 39 41 41 41 41 41 41 3 5 5 4 6 6 7 8 8 7 19 19 6 30 30 9 10 10 11 12 12 13 14 14 15 16 16 15 17 17 13 18 18 20 21 21 22 23 23 24 25 25 26 27 27 26 28 28 24 29 29 31 32 33 32 33 33 34 35 37 35 37 37 36 38 38 39 40 40 41 42 43 44 43 44 44 130.909 107.4653 121.6244 130.9582 107.2178 121.8086 110.6664 123.127 126.1752 110.5712 123.3906 126.0299 104.0748 127.6189 128.0325 118.8685 120.259 120.859 119.566 119.6508 120.7806 119.1133 121.2863 119.5983 120.0007 119.7164 120.2796 120.5445 118.7312 120.7236 119.9116 119.957 120.1314 119.2158 120.4242 120.3501 119.7479 119.5652 120.68 119.5317 119.444 121.0231 120.1223 119.6345 120.2387 120.4007 119.4918 120.1065 119.8426 120.0799 120.0774 119.1418 117.696 90.8928 120.4597 92.616 102.8488 96.4771 103.2875 86.4673 119.2384 117.3798 120.6601 121.6866 120.9749 117.2265 112.0049 126.0637 121.9311 116.2406 111.0841 111.2113 106.3972 108.1729 109.9148 110.0629 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 3 3 5 5 2 2 3 3 1 1 4 4 1 1 8 8 1 1 7 7 2 2 19 19 2 2 7 7 5 5 5 6 6 6 5 5 10 10 5 5 9 9 8 8 12 12 8 8 14 14 9 9 16 16 10 10 17 17 6 6 21 21 6 6 20 20 19 19 23 23 19 19 25 25 20 20 27 27 21 21 28 28 7 7 7 31 31 31 32 32 32 30 30 34 34 37 37 33 33 36 36 35 40 38 38 1 1 1 1 1 1 1 1 2 2 2 2 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 13 13 13 13 19 19 19 19 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 30 30 30 30 30 30 30 30 30 33 33 33 33 33 33 35 35 35 35 38 38 39 39 2 2 2 2 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 7 7 7 7 19 19 19 19 30 30 30 30 30 30 9 9 9 9 10 10 10 10 11 11 11 11 13 13 13 13 15 15 15 15 15 15 15 15 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 26 26 26 26 26 26 26 26 33 33 33 33 33 33 33 33 33 35 35 35 35 35 35 38 38 38 38 39 39 41 41 4 6 4 6 7 8 7 8 7 19 7 19 6 30 6 30 9 10 9 10 5 30 5 30 20 21 20 21 31 32 33 31 32 33 11 12 11 12 13 14 13 14 15 16 15 16 15 17 15 17 13 18 13 18 11 18 11 18 22 23 22 23 24 25 24 25 26 27 26 27 26 28 26 28 24 29 24 29 22 29 22 29 34 35 37 34 35 37 34 35 37 36 38 36 38 36 38 39 40 39 40 41 41 42 43 1.3297 179.8888 -179.0732 -0.5142 0.1562 178.2311 179.7986 -2.1265 0.7067 179.7132 179.4262 -1.5673 0.2655 -174.0654 -177.7372 7.932 -62.0438 116.6324 115.7246 -65.5992 -0.5908 173.708 -179.5651 -5.2662 -54.654 124.2042 124.1958 -56.946 -168.7185 -7.2453 97.7871 18.2689 179.742 -75.2256 178.3956 -2.1886 -0.2725 179.1433 -179.0253 1.4967 -0.3758 -179.8537 0.6404 179.9851 -178.7686 0.5761 0.661 -179.636 -179.8521 -0.1491 -0.3595 179.5654 -179.7006 0.2243 -0.2979 179.7774 -179.9949 0.0803 178.6649 -2.2911 -0.1942 178.8498 -179.2823 1.1146 -0.437 179.9599 0.6212 179.8493 -178.4119 0.8163 0.6458 -179.6952 -179.7575 -0.0985 -0.415 179.4899 -179.6385 0.2664 -0.2225 179.8725 -179.8795 0.2156 -35.0848 -157.2198 82.0905 -154.3106 83.5544 -37.1353 83.6221 -38.5129 -159.2027 -81.3583 94.6877 173.2731 -10.6808 12.4487 -171.5052 179.4224 -0.3921 -4.3611 175.8244 179.6833 -0.4934 -61.3157 59.2274 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 Grimme-D2 -0.0323183262 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 299.0264999999999 AuxInfo=1/0/N:15,26,11,13,22,24,9,10,20,21,1,2,8,19,7,30,5,6;33,41,35,38,40,39/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3;1.3,3.3,4.3,5.1/rA:44nC3C3HHNNC3C3C3C3C3HC3HC3HHHC3C3C3C3HC3HC3HHHBHHC3HC3HHC3OO1CHHH/rB:s1;s1;s2;s1;s2;s5s6;s5;s8;s8;s9;s9;s10;s10;s11s13;s11;s13;s15;s6;s19;s19;s20;s20;s21;s21;s22s24;s22;s24;s26;s7;s30;s30;;s33;s33;s35;s33;s35;s38;s38;s39;s41;s41;s41;/rC:-1.9218,-2.8667,1.0328;-3.1347,-2.2715,1.021;-1.6335,-3.9001,1.1966;-4.1327,-2.6716,1.1693;-.9826,-1.8679,.8305;-2.9103,-.9206,.8104;-1.5839,-.6591,.6856;.4245,-2.1371,.8128;1.2958,-1.3788,1.589;.8963,-3.1775,.0109;2.6587,-1.6588,1.5484;.9217,-.5376,2.1717;2.2583,-3.4653,-.0031;.203,-3.7438,-.6145;3.1407,-2.7042,.7637;3.3424,-1.0276,2.1165;2.6326,-4.2757,-.6319;4.2111,-2.918,.7359;-3.9744,.0346,.7708;-4.9889,-.1235,-.1708;-4.0075,1.0801,1.6912;-6.0542,.7751,-.1877;-4.9345,-.939,-.8949;-5.0702,1.9778,1.6612;-3.1926,1.1927,2.4072;-6.0949,1.8261,.7264;-6.8492,.6573,-.9266;-5.0961,2.8042,2.3739;-6.9264,2.5334,.7083;-.9276,.803,.4667;-1.8314,1.5578,.1313;-.5158,1.1392,1.5817;.9814,.8429,-1.3264;1.7137,.0395,-1.1631;1.6594,2.1405,-1.235;1.2662,3.0227,-1.7461;.5267,.7119,-2.3217;2.7654,2.3477,-.3289;3.1971,3.6325,-.3287;3.287,1.4981,.3724;4.2757,3.9198,.5314;4.0175,3.7097,1.5811;5.1638,3.3214,.275;4.4969,4.987,.4084; 0.000000 1.351139 0.000000 1.085307 2.221903 0.000000 2.223680 1.085391 2.784926 0.000000 1.385847 2.197848 2.165111 3.268569 0.000000 2.194063 1.385449 3.264481 2.165367 2.147968 0.000000 2.260127 2.262126 3.281425 3.283358 1.357799 1.357744 0.000000 2.466899 3.567762 2.736957 4.602203 1.432713 3.549733 2.496786 0.000000 3.588277 4.555038 3.884820 5.596013 2.450629 4.302019 3.102622 1.391628 0.000000 3.013779 4.253287 2.885909 5.185466 2.432549 4.497043 3.598450 1.395753 2.425918 0.000000 4.765067 5.849537 4.854985 6.876956 3.717321 5.666018 4.443322 2.400369 1.392002 2.788584 0.000000 3.848013 4.559039 4.334371 5.577233 2.682357 4.084655 2.915659 2.156907 1.089545 3.411546 2.159342 0.000000 4.347990 5.617723 4.095757 6.545976 3.708152 5.818263 4.807428 2.406846 2.795467 1.392137 2.414707 3.884280 0.000000 2.828024 3.997833 2.584071 4.809333 2.648142 4.437711 3.794511 2.160493 3.412136 1.092067 3.880202 4.308035 2.162384 0.000000 5.072270 6.295578 4.940789 7.284784 4.207832 6.308601 5.148787 2.775265 2.416917 2.414125 1.393136 3.405935 1.394965 3.407450 0.000000 5.680511 6.685807 5.818723 7.712110 4.589740 6.388582 5.143072 3.383031 2.142503 3.877946 1.090192 2.470411 3.407332 4.969081 2.163643 0.000000 5.049606 6.325339 4.656607 7.182332 4.583158 6.637764 5.709050 3.396497 3.887268 2.152568 3.406189 4.975938 1.091824 2.487176 2.162285 4.313566 0.000000 6.140276 7.379681 5.944464 8.358653 5.299643 7.396580 6.219824 3.867068 3.405257 3.403009 2.157649 4.306682 2.158454 4.309359 1.091855 2.496767 2.491166 0.000000 3.563620 2.466894 4.598151 2.739907 3.545963 1.430482 2.490642 4.905929 5.517436 5.883809 6.889903 5.124666 7.189944 5.800497 7.624053 7.515003 8.012348 8.701798 0.000000 4.287297 3.077673 5.233644 3.003596 4.482806 2.432785 3.551686 5.858864 6.646001 6.632941 7.987385 6.371317 7.982354 6.344996 8.580427 8.686726 8.691348 9.657666 1.393035 0.000000 4.512294 3.527601 5.539222 3.789875 4.310598 2.445911 3.148015 5.546530 5.846458 6.708051 7.208328 5.210060 7.924116 6.805452 8.141109 7.657944 8.841425 9.189218 1.393351 2.424590 0.000000 5.641740 4.389307 6.581514 4.172925 5.808868 3.708848 4.775307 7.173203 7.862432 7.998277 9.211543 7.480185 9.333441 7.730120 9.877096 9.841496 10.058184 10.948406 2.406753 1.393784 2.795056 0.000000 4.063086 2.947109 4.902966 2.811726 4.411018 2.646809 3.715254 5.750656 6.721549 6.311104 8.009025 6.622707 7.675561 5.859956 8.430657 8.808132 8.274219 9.498282 2.154998 1.091980 3.409408 2.166103 0.000000 5.811764 4.713001 6.824709 4.768394 5.673436 3.713475 4.478820 6.916908 7.197064 8.056079 8.542470 6.518509 9.279268 8.106919 9.494515 8.944940 10.183155 10.534090 2.402042 2.788938 1.391459 2.415214 3.880717 0.000000 4.470183 3.731665 5.461971 4.165165 4.091130 2.663766 2.996869 5.168454 5.237152 6.446738 6.565567 4.469579 7.564347 6.710423 7.615631 6.908035 8.548188 8.631658 2.151844 3.406579 1.090571 3.885430 4.299094 2.167540 0.000000 6.287364 5.063541 7.274221 4.926988 6.308073 4.206304 5.150490 7.629974 8.101704 8.627017 9.457593 7.543804 9.915019 8.513810 10.286966 9.956860 10.735217 11.345469 2.776311 2.414325 2.417582 1.393478 3.408934 1.395332 3.413155 0.000000 6.366840 5.115440 7.244338 4.780488 6.624205 4.584892 5.661768 7.983712 8.764345 8.693523 10.094034 8.450662 10.039674 8.318625 10.674948 10.768813 10.692233 11.742038 3.396005 2.154417 3.886743 1.091702 2.492998 3.406653 4.977069 2.160407 0.000000 6.635823 5.607148 7.637002 5.688888 6.413401 4.593120 5.213548 7.571695 7.679207 8.790585 8.985409 6.886444 9.952138 8.937986 10.038964 9.271368 10.903755 11.047649 3.391045 3.880487 2.150305 3.405434 4.972209 1.091572 2.494290 2.160691 4.309954 0.000000 7.369746 6.128788 8.345287 5.925330 7.396992 5.298114 6.223828 8.709789 9.148000 9.710659 10.495503 8.553726 10.993214 9.590717 11.348272 10.959619 11.812453 12.400111 3.868142 3.403822 3.405669 2.157618 4.312285 2.159258 4.315704 1.091835 2.489731 2.489497 0.000000 3.843944 3.825039 4.811548 4.779009 2.696173 2.649563 1.617554 3.254610 3.311133 4.402207 4.482479 2.850333 5.346952 4.808447 5.379632 4.930149 6.298825 6.350187 3.156883 4.214084 3.325869 5.168219 4.576409 4.468527 3.007901 5.273976 6.084994 5.001831 6.248048 0.000000 4.516365 4.141692 5.564494 4.925560 3.597931 2.787103 2.298589 4.382490 4.530821 5.466144 5.702317 4.016719 6.478902 5.727340 6.579302 6.115091 7.385081 7.543905 2.705859 3.589917 2.719670 4.306502 4.112916 3.606480 2.676941 4.313168 5.206518 4.152227 5.219548 1.224371 0.000000 4.280785 4.336509 5.176137 5.270053 3.134460 3.251350 2.275421 3.494217 3.102006 4.805778 4.231754 2.286121 5.604373 5.402190 5.367600 4.457274 6.643268 6.286478 3.720155 4.967235 3.493829 5.825502 5.475103 4.631599 2.801681 5.685890 6.828962 4.937491 6.618330 1.235210 2.002436 0.000000 5.268355 5.670235 5.974928 6.688332 3.982203 4.777159 3.589531 3.710364 3.678906 4.237819 4.163676 3.761111 4.684237 4.706421 4.648982 4.574555 5.422942 5.369175 5.441653 6.157396 5.835304 7.127445 6.193446 6.843664 5.611112 7.433364 7.842972 7.380736 8.338561 2.619400 3.247769 3.284291 0.000000 5.146337 5.798059 5.682677 6.853468 3.857800 5.118385 3.844416 3.209967 3.124132 3.520699 3.336059 3.475769 3.731712 4.110532 3.643731 3.814040 4.443771 4.311579 6.007863 6.777588 6.477755 7.863349 6.725137 7.599668 6.176464 8.230215 8.588382 8.156441 9.185502 3.196228 4.068007 3.703242 1.099260 0.000000 6.560481 6.894792 7.296931 7.904742 5.226250 5.868258 4.695244 4.900642 4.526869 5.514999 4.814572 4.395655 5.770669 6.093498 5.446066 4.909330 6.517465 5.998586 6.340203 7.103385 6.465337 7.903213 7.285484 7.328203 6.140551 8.004749 8.642427 7.687803 8.811804 3.373046 3.793724 3.697049 1.466893 2.102893 0.000000 7.250618 7.419797 8.061910 8.370959 5.967791 6.287225 5.252834 5.820709 5.522453 6.454983 5.891470 5.305073 6.790937 6.942407 6.527680 5.969546 7.508336 7.079870 6.536672 7.176816 6.587900 7.814641 7.407322 7.269937 6.362413 7.856956 8.492757 7.582980 8.566388 3.825780 3.907168 4.218737 2.238086 3.072442 1.092822 0.000000 5.482208 5.786177 6.190016 6.733863 4.343947 4.928296 3.921488 4.237062 4.500700 4.550324 5.014331 4.680594 5.081712 4.782561 5.293677 5.536404 5.671554 6.008336 5.502908 5.978778 6.066064 6.918487 5.880936 6.985061 6.035463 7.374126 7.506836 7.618536 8.249084 3.146200 3.506183 4.062744 1.102059 1.789857 2.122429 2.493598 0.000000 7.142441 7.613830 7.791902 8.661512 5.758777 6.647868 5.383917 5.186257 4.441313 5.842670 4.425789 4.239957 5.844156 6.614693 5.182296 4.207801 6.631625 5.563359 7.210100 8.140096 7.180505 8.959831 8.391150 8.092875 6.657232 8.938217 9.780373 8.325723 9.748977 4.081391 4.686886 3.984683 2.538169 2.670183 1.444723 2.170665 3.414534 0.000000 8.384286 8.761835 9.077562 9.783186 7.004863 7.702517 6.504165 6.502224 5.692629 7.196157 5.640140 5.368346 7.166991 7.965925 6.430404 5.264690 7.934074 6.713434 8.098416 9.007893 7.905699 9.683501 9.345647 8.662898 7.366562 9.524585 10.494604 8.761705 10.235661 5.064757 5.459097 4.863345 3.699524 3.975703 2.326334 2.471619 4.430863 1.355359 0.000000 6.827856 7.474546 7.350684 8.548299 5.456179 6.667024 5.336405 4.647926 3.704323 5.263794 3.426926 3.602248 5.082791 6.161430 4.223026 3.069887 5.896922 4.526360 7.418168 8.450749 7.424505 9.385866 8.668261 8.469602 6.798475 9.394339 10.253633 8.717155 10.271279 4.272628 5.124481 4.006613 2.937908 2.638336 2.376019 3.300944 3.936492 1.218886 2.248384 0.000000 9.204133 9.668733 9.824062 10.702940 7.825359 8.668655 7.438008 7.183093 6.170364 7.877941 5.896538 5.814430 7.674272 8.753872 6.724493 5.278271 8.439092 6.841100 9.122278 10.132751 8.832824 10.821811 10.510407 9.612115 8.168884 10.581615 11.684686 9.616106 11.288936 6.065679 6.560144 5.638548 4.875549 4.948906 3.623660 3.879246 5.699602 2.343576 1.409176 2.620503 0.000000 8.878363 9.340368 9.486426 10.359360 7.528264 8.368343 7.159895 6.905487 5.770728 7.722745 5.537897 5.288913 7.555456 8.655990 6.524934 4.815066 8.401271 6.684141 8.833724 9.943730 8.445562 10.638605 10.386504 9.251644 7.681421 10.321841 11.562495 9.192790 11.041552 5.843390 6.398667 5.211443 5.088241 5.129185 3.994178 4.371694 6.033599 2.659092 2.080022 2.624023 1.101128 0.000000 9.437806 10.035000 9.960097 11.096832 8.063232 9.136329 7.844979 7.248842 6.227379 7.779216 5.718318 6.040240 7.387682 8.678571 6.374878 5.061867 8.058821 6.328473 9.723982 10.730441 9.546766 11.512614 11.022446 10.414480 8.882976 11.366541 12.363359 10.485168 12.123613 6.594256 7.215530 6.223162 5.118567 4.974129 3.994381 4.400557 5.920699 2.657966 2.080674 2.618396 1.101189 1.780610 0.000000 10.162187 10.549956 10.825191 11.562966 8.785955 9.483056 8.302468 8.215917 7.222522 8.932020 6.988930 6.812660 8.753382 9.783196 7.817914 6.358163 9.505522 7.916913 9.819416 10.790374 9.446332 11.376302 11.214570 10.107123 8.804571 11.057983 12.217285 10.032624 11.687689 6.850863 7.203028 6.427267 5.704553 5.890129 4.342205 4.351710 6.441442 3.241517 2.016825 3.692872 1.096842 1.799005 1.799130 0.000000 C19H20BN2O2(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 0 299.0264999999999 AuxInfo=1/0/N:15,26,11,13,22,24,9,10,20,21,1,2,8,19,7,30,5,6;33,41,35,38,40,39/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3;1.3,3.3,4.3,5.1/rA:44nC3C3HHNNC3C3C3C3C3HC3HC3HHHC3C3C3C3HC3HC3HHHBHHC3HC3HHC3OO1CHHH/rB:s1;s1;s2;s1;s2;s5s6;s5;s8;s8;s9;s9;s10;s10;s11s13;s11;s13;s15;s6;s19;s19;s20;s20;s21;s21;s22s24;s22;s24;s26;s7;s30;s30;;s33;s33;s35;s33;s35;s38;s38;s39;s41;s41;s41;/rC:-1.6815,2.7584,-.1943;-2.8375,2.0594,-.1687;-1.4913,3.8239,-.2739;-3.8729,2.3813,-.2185;-.6515,1.8324,-.1452;-2.4886,.7202,-.1034;-1.1397,.567,-.0829;.7265,2.2226,-.1845;1.6035,1.6186,-1.0804;1.1634,3.223,.6851;2.9383,2.0134,-1.0933;1.2621,.8043,-1.7188;2.4948,3.6279,.6467;.4691,3.6661,1.4022;3.3837,3.0213,-.2409;3.6322,1.4999,-1.7591;2.842,4.4074,1.3278;4.4322,3.3257,-.2556;-3.465,-.3252,-.0938;-4.4237,-.3444,.9167;-3.4731,-1.2811,-1.1076;-5.4075,-1.3317,.9093;-4.3885,.4031,1.712;-4.4536,-2.2684,-1.1021;-2.7016,-1.2551,-1.8779;-5.4224,-2.2941,-.0982;-6.1582,-1.3527,1.7017;-4.4588,-3.0252,-1.8886;-6.1895,-3.0711,-.0997;-.3516,-.8451,-.0456;-1.1654,-1.7046,.2679;.0109,-1.0402,-1.2102;1.67,-.8793,1.6196;2.3208,-.0026,1.492;2.4454,-2.0979,1.3633;2.1616,-3.0545,1.8088;1.2738,-.8807,2.648;3.5015,-2.1226,.3778;4.0369,-3.3586,.2278;3.9029,-1.1696,-.2675;5.0755,-3.4694,-.7182;4.7311,-3.188,-1.7255;5.9263,-2.8206,-.4577;5.3919,-4.5196,-.7123; 0.2956025 0.1395969 0.1023210 -19.26060 -19.19713 -14.54202 -14.53971 -10.38704 -10.37677 -10.36812 -10.36616 -10.36516 -10.35815 -10.32904 -10.32546 -10.32514 -10.32481 -10.32321 -10.32279 -10.31857 -10.31372 -10.30964 -10.30887 -10.30640 -10.27703 -10.27479 -6.82830 -1.17364 -1.15847 -1.06530 -1.06043 -0.97775 -0.95717 -0.90170 -0.87610 -0.86292 -0.84984 -0.84399 -0.83659 -0.77696 -0.77398 -0.75396 -0.72209 -0.71157 -0.69751 -0.69084 -0.67708 -0.66713 -0.63386 -0.60559 -0.60168 -0.59658 -0.58326 -0.57566 -0.57045 -0.56290 -0.55981 -0.55229 -0.54314 -0.54133 -0.53635 -0.52939 -0.52684 -0.52524 -0.51554 -0.48758 -0.48422 -0.47378 -0.46509 -0.45599 -0.45478 -0.45114 -0.44182 -0.43728 -0.42031 -0.41515 -0.40864 -0.40266 -0.38756 -0.35861 -0.35440 -0.35145 -0.34605 -0.34097 -0.32699 -0.32396 -0.32065 -0.20890 0.01920 0.03679 0.04397 0.05212 0.06085 0.07768 0.11045 0.12911 0.14114 0.14397 0.16748 0.17337 0.17713 0.17943 0.18367 0.19016 0.19605 0.20035 0.20403 0.21149 0.21511 0.22188 0.22306 0.22567 0.22841 0.23402 0.23923 0.24342 0.24819 0.24903 0.26009 0.27023 0.28405 0.29466 0.30282 0.31112 0.31608 0.33948 0.34930 0.35088 0.35548 0.36565 0.37411 0.37556 0.38047 0.38839 0.39666 0.40594 0.41666 0.42046 0.42984 0.43504 0.43769 0.44116 0.45091 0.46835 0.47573 0.48104 0.48264 0.49003 0.49670 0.50670 0.50910 0.51302 0.51812 0.52416 0.54682 0.54925 0.55327 0.55708 0.55852 0.56268 0.56571 0.57136 0.57750 0.58507 0.59039 0.60211 0.60273 0.61187 0.61717 0.63113 0.63554 0.63639 0.64424 0.64797 0.66137 0.67035 0.68651 0.68979 0.69292 0.69907 0.70191 0.70979 0.71152 0.71407 0.72328 0.72604 0.73394 0.73663 0.73871 0.74476 0.74848 0.74998 0.75697 0.75858 0.76201 0.76236 0.77258 0.77816 0.78297 0.78417 0.79423 0.79696 0.80282 0.80695 0.80810 0.81662 0.82155 0.82340 0.82886 0.83457 0.83798 0.85374 0.85643 0.86596 0.87235 0.88414 0.88979 0.89483 0.89768 0.90831 0.91401 0.92177 0.93248 0.95113 0.95598 0.96148 0.96719 0.97540 0.98836 1.00455 1.01566 1.02288 1.04903 1.05524 1.09797 1.11202 1.12313 1.14123 1.14536 1.16865 1.17784 1.18515 1.19557 1.20281 1.23630 1.24338 1.25135 1.26766 1.27021 1.28003 1.28264 1.29695 1.30387 1.31137 1.31756 1.32442 1.33271 1.33841 1.34097 1.34862 1.35585 1.36082 1.37220 1.37765 1.38208 1.38553 1.39887 1.41982 1.43042 1.46135 1.46760 1.49968 1.53451 1.55578 1.56452 1.58026 1.60028 1.61953 1.62372 1.62587 1.64486 1.68079 1.68404 1.69190 1.70218 1.71275 1.71943 1.73491 1.74248 1.74717 1.75875 1.76367 1.77158 1.78103 1.79022 1.80246 1.80972 1.81190 1.81719 1.82309 1.82875 1.83352 1.84009 1.84093 1.84518 1.84591 1.84897 1.85798 1.86440 1.87201 1.87541 1.87768 1.88358 1.89209 1.90163 1.90904 1.91123 1.92340 1.93131 1.93966 1.94731 1.95432 1.97145 1.98796 1.99626 2.00173 2.00696 2.01525 2.02433 2.03001 2.03824 2.04597 2.05059 2.05341 2.06313 2.06656 2.07463 2.08238 2.08839 2.09820 2.11035 2.12263 2.14948 2.15579 2.16365 2.16597 2.17325 2.19661 2.20974 2.21541 2.22449 2.22986 2.23545 2.23943 2.25935 2.29007 2.30717 2.32707 2.33181 2.34122 2.34489 2.34976 2.35753 2.36837 2.37259 2.37794 2.38791 2.38929 2.40509 2.41236 2.41794 2.42353 2.42480 2.43605 2.44703 2.48070 2.48319 2.49672 2.50624 2.53356 2.58922 2.59632 2.60880 2.62519 2.63796 2.65204 2.66255 2.68159 2.69026 2.70160 2.70358 2.71164 2.72329 2.72755 2.74357 2.76542 2.77142 2.78430 2.79372 2.79859 2.80294 2.80849 2.81549 2.82638 2.83006 2.90039 2.91425 2.92646 2.94146 2.94534 2.95710 2.95858 2.96276 2.97664 2.98144 2.98792 3.01534 3.02496 3.06708 3.09459 3.10681 3.12753 3.14718 3.15744 3.19866 3.21426 3.22206 3.27621 3.31984 3.33506 3.35069 3.42703 3.46016 3.56483 3.57188 3.74169 3.75525 3.76377 3.80459 -19.25991 -19.19452 -14.54129 -14.53918 -10.38713 -10.37716 -10.36815 -10.36612 -10.36511 -10.35812 -10.32899 -10.32542 -10.32513 -10.32485 -10.32319 -10.32278 -10.31859 -10.31369 -10.30962 -10.30888 -10.30637 -10.28026 -10.26820 -6.82456 -1.17266 -1.15636 -1.06413 -1.05583 -0.97763 -0.95701 -0.90117 -0.87565 -0.86281 -0.84977 -0.84383 -0.82575 -0.77619 -0.77348 -0.75341 -0.72188 -0.71124 -0.69708 -0.68878 -0.67336 -0.66654 -0.63363 -0.60341 -0.60153 -0.59520 -0.58254 -0.57095 -0.56821 -0.56138 -0.55823 -0.54622 -0.54281 -0.53733 -0.53583 -0.52913 -0.52609 -0.52341 -0.51537 -0.48703 -0.48287 -0.47306 -0.46495 -0.45443 -0.45113 -0.44513 -0.44138 -0.43450 -0.41832 -0.41400 -0.40489 -0.40109 -0.38423 -0.35708 -0.34987 -0.34507 -0.34108 -0.34033 -0.32504 -0.31711 -0.30357 0.00633 0.02838 0.03802 0.04519 0.05269 0.07023 0.07956 0.12512 0.13427 0.14142 0.14431 0.16827 0.17389 0.17957 0.18101 0.19041 0.19553 0.19740 0.20072 0.20588 0.21213 0.21660 0.22282 0.22401 0.22790 0.22957 0.23502 0.23986 0.24432 0.25071 0.25349 0.26351 0.27147 0.28686 0.29714 0.30554 0.31221 0.31840 0.34002 0.34937 0.35167 0.35656 0.36639 0.37449 0.37631 0.38140 0.38890 0.39744 0.40791 0.41791 0.42119 0.43129 0.43537 0.44041 0.44305 0.45374 0.46897 0.47654 0.48264 0.48318 0.49179 0.49720 0.50781 0.51248 0.51533 0.52250 0.52904 0.54772 0.54991 0.55472 0.55742 0.55902 0.56341 0.56598 0.57281 0.57841 0.58722 0.59329 0.60258 0.60343 0.61303 0.61921 0.63225 0.63662 0.63967 0.64618 0.64974 0.66295 0.67160 0.68798 0.69039 0.69430 0.70029 0.70249 0.71160 0.71263 0.71500 0.72546 0.72652 0.73489 0.73713 0.73927 0.74540 0.74963 0.75081 0.75789 0.75961 0.76220 0.76370 0.77339 0.77972 0.78374 0.78555 0.79546 0.79809 0.80507 0.80689 0.81286 0.81826 0.82206 0.82418 0.83005 0.83488 0.83927 0.85413 0.85729 0.86675 0.87448 0.88438 0.89151 0.89499 0.89915 0.90849 0.91530 0.92428 0.93241 0.95312 0.95745 0.96314 0.96884 0.97684 0.98930 1.00532 1.01590 1.02519 1.05065 1.05695 1.09849 1.11407 1.12538 1.14207 1.14637 1.17037 1.17944 1.18806 1.20259 1.20964 1.23750 1.24446 1.25391 1.26933 1.27288 1.28076 1.28348 1.30049 1.30463 1.31207 1.31794 1.32543 1.33458 1.33922 1.34133 1.35170 1.35716 1.36143 1.37486 1.37860 1.38344 1.38824 1.39944 1.42444 1.43583 1.46820 1.47360 1.50207 1.53913 1.55780 1.56636 1.58120 1.60448 1.62359 1.62597 1.63110 1.64582 1.68165 1.68633 1.69361 1.70418 1.71337 1.72192 1.73654 1.74299 1.74861 1.75990 1.76492 1.77210 1.78160 1.79068 1.80322 1.81061 1.81531 1.81819 1.82342 1.82896 1.83470 1.84053 1.84140 1.84562 1.84676 1.84942 1.85833 1.86467 1.87257 1.87583 1.87875 1.88466 1.89254 1.90197 1.91051 1.91258 1.92895 1.93204 1.94078 1.94838 1.95483 1.97280 1.99095 1.99926 2.00386 2.00818 2.01541 2.02579 2.03040 2.03848 2.04672 2.05090 2.05388 2.06370 2.06738 2.07465 2.08443 2.08981 2.09934 2.11288 2.12461 2.15003 2.15936 2.16682 2.16708 2.17437 2.19695 2.21039 2.21648 2.22483 2.23006 2.23772 2.24008 2.25961 2.29130 2.30783 2.32751 2.34086 2.34455 2.34987 2.35692 2.35806 2.36908 2.37312 2.37845 2.38829 2.39042 2.40557 2.41275 2.41950 2.42436 2.42554 2.43630 2.44739 2.48103 2.48164 2.49721 2.50585 2.53479 2.58961 2.59678 2.61216 2.62968 2.63866 2.65266 2.66300 2.68323 2.69508 2.70513 2.71058 2.71287 2.72371 2.72847 2.74611 2.77171 2.77285 2.78448 2.79402 2.79873 2.80386 2.80891 2.81573 2.82819 2.83447 2.90165 2.91549 2.92706 2.94160 2.94539 2.95735 2.95870 2.96328 2.97748 2.98210 2.98963 3.01651 3.02750 3.06878 3.09484 3.10767 3.12614 3.14748 3.15762 3.19877 3.21675 3.22217 3.27641 3.32247 3.34100 3.35108 3.42779 3.46074 3.56507 3.57343 3.74185 3.75535 3.76528 3.80724 2-A. -6.1357 4.6016 -0.7059 7.7019 -119.9510 -127.3380 -137.8393 4.4143 -4.9842 7.8769 8.4251 1.0381 -9.4632 4.4143 -4.9842 7.8769 -44.4913 22.1391 -3.5357 -1.7650 -26.2600 1.7182 5.9346 -10.8075 -2.3702 9.1351 -8307.0102 -3968.5643 -710.9875 62.9156 -260.8419 -83.7684 144.5134 -32.3982 30.5097 -1841.9828 -1582.3785 -795.8012 93.8182 15.6257 -12.9529 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 299.0264999999999 AuxInfo=1/0/N:15,26,11,13,22,24,9,10,20,21,1,2,8,19,7,30,5,6;33,41,35,38,40,39/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3;1.3,3.3,4.3,5.1/rA:44nC3C3HHNNC3C3C3C3C3HC3HC3HHHC3C3C3C3HC3HC3HHHBHHC3HC3HHC3OO1CHHH/rB:s1;s1;s2;s1;s2;s5s6;s5;s8;s8;s9;s9;s10;s10;s11s13;s11;s13;s15;s6;s19;s19;s20;s20;s21;s21;s22s24;s22;s24;s26;s7;s30;s30;;s33;s33;s35;s33;s35;s38;s38;s39;s41;s41;s41;/rC:-1.4724,-2.7154,.5842;-2.6776,-2.1389,.3772;-1.1404,-3.7394,.4432;-3.6185,-2.5596,.0366;-.6144,-1.7312,1.0408;-2.5569,-.8014,.72;-1.2675,-.5199,1.1317;.7433,-1.9855,1.4008;1.0083,-2.8621,2.454;1.7818,-1.3872,.6905;2.3287,-3.1468,2.7958;.1791,-3.3092,3.0066;3.0978,-1.668,1.0491;1.5824,-.6986,-.133;3.3751,-2.5469,2.0958;2.5389,-3.8321,3.6196;3.9067,-1.191,.4922;4.4098,-2.7651,2.369;-3.6267,.1295,.6267;-4.2948,.2803,-.5902;-4.0211,.8672,1.744;-5.3633,1.1694,-.6867;-3.9635,-.2893,-1.461;-5.0808,1.7628,1.6355;-3.4894,.7373,2.687;-5.7553,1.915,.4237;-5.8827,1.2877,-1.6397;-5.3856,2.3432,2.5085;-6.5873,2.6176,.3451;-.6633,.843,1.4703;-1.3987,1.7682,1.7102;.4907,.8736,1.8177;-.5333,1.4119,-.8813;-.3047,.405,-1.2392;.437,2.3681,-.919;.2246,3.4102,-.6745;-1.5854,1.6896,-.803;1.8253,2.0191,-1.2073;2.6262,3.0997,-1.2116;2.2518,.9016,-1.4268;3.9934,2.8627,-1.4749;4.4357,2.2056,-.7107;4.1332,2.3884,-2.4578;4.4864,3.8417,-1.4562; 0.000000 1.351912 0.000000 1.085680 2.220068 0.000000 2.220417 1.085591 2.774560 0.000000 1.383140 2.205256 2.160220 3.274077 0.000000 2.204022 1.385937 3.273300 2.164575 2.177313 0.000000 2.271928 2.275635 3.294721 3.299547 1.379169 1.382472 0.000000 2.471557 3.573996 2.746183 4.606114 1.427436 3.571652 2.502744 0.000000 3.109916 4.292078 3.070877 5.229104 2.430901 4.468112 3.523317 1.395696 0.000000 3.516364 4.533093 3.759454 5.564686 2.445976 4.378117 3.200790 1.393191 2.425632 0.000000 4.418808 5.650547 4.233360 6.582443 3.707569 5.803389 4.754252 2.410072 1.393333 2.797860 0.000000 2.991286 4.055063 2.914977 4.879008 2.642705 4.359246 3.658946 2.156192 1.092211 3.409879 2.166076 0.000000 4.711680 5.833396 4.756149 6.850555 3.712800 5.730198 4.514571 2.401761 2.786733 1.392652 2.414471 3.878765 0.000000 3.730077 4.525744 4.122186 5.526511 2.696354 4.227548 3.123118 2.170904 3.420973 1.091792 3.889583 4.317622 2.152550 0.000000 5.080511 6.305169 4.954164 7.290556 4.206508 6.334690 5.156767 2.779350 2.414409 2.420477 1.394575 3.409606 1.394659 3.405530 0.000000 5.152781 6.371161 4.861678 7.236829 4.583367 6.600000 5.625748 3.399612 2.154574 3.889823 1.091969 2.493609 3.406392 4.981550 2.161695 0.000000 5.591611 6.653109 5.654202 7.662216 4.586175 6.479293 5.256594 3.385819 3.878369 2.143127 3.409087 4.970323 1.091709 2.456705 2.166252 4.315895 0.000000 6.147173 7.388498 5.955099 8.362814 5.298627 7.423591 6.229241 3.871483 3.403904 3.409179 2.158398 4.312960 2.160332 4.303987 1.092135 2.490530 2.500654 0.000000 3.568731 2.471533 4.602503 2.753100 3.564741 1.421162 2.498450 4.916177 5.811346 5.617414 7.134840 5.654385 6.973385 5.328932 7.638463 7.916179 7.649364 8.717707 0.000000 4.280077 3.066536 5.213008 2.985829 4.500165 2.430411 3.573452 5.871957 6.874933 6.430004 8.190304 6.770272 7.818804 5.975688 8.604354 9.018503 8.402377 9.685061 1.396396 0.000000 4.547048 3.565041 5.586651 3.849711 4.341850 2.444735 3.143397 5.563715 6.301335 6.313874 7.585439 6.056235 7.588743 6.113443 8.153740 8.284623 8.285675 9.201277 1.395736 2.422312 0.000000 5.643204 4.392016 6.573068 4.180063 5.826637 3.706582 4.789111 7.183390 8.167893 7.712597 9.482867 8.025962 9.091417 7.213781 9.895082 10.295821 9.638092 10.969499 2.412947 1.393385 2.793021 0.000000 4.034105 2.907485 4.847494 2.741514 4.422029 2.645265 3.747475 5.763707 6.831196 6.232320 8.116504 6.799973 7.619914 5.717336 8.461821 8.980240 8.158847 9.534646 2.155788 1.092073 3.407761 2.164946 0.000000 5.846336 4.752021 6.871811 4.835060 5.701789 3.712607 4.472749 6.929991 7.690065 7.609859 8.963918 7.434480 8.888424 7.320153 9.501981 9.659173 9.529248 10.540905 2.408283 2.787312 1.391709 2.413372 3.879163 0.000000 4.517860 3.777109 5.531104 4.232148 4.131494 2.665786 2.989341 5.194602 5.765402 6.023682 6.996375 5.471245 7.201397 5.978118 7.632642 7.621695 7.952212 8.646687 2.152443 3.405462 1.090316 3.883259 4.299368 2.165579 0.000000 6.309467 5.090039 7.298578 4.973699 6.332818 4.206732 5.154631 7.642009 8.525817 8.233035 9.828561 8.317482 9.571150 7.809176 10.298978 10.584752 10.149170 11.358530 2.785749 2.415226 2.418370 1.393763 3.409099 1.395173 3.412265 0.000000 6.357818 5.107135 7.218011 4.768492 6.637371 4.581925 5.678796 7.991431 9.025884 8.445689 10.332842 8.914344 9.829377 7.870485 10.694231 11.171275 10.320935 11.765676 3.401189 2.153620 3.884831 1.091821 2.490530 3.405230 4.975050 2.160407 0.000000 6.678689 5.653725 7.699628 5.768049 6.443516 4.592266 5.201062 7.584684 8.244983 8.281985 9.472744 7.947506 9.496705 8.048800 10.041532 10.107712 10.144045 11.048182 3.396399 3.879095 2.150558 3.404092 4.970912 1.091786 2.491178 2.160241 4.309199 0.000000 7.393219 6.157177 8.371895 5.975945 7.421010 5.298513 6.225950 8.720101 9.600410 9.284297 10.896321 9.380522 10.614286 8.830049 11.357206 11.645104 11.164668 12.409857 3.877530 3.404871 3.406779 2.158689 4.312373 2.159931 4.314702 1.091786 2.490823 2.489997 0.000000 3.755200 3.760809 4.720248 4.729361 2.610255 2.617790 1.528810 3.159691 4.182065 3.399985 5.160203 4.506730 4.541846 3.160752 5.309529 6.060531 5.096890 6.289808 3.162646 4.213067 3.369021 5.181597 4.556961 4.515281 3.078719 5.307850 6.092023 5.062452 6.285621 0.000000 4.623393 4.321784 5.657366 5.143829 3.648204 2.987486 2.363778 4.332942 5.271342 4.594737 6.263387 5.472713 5.697666 4.286004 6.446560 7.107348 6.195768 7.397515 2.970394 3.986592 2.773067 4.671334 4.568163 3.682862 2.527448 4.544957 5.617776 4.106455 5.431969 1.206011 0.000000 4.272659 4.603034 5.082261 5.643166 2.934260 3.646720 2.346027 2.900339 3.824671 2.836950 4.527531 4.359638 3.721194 2.732923 4.482915 5.439243 4.205731 5.376118 4.350284 5.389886 4.512413 6.374057 5.651729 5.644977 4.076241 6.483878 7.262666 6.096530 7.436953 1.205551 2.093294 0.000000 4.479202 4.334671 5.353319 5.112111 3.685104 3.399633 2.884977 4.287136 5.636266 3.957839 6.518730 6.157231 5.137781 3.080629 6.309558 7.562773 5.326785 7.241900 3.672501 3.938757 4.399218 4.839931 3.872469 5.209300 4.682517 5.406049 5.404361 5.991874 6.293502 2.422890 2.755285 2.936468 0.000000 3.798048 3.836019 4.550296 4.625860 3.139758 3.219700 2.721039 3.712469 5.102746 3.359895 5.985980 5.661839 4.594629 2.450063 5.777292 7.046084 4.824972 6.730138 3.820099 4.044478 4.787969 5.145757 3.730695 5.737478 5.066349 5.895310 5.661673 6.604350 6.846635 2.767992 3.428425 3.193243 1.092729 0.000000 5.634413 5.629686 6.453298 6.453105 4.663781 4.657829 3.930859 4.942593 6.249712 4.301275 6.913267 6.907168 5.219533 3.366680 6.471408 7.966174 5.166968 7.276252 4.890161 5.182314 5.405412 5.927324 5.169066 6.110450 5.574876 6.352357 6.451762 6.756531 7.141433 3.040632 3.262264 3.118693 1.362803 2.122745 0.000000 6.479715 6.349896 7.364069 7.135419 5.484606 5.236333 4.575484 5.804305 7.052957 5.225235 7.711402 7.661836 6.083965 4.361144 7.286148 8.731961 6.007536 8.056884 5.223827 5.498004 5.508320 6.020377 5.643123 6.016389 5.677827 6.261042 6.537266 6.537881 6.933173 3.461106 3.319333 3.566037 2.147241 3.103245 1.091321 0.000000 4.619604 4.152479 5.587925 4.784817 4.005566 3.077088 2.954016 4.877071 6.168752 4.799455 7.187687 6.527973 6.052781 4.023379 7.138462 8.188924 6.335469 8.114665 2.940189 3.061406 3.618816 3.815267 3.162976 4.262530 4.088013 4.352431 4.396460 5.082763 5.215157 2.595153 2.521310 3.441526 1.090951 1.865665 2.136288 2.500595 0.000000 6.041434 6.330499 6.684281 7.221298 5.007104 5.556378 4.635016 4.899959 6.156190 3.899481 6.554770 6.989837 4.506096 2.932381 5.844706 7.618705 4.186280 6.508268 6.054592 6.392154 6.649601 7.257288 6.237211 7.472712 6.712281 7.754790 7.754735 8.118451 8.575523 3.840038 4.355342 3.499146 2.457252 2.672616 1.460281 2.186689 3.450354 0.000000 7.337469 7.622168 7.981201 8.519566 6.238052 6.768642 5.809858 6.019118 7.183178 4.946046 7.427497 8.053362 5.297577 4.084149 6.586692 8.449792 4.790943 7.099164 7.162398 7.499014 7.609599 8.236058 7.414266 8.324122 7.627632 8.621330 8.710256 8.865669 9.356470 4.806901 5.148753 4.323525 3.597292 3.981463 2.326720 2.480462 4.460143 1.345095 0.000000 5.567376 6.066089 6.045058 6.970089 4.608240 5.534631 4.577370 4.313473 5.547271 3.153121 5.850304 6.456152 3.667204 2.163911 5.055960 6.925058 3.286348 5.701705 6.274464 6.628973 7.028765 7.655587 6.328394 7.992846 7.064786 8.280371 8.146464 8.711698 9.176750 4.110233 4.890555 3.691705 2.883506 2.610967 2.387862 3.311899 3.966608 1.216036 2.240145 0.000000 8.076490 8.540997 8.580411 9.467233 6.976057 7.819859 6.776033 6.506780 7.557821 5.257539 7.558084 8.527945 5.263033 4.505169 6.511217 8.537565 4.506604 6.827931 8.363799 8.726178 8.864294 9.541283 8.558491 9.655360 8.822220 9.977020 10.002344 10.203099 10.738893 5.868431 6.357498 5.202577 4.790496 4.956755 3.633480 3.891638 5.740303 2.341824 1.412403 2.623287 0.000000 7.797285 8.405742 8.232109 9.388100 6.638517 7.745006 6.584051 5.971392 6.887943 4.681294 6.736709 7.896217 4.459952 4.112082 5.620266 7.668315 3.641943 5.847452 8.432092 8.941046 8.906932 9.853592 8.793933 9.811412 8.746830 10.258044 10.400750 10.336290 11.081054 5.710760 6.331810 4.871308 5.034882 5.098265 4.007441 4.380174 6.043853 2.663743 2.079593 2.642480 1.100625 0.000000 8.168510 8.655654 8.589345 9.528611 7.193863 8.064167 7.107133 6.746213 7.839563 5.449396 7.841908 8.829374 5.461170 4.630412 6.757764 8.841465 4.643912 7.066320 8.650577 8.886119 9.298473 9.736805 8.586018 10.101703 9.343419 10.310676 10.109407 10.736564 11.083205 6.389428 6.954063 5.817433 5.021507 5.011329 4.003812 4.416098 5.994105 2.650770 2.080906 2.610243 1.100324 1.782556 0.000000 9.092066 9.510623 9.630288 10.435332 7.956850 8.712235 7.670045 7.491996 8.504597 6.266142 8.460195 9.466037 6.209760 5.549640 7.393640 9.404471 5.427751 7.634621 9.161962 9.515437 9.563833 10.234727 9.405650 10.267062 9.508817 10.589609 10.680667 10.743431 11.285845 6.639011 6.997166 5.957691 5.606484 5.900209 4.342629 4.354411 6.474990 3.235058 2.017647 3.693067 1.096275 1.798659 1.800041 0.000000 C19H20BN2O2(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 0 299.0264999999999 AuxInfo=1/0/N:15,26,11,13,22,24,9,10,20,21,1,2,8,19,7,30,5,6;33,41,35,38,40,39/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3;1.3,3.3,4.3,5.1/rA:44nC3C3HHNNC3C3C3C3C3HC3HC3HHHC3C3C3C3HC3HC3HHHBHHC3HC3HHC3OO1CHHH/rB:s1;s1;s2;s1;s2;s5s6;s5;s8;s8;s9;s9;s10;s10;s11s13;s11;s13;s15;s6;s19;s19;s20;s20;s21;s21;s22s24;s22;s24;s26;s7;s30;s30;;s33;s33;s35;s33;s35;s38;s38;s39;s41;s41;s41;/rC:-.6025,2.5024,1.2829;-1.8682,2.0272,1.2784;-.1372,3.2803,1.8805;-2.7393,2.3175,1.8575;.1106,1.793,.3335;-1.9296,1.0329,.3148;-.6965,.862,-.2862;1.4824,2.0509,.0347;1.8382,3.3023,-.4705;2.4481,1.0751,.272;3.1774,3.5813,-.7356;1.0634,4.0478,-.6624;3.7821,1.3595,-.0091;2.1772,.0931,.6649;4.1505,2.6085,-.5086;3.4585,4.5595,-1.1311;4.5328,.5883,.1736;5.1991,2.8254,-.7233;-3.1095,.295,.0267;-3.7671,-.371,1.063;-3.6189,.2555,-1.2722;-4.9401,-1.0747,.7981;-3.347,-.3473,2.0708;-4.7839,-.4606,-1.5306;-3.0939,.7813,-2.07;-5.4481,-1.1245,-.4988;-5.4515,-1.5967,1.6093;-5.1791,-.4952,-2.5478;-6.3628,-1.6831,-.7072;-.2818,-.2062,-1.2982;-1.1362,-.8082,-1.9001;.8512,-.1789,-1.7092;-.18,-1.8787,.4518;.1849,-1.2128,1.2376;.6579,-2.8214,-.0642;.3067,-3.5758,-.7703;-1.2607,-1.9705,.3339;2.0854,-2.8073,.2433;2.7386,-3.8232,-.349;2.6581,-1.9977,.947;4.1301,-3.8909,-.1164;4.6388,-2.9905,-.4932;4.3501,-3.9853,.9575;4.4908,-4.7759,-.6535; 0.2914706 0.1647185 0.1150618 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 457 457 457 457 457 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. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 456 455 455 456 456 MxSgAt= 44 MxSgA2= 44. 1 0.8074 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. 13393 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. There are 135 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 129 vectors produced by pass 0 Test12= 5.94D-14 1.00D-09 XBig12= 2.28D-01 6.31D-02. AX will form 129 AO Fock derivatives at one time. 129 vectors produced by pass 1 Test12= 5.94D-14 1.00D-09 XBig12= 2.50D-02 3.56D-02. 129 vectors produced by pass 2 Test12= 5.94D-14 1.00D-09 XBig12= 6.88D-04 7.09D-03. 129 vectors produced by pass 3 Test12= 5.94D-14 1.00D-09 XBig12= 1.31D-05 7.64D-04. 129 vectors produced by pass 4 Test12= 5.94D-14 1.00D-09 XBig12= 1.65D-07 4.52D-05. 129 vectors produced by pass 5 Test12= 5.94D-14 1.00D-09 XBig12= 1.81D-09 4.80D-06. 129 vectors produced by pass 6 Test12= 5.94D-14 1.00D-09 XBig12= 1.73D-11 3.07D-07. 83 vectors produced by pass 7 Test12= 5.94D-14 1.00D-09 XBig12= 1.54D-13 2.47D-08. 11 vectors produced by pass 8 Test12= 5.94D-14 1.00D-09 XBig12= 1.59D-15 2.55D-09. 3 vectors produced by pass 9 Test12= 5.94D-14 1.00D-09 XBig12= 1.58D-15 3.48D-09. InvSVY: IOpt=1 It= 1 EMax= 5.00D-16 Solved reduced A of dimension 1000 with 135 vectors. End of Minotr F.D. properties file 721 does not exist. 0.000 0.000 0.000 0.000 0.000 0.000 321.708 9.314 271.952 -17.334 28.792 225.408 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 C H H N N C C C C C H C H C H H H C C C C H C H C H H H B H H C H C H H C O O C H H H 13 13 1 1 14 14 13 13 13 13 13 1 13 1 13 1 1 1 13 13 13 13 1 13 1 13 1 1 1 11 1 1 13 1 13 1 1 13 17 17 13 1 1 1 -0.00067 0.00027 -0.00009 0.00013 0.01306 0.02698 -0.00449 -0.00034 0.00364 -0.00028 0.00053 0.00021 0.00042 0.00000 -0.00031 -0.00002 -0.00004 0.00001 -0.00075 0.00154 0.00119 0.00001 -0.00005 -0.00002 0.00013 0.00030 0.00000 0.00001 -0.00002 0.15519 -0.00155 -0.00580 -0.15249 0.00722 0.10005 -0.00779 0.00748 -0.03089 0.00557 0.03943 -0.00185 0.00092 0.00095 0.00001 -0.74784 0.30578 -0.40513 0.58282 4.21846 8.71649 -5.04844 -0.37929 4.08678 -0.31592 0.59854 0.92881 0.46949 0.02167 -0.35123 -0.07460 -0.16517 0.06645 -0.84177 1.73580 1.33887 0.00936 -0.21490 -0.02331 0.59520 0.34112 0.00436 0.05701 -0.09348 222.59692 -6.94965 -25.93467 -171.42362 32.25508 112.47128 -34.81428 33.42993 -34.72241 -3.37612 -23.90385 -2.07724 4.12263 4.25236 0.02332 -0.26685 0.10911 -0.14456 0.20797 1.50525 3.11026 -1.80141 -0.13534 1.45826 -0.11273 0.21357 0.33142 0.16753 0.00773 -0.12533 -0.02662 -0.05894 0.02371 -0.30036 0.61938 0.47774 0.00334 -0.07668 -0.00832 0.21238 0.12172 0.00156 0.02034 -0.03336 79.42812 -2.47981 -9.25414 -61.16821 11.50942 40.13255 -12.42260 11.92863 -12.38982 -1.20469 -8.52949 -0.74121 1.47106 1.51735 0.00832 -0.24945 0.10200 -0.13514 0.19441 1.40713 2.90751 -1.68398 -0.12652 1.36320 -0.10538 0.19965 0.30982 0.15660 0.00723 -0.11716 -0.02488 -0.05510 0.02217 -0.28078 0.57900 0.44660 0.00312 -0.07168 -0.00778 0.19854 0.11379 0.00145 0.01902 -0.03118 74.25034 -2.31815 -8.65088 -57.18077 10.75914 37.51638 -11.61279 11.15102 -11.58215 -1.12615 -7.97346 -0.69289 1.37516 1.41844 0.00778 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 -0.003471 -0.002359 -0.000857 0.001217 -0.033102 -0.019806 -0.006674 -0.001680 0.001572 -0.000147 -0.000703 -0.001172 -0.001554 -0.000726 0.000140 -0.000416 -0.000415 -0.000163 0.004396 0.004249 0.004417 0.001561 0.001123 0.000811 0.002131 0.000504 0.000677 0.000578 0.000591 0.089260 0.006446 -0.002693 -0.066356 -0.004404 0.083482 -0.016570 0.002691 0.014342 0.027115 0.096833 0.001274 -0.000336 0.002505 0.000506 -0.001259 0.001774 0.001904 -0.000077 -0.024826 -0.036338 0.019447 0.005170 0.001030 0.001949 0.001569 0.000091 0.001681 0.001532 0.000910 0.000790 0.000913 0.000814 -0.001745 -0.001703 -0.001532 -0.000881 -0.000711 -0.000368 -0.002200 -0.000458 -0.000435 -0.000149 -0.000155 -0.096926 0.001597 -0.016412 0.088365 0.001916 -0.278543 0.018355 0.008232 -0.012310 -0.056810 -0.192993 -0.000698 -0.000700 -0.001041 0.000251 0.004730 0.000585 -0.001048 -0.001139 0.057928 0.056144 -0.012773 -0.003490 -0.002602 -0.001802 -0.000866 0.001081 -0.000127 -0.000806 -0.001050 -0.000374 -0.000498 -0.000651 -0.002652 -0.002545 -0.002885 -0.000680 -0.000413 -0.000443 0.000069 -0.000046 -0.000242 -0.000429 -0.000435 0.007667 -0.008042 0.019105 -0.022008 0.002488 0.195061 -0.001785 -0.010923 -0.002032 0.029695 0.096160 -0.000577 0.001036 -0.001464 -0.000757 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 -0.001134 -0.002498 -0.000403 -0.001304 -0.003472 -0.009679 -0.005724 -0.001282 0.001203 0.001015 -0.000226 0.000844 -0.000133 0.000232 0.000969 0.000606 0.000427 0.000657 0.000407 -0.001977 -0.001218 -0.000202 -0.000526 0.000244 0.001108 -0.000266 0.000085 0.000566 0.000434 0.014888 0.014719 -0.002506 0.007686 -0.011303 0.116096 0.024419 -0.003301 0.009070 0.016419 0.084794 -0.001967 -0.001346 -0.001376 -0.001851 0.002171 -0.000993 0.000193 0.000389 0.003974 -0.038109 -0.010851 0.001103 -0.001381 0.000069 0.000533 -0.002120 0.000889 0.000222 -0.000321 -0.000743 0.000222 -0.000077 -0.001078 -0.000097 -0.000270 0.000375 -0.000934 0.001113 0.002744 0.000914 -0.000321 0.000583 0.000109 0.137901 0.002858 0.002097 -0.126955 -0.001952 0.441131 0.007617 0.000973 -0.001570 0.082655 0.312615 -0.001577 -0.002200 -0.001694 -0.001186 0.000166 0.005856 -0.000087 0.000165 -0.013552 0.017962 0.029575 -0.003287 -0.000966 0.001373 -0.002726 -0.003961 -0.001815 0.000792 0.000428 -0.001575 0.000297 -0.000173 0.000575 -0.000230 0.001539 -0.000229 0.000273 -0.000682 0.000757 -0.001117 -0.000039 0.000368 -0.000006 0.011876 -0.007474 0.006439 0.015899 0.003957 0.121897 -0.027354 0.003616 -0.003698 0.025641 0.083324 0.001400 0.001439 0.000393 0.001100 0.9138 0.3395 -0.2229 -0.3253 0.9404 0.0986 0.2431 -0.0176 0.9698 -0.0044 -8.0E-4 0.0053 -0.593 -0.114 0.707 -0.212 -0.041 0.252 -0.198 -0.038 0.236 1 C 13 0.3877 0.6752 -0.6275 0.8888 -0.0933 0.4488 -0.2444 0.7317 0.6363 -0.0051 -0.0026 0.0077 -0.685 -0.349 1.033 -0.244 -0.124 0.369 -0.228 -0.116 0.345 2 C 13 -0.564 -0.0506 0.8242 0.8132 0.1396 0.565 -0.1437 0.9889 -0.0376 -0.0012 -8.0E-4 0.002 -0.627 -0.423 1.049 -0.224 -0.151 0.374 -0.209 -0.141 0.35 3 H 1 -0.3463 -0.4469 0.8248 0.3925 0.7296 0.5601 0.8521 -0.5177 0.0772 -0.0014 -7.0E-4 0.002 -0.743 -0.348 1.091 -0.265 -0.124 0.389 -0.248 -0.116 0.364 4 H 1 0.9341 0.3568 0.0122 -0.3538 0.9206 0.1655 0.0479 -0.1589 0.9861 -0.0344 -0.0259 0.0603 -1.326 -1.0 2.326 -0.473 -0.357 0.83 -0.442 -0.334 0.776 5 N 14 0.3989 0.9169 -0.0131 0.8344 -0.357 0.4199 -0.3804 0.1784 0.9075 -0.0408 -0.0348 0.0757 -1.574 -1.344 2.918 -0.562 -0.48 1.041 -0.525 -0.448 0.973 6 N 14 0.2596 -0.459 0.8497 0.9394 0.3241 -0.112 -0.224 0.8272 0.5153 -0.0321 -0.0074 0.0394 -4.303 -0.987 5.29 -1.535 -0.352 1.888 -1.435 -0.329 1.764 7 C 13 -0.219 0.2816 0.9342 0.9576 0.2458 0.1504 -0.1873 0.9275 -0.3235 -0.0047 -0.0018 0.0066 -0.636 -0.246 0.882 -0.227 -0.088 0.315 -0.212 -0.082 0.294 8 C 13 0.2434 0.1529 0.9578 -0.6092 0.7925 0.0283 0.7548 0.5903 -0.2861 -0.0031 1.0E-4 0.003 -0.417 0.01 0.407 -0.149 0.003 0.145 -0.139 0.003 0.136 9 C 13 0.1284 -0.3337 0.9339 0.937 -0.2676 -0.2245 0.3248 0.9039 0.2783 -0.0023 -5.0E-4 0.0027 -0.306 -0.061 0.367 -0.109 -0.022 0.131 -0.102 -0.02 0.123 10 C 13 -0.1642 0.5258 0.8346 0.9795 0.1871 0.0748 -0.1169 0.8298 -0.5457 -0.0027 -7.0E-4 0.0034 -0.361 -0.095 0.455 -0.129 -0.034 0.163 -0.12 -0.032 0.152 11 C 13 0.3614 0.6334 0.6842 0.8765 -0.481 -0.0177 -0.3179 -0.6061 0.7291 -0.0037 -0.0016 0.0053 -1.977 -0.85 2.827 -0.706 -0.303 1.009 -0.66 -0.284 0.943 12 H 1 0.7909 -0.2394 -0.5632 0.5973 0.5024 0.6252 -0.1332 0.8309 -0.5403 -0.0021 -7.0E-4 0.0029 -0.288 -0.099 0.387 -0.103 -0.035 0.138 -0.096 -0.033 0.129 13 C 13 -0.378 -0.2355 0.8953 0.9189 -0.2134 0.3319 0.1129 0.9482 0.297 -0.0011 -7.0E-4 0.0018 -0.591 -0.373 0.964 -0.211 -0.133 0.344 -0.197 -0.125 0.322 14 H 1 0.3961 -0.3301 0.8568 0.738 -0.4408 -0.511 0.5463 0.8347 0.069 -0.0014 -2.0E-4 0.0016 -0.183 -0.029 0.212 -0.065 -0.01 0.076 -0.061 -0.01 0.071 15 C 13 0.2836 0.4839 0.8279 0.8992 -0.4341 -0.0544 0.3331 0.7599 -0.5582 -0.0015 -7.0E-4 0.0022 -0.826 -0.354 1.181 -0.295 -0.126 0.421 -0.276 -0.118 0.394 16 H 1 -0.6764 0.0445 0.7352 0.6764 -0.3576 0.6439 0.2915 0.9328 0.2118 -7.0E-4 -4.0E-4 0.0011 -0.365 -0.229 0.594 -0.13 -0.082 0.212 -0.122 -0.076 0.198 17 H 1 0.0026 0.1145 0.9934 0.895 -0.4433 0.0488 0.446 0.889 -0.1037 -7.0E-4 -5.0E-4 0.0012 -0.358 -0.263 0.621 -0.128 -0.094 0.222 -0.119 -0.088 0.207 18 H 1 0.1514 -0.4227 0.8935 0.0154 0.9048 0.4255 0.9884 0.0507 -0.1435 -0.0031 -0.0015 0.0046 -0.417 -0.197 0.614 -0.149 -0.07 0.219 -0.139 -0.066 0.205 19 C 13 0.1554 0.5045 0.8493 0.2435 0.8137 -0.5279 0.9574 -0.2889 -0.0036 -0.0027 -0.0021 0.0048 -0.362 -0.288 0.65 -0.129 -0.103 0.232 -0.121 -0.096 0.217 20 C 13 -0.0554 -0.5617 0.8255 0.2163 0.8004 0.5591 0.9748 -0.2095 -0.0772 -0.0039 -8.0E-4 0.0047 -0.525 -0.106 0.631 -0.187 -0.038 0.225 -0.175 -0.035 0.21 21 C 13 -0.0161 0.8292 0.5588 -0.1912 -0.5511 0.8123 0.9814 -0.0937 0.1674 -0.001 -6.0E-4 0.0016 -0.138 -0.082 0.221 -0.049 -0.029 0.079 -0.046 -0.027 0.074 22 C 13 -0.1408 0.7026 -0.6975 0.4586 0.6707 0.583 0.8774 -0.2378 -0.4166 -9.0E-4 -8.0E-4 0.0017 -0.468 -0.444 0.912 -0.167 -0.159 0.325 -0.156 -0.148 0.304 23 H 1 -0.4094 0.5237 0.747 0.3342 0.848 -0.4114 0.8489 -0.0812 0.5222 -0.0015 1.0E-4 0.0015 -0.205 0.008 0.197 -0.073 0.003 0.07 -0.069 0.003 0.066 24 C 13 -0.1736 0.9793 -0.1039 -0.5668 -0.0131 0.8237 0.8053 0.2019 0.5574 -0.0025 -0.0018 0.0043 -1.321 -0.977 2.298 -0.471 -0.349 0.82 -0.441 -0.326 0.767 25 H 1 -0.2232 0.6936 0.6849 0.739 0.5786 -0.3451 0.6356 -0.4291 0.6417 -0.0015 -1.0E-4 0.0016 -0.198 -0.018 0.216 -0.071 -0.006 0.077 -0.066 -0.006 0.072 26 C 13 -0.0384 0.9909 0.1287 0.3072 -0.1109 0.9452 0.9509 0.0758 -0.3002 -4.0E-4 -3.0E-4 8.0E-4 -0.237 -0.183 0.419 -0.084 -0.065 0.15 -0.079 -0.061 0.14 27 H 1 -0.27 -0.3139 0.9103 -0.5332 0.8359 0.1301 0.8018 0.4502 0.3931 -7.0E-4 -5.0E-4 0.0012 -0.389 -0.242 0.63 -0.139 -0.086 0.225 -0.13 -0.081 0.21 28 H 1 -0.2366 0.3486 0.9069 -0.3473 0.8414 -0.4141 0.9074 0.4129 0.078 -5.0E-4 -3.0E-4 8.0E-4 -0.249 -0.177 0.426 -0.089 -0.063 0.152 -0.083 -0.059 0.142 29 H 1 0.0685 0.9777 -0.1987 -0.5969 0.1998 0.777 0.7994 0.0654 0.5973 -0.0983 -0.0952 0.1935 -16.83 -16.304 33.133 -6.005 -5.817 11.823 -5.614 -5.438 11.052 30 B 11 -0.4591 0.6139 0.6421 0.4898 -0.4281 0.7595 0.7411 0.6633 -0.1041 -0.0172 -0.002 0.0192 -9.194 -1.06 10.253 -3.281 -0.378 3.659 -3.067 -0.353 3.42 31 H 1 0.1819 0.9671 -0.1778 0.9807 -0.1915 -0.0385 0.0713 0.1674 0.9833 -0.0181 -0.0023 0.0204 -9.64 -1.22 10.859 -3.44 -0.435 3.875 -3.215 -0.407 3.622 32 H 1 0.763 -0.0613 0.6435 -0.5489 -0.5873 0.5948 -0.3415 0.807 0.4818 -0.174 0.0794 0.0946 -23.356 10.661 12.695 -8.334 3.804 4.53 -7.791 3.556 4.235 33 C 13 0.789 0.6118 -0.0568 0.2876 -0.2861 0.914 -0.5429 0.7375 0.4016 -0.013 6.0E-4 0.0124 -6.951 0.339 6.612 -2.48 0.121 2.359 -2.319 0.113 2.205 34 H 1 -0.5266 0.8086 0.2624 -0.5469 -0.5586 0.6236 0.6508 0.1849 0.7364 -0.3146 -0.301 0.6156 -42.216 -40.387 82.603 -15.064 -14.411 29.475 -14.082 -13.472 27.553 35 C 13 0.6903 -0.5201 -0.503 0.6645 0.1806 0.7251 0.2862 0.8348 -0.4703 -0.0405 -0.0016 0.0421 -21.618 -0.864 22.482 -7.714 -0.308 8.022 -7.211 -0.288 7.499 36 H 1 -0.1101 -0.1945 0.9747 0.9165 0.3596 0.1753 -0.3846 0.9126 0.1387 -0.0118 0.0016 0.0102 -6.272 0.844 5.427 -2.238 0.301 1.937 -2.092 0.282 1.81 37 H 1 -0.2705 0.9371 0.2208 0.1921 -0.1722 0.9661 0.9434 0.3037 -0.1335 -0.0158 -0.0017 0.0175 -2.12 -0.226 2.346 -0.757 -0.081 0.837 -0.707 -0.075 0.783 38 C 13 0.2447 0.8614 -0.445 0.6843 -0.4786 -0.5501 0.6869 0.1699 0.7066 -0.0654 -0.0508 0.1162 4.732 3.677 -8.409 1.688 1.312 -3.0 1.578 1.226 -2.805 39 O 17 0.6404 -0.5996 -0.4799 0.3265 0.7781 -0.5366 0.6952 0.1869 0.6941 -0.2169 -0.2149 0.4317 15.692 15.548 -31.24 5.599 5.548 -11.147 5.234 5.186 -10.421 40 O 17 0.251 0.8314 -0.4958 0.6208 0.2548 0.7414 0.7427 -0.4939 -0.4522 -0.0021 -0.0014 0.0035 -0.285 -0.19 0.475 -0.102 -0.068 0.17 -0.095 -0.063 0.159 41 C 13 0.8264 0.3884 0.4076 -0.1095 0.821 -0.5603 -0.5523 0.4184 0.7211 -0.0021 -0.0015 0.0036 -1.095 -0.802 1.897 -0.391 -0.286 0.677 -0.365 -0.267 0.633 42 H 1 0.3814 0.1565 0.9111 0.2185 0.9424 -0.2533 0.8982 -0.2956 -0.3252 -0.0021 -0.0015 0.0036 -1.123 -0.782 1.905 -0.401 -0.279 0.68 -0.375 -0.261 0.636 43 H 1 -2.41395110e+00 1.81042648e+00 -2.77720071e-01 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 6 1 1 7 7 6 6 6 6 6 1 6 1 6 1 1 1 6 6 6 6 1 6 1 6 1 1 1 5 1 1 6 1 6 1 1 6 8 8 6 1 1 1 0.000795323 0.000999931 -0.000062015 0.000284028 0.000566722 -0.000518007 0.000035849 0.000043261 -0.000006288 -0.000050064 0.000145025 0.000056230 0.002157748 -0.003028723 0.002150244 -0.003849633 0.000701905 -0.001859146 0.010831830 0.004402638 -0.007005124 -0.000968994 0.001427541 -0.001823398 0.000572097 0.002400660 -0.002499437 -0.000147653 0.000065481 0.000158630 0.000113269 0.001035972 -0.000189045 -0.000333776 -0.000755240 0.000524170 0.000046676 0.000230403 0.000355112 0.000007579 0.000054707 0.000007031 0.000155469 -0.000091723 -0.000080770 0.000600687 -0.000317030 -0.000211650 0.000017659 0.000055153 0.000016230 -0.000105518 0.000200863 -0.000027430 0.000329700 -0.000212350 -0.000197512 -0.000281615 -0.000079599 -0.000268896 0.000036144 0.000170939 -0.000292826 0.000062508 -0.000066487 0.000096933 0.000027652 0.000053560 0.000021757 0.000030747 0.000334082 0.000061540 -0.000118169 -0.000040118 0.000464225 0.000019651 -0.000002408 0.000079630 0.000044131 0.000006795 0.000012655 -0.000032221 -0.000025389 0.000009475 0.000056666 -0.000014158 0.000018936 -0.007557831 -0.005736311 0.006539051 0.009800533 -0.000255970 -0.009638520 0.011331554 0.000853655 -0.010551439 0.028125338 0.040855471 -0.006054624 -0.009219475 -0.005690082 0.015084607 -0.031192127 -0.035580543 0.001544500 -0.000694491 -0.000283630 -0.000083311 -0.014228672 0.000203950 0.009273890 0.004064302 -0.004966229 0.006779868 -0.000127159 -0.000294557 -0.000372164 -0.000730053 0.002794245 -0.001273465 0.000077500 -0.000200769 -0.000296470 0.000010784 -0.000040419 -0.000021298 -0.000003893 -0.000004211 0.000087565 0.000005921 0.000082987 -0.000009444 0.040855471 0.006897344 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) 0.7946 0.7869 0.7761 0.7743 0.7740 0.7777 0.7796 0.7804 0.7795 0.7770 0.7731 0.7793 0.7774 0.7764 0.7783 0.7774 0.7782 0.7709 0.7789 0.7799 0.7797 0.7787 0.7799 0.7795 0.7790 0.7782 0.7800 0.7801 0.7797 0.7741 0.7777 0.7776 0.7771 0.7756 0.7770 0.7764 0.7781 0.7774 0.7762 0.7780 0.7771 0.7768 0.7770 0.7771 0.7770 0.7770 0.7770 0.7771 0.7770 0.7800 0.7743 0.7768 0.7756 0.7765 0.7770 0.7770 0.7770 open 1 1 1 -1019.74321910986 -1019.74322256805 -0.000003458189 -1019.74322281419 -0.000000246135 -1019.74322282397 -0.000000009778 -1019.74322283090 -0.000000006934 -1019.74322283124 -0.000000000344 -1019.74322283136 -0.000000000118 -1019.74322283138 -0.000000000022 -1019.74322283138 0.000000000005 -1019.74322283141 -0.000000000030 -1019.74322283 10 0.7770 1.008904889092e+03 -6.200632706933e+03 2.254802150155e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572429338 LenY= 1572217278 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. 0.7770 (Enter /usr/local/CompChem/Gaussian/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 C H H N N C C C C C H C H C H H H C C C C H C H C H H H B H H C H C H H C O O C H H H 13 13 1 1 14 14 13 13 13 13 13 1 13 1 13 1 1 1 13 13 13 13 1 13 1 13 1 1 1 11 1 1 13 1 13 1 1 13 17 17 13 1 1 1 -0.00463 -0.00141 -0.00027 -0.00052 0.04585 0.04231 -0.01486 -0.00731 0.00596 0.00312 -0.00034 -0.00016 -0.00076 -0.00011 0.00103 0.00011 0.00013 -0.00008 -0.00842 0.00742 0.00382 -0.00157 -0.00022 -0.00194 -0.00023 0.00235 0.00014 0.00020 -0.00017 0.05321 -0.00621 -0.00534 -0.03716 0.00393 0.05286 -0.00442 0.00454 -0.01589 0.00458 0.02100 -0.00116 0.00059 0.00057 -0.00000 -5.20524 -1.58185 -1.22805 -2.30936 14.81324 13.67119 -16.70181 -8.21795 6.69900 3.50819 -0.37693 -0.73597 -0.85736 -0.47496 1.15288 0.47485 0.57078 -0.36419 -9.46840 8.34701 4.29497 -1.76536 -1.00155 -2.17597 -1.03940 2.64123 0.63549 0.90122 -0.78078 76.32255 -27.75849 -23.85381 -41.77797 17.54629 59.42883 -19.75386 20.27958 -17.85950 -2.77841 -12.73092 -1.30870 2.64657 2.55392 -0.00019 -1.85736 -0.56444 -0.43820 -0.82404 5.28573 4.87822 -5.95962 -2.93237 2.39037 1.25181 -0.13450 -0.26261 -0.30593 -0.16948 0.41138 0.16944 0.20367 -0.12995 -3.37856 2.97842 1.53255 -0.62992 -0.35738 -0.77644 -0.37088 0.94246 0.22676 0.32158 -0.27860 27.23378 -9.90492 -8.51163 -14.90742 6.26095 21.20568 -7.04867 7.23626 -6.37271 -0.99140 -4.54271 -0.46698 0.94436 0.91130 -0.00007 -1.73628 -0.52765 -0.40963 -0.77032 4.94117 4.56022 -5.57112 -2.74121 2.23455 1.17021 -0.12573 -0.24549 -0.28599 -0.15843 0.38456 0.15839 0.19039 -0.12148 -3.15832 2.78426 1.43265 -0.58886 -0.33408 -0.72582 -0.34671 0.88102 0.21198 0.30061 -0.26044 25.45846 -9.25924 -7.95677 -13.93563 5.85281 19.82332 -6.58918 6.76454 -5.95729 -0.92678 -4.24658 -0.43654 0.88280 0.85190 -0.00006 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 -0.007704 -0.013870 -0.001697 0.001605 -0.135559 -0.132563 -0.056319 0.006955 -0.003036 -0.000820 0.002542 -0.000979 0.002958 0.001903 -0.001651 0.000364 0.001496 0.001015 0.005537 0.005887 -0.000706 0.001813 0.000224 0.002432 0.003464 0.000016 0.000856 0.001240 0.001390 -0.092536 -0.003569 0.010607 0.062090 0.000954 -0.158702 -0.015201 -0.008278 -0.004605 -0.032480 -0.110502 0.001722 0.002106 0.001352 0.001026 0.001693 0.002782 0.001427 -0.001745 0.053017 0.063635 -0.018746 0.002175 0.005296 0.005672 0.001001 0.002947 0.000340 0.001095 -0.002739 0.000301 -0.000319 -0.000457 -0.007684 -0.001106 -0.002126 -0.003687 -0.001512 -0.003960 -0.002719 0.007121 -0.000464 -0.000625 -0.000129 0.047746 0.001886 -0.008162 -0.026226 0.002149 0.032365 0.008723 0.006333 -0.002534 0.000007 0.004353 -0.000484 -0.000844 -0.000361 -0.000056 0.006011 0.011088 0.000270 0.000140 0.082542 0.068927 0.075065 -0.009130 -0.002260 -0.004852 -0.003542 -0.001969 -0.003298 -0.002997 0.004389 -0.000665 -0.001177 -0.000558 0.002147 -0.004782 0.002832 0.001874 0.001288 0.001528 -0.000745 -0.007137 -0.000392 -0.000615 -0.001261 0.044790 0.001683 -0.002444 -0.035864 -0.003103 0.126338 0.006478 0.001945 0.007139 0.032473 0.106148 -0.001238 -0.001261 -0.000991 -0.000970 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 -0.002948 -0.008248 0.001457 -0.002440 -0.086550 -0.078474 -0.010979 0.002776 0.006369 -0.003040 0.001428 0.001584 0.001056 -0.000413 0.001193 0.000776 0.000808 0.000714 0.009343 -0.007029 -0.005571 0.005177 0.000781 0.004726 -0.000130 -0.007466 0.000566 0.000541 0.000711 -0.040764 0.009098 -0.003153 -0.016709 -0.005267 0.054888 0.014213 -0.002404 0.002986 0.009287 0.023071 -0.001462 -0.000684 -0.001445 -0.001381 0.001891 0.006007 0.001022 -0.003473 0.094888 0.074651 0.021043 -0.000879 0.001473 0.000586 -0.000249 -0.000271 0.000148 0.002938 0.000975 -0.000142 0.000160 -0.000154 -0.000183 -0.008765 -0.004467 0.000661 -0.002045 0.001576 0.002298 -0.000818 -0.000262 0.000615 0.000283 0.037648 0.016186 -0.013655 0.002970 -0.002532 -0.059695 0.009180 -0.001518 0.004004 -0.017462 -0.031163 -0.000206 -0.000578 0.000862 -0.000367 -0.005975 -0.018453 0.003133 0.001312 -0.232741 -0.225787 -0.075210 -0.000570 0.004629 0.005401 -0.001255 -0.000666 -0.001279 0.000042 0.001735 -0.000205 -0.000040 0.000032 0.000442 0.004042 0.008903 -0.001423 -0.000714 -0.001531 -0.000795 0.001594 -0.000056 0.000114 0.000300 -0.143764 0.002758 -0.008837 0.095336 -0.006494 -0.248085 0.008441 -0.002029 -0.013189 -0.056877 -0.162032 -0.000073 0.000172 -0.000254 0.000222 0.9632 0.2683 -0.015 -0.2049 0.7692 0.6052 0.1739 -0.5799 0.7959 -0.0086 -0.0022 0.0108 -1.148 -0.298 1.446 -0.41 -0.106 0.516 -0.383 -0.1 0.482 1 C 13 0.8789 0.4631 0.1145 -0.4185 0.6334 0.6509 0.2289 -0.62 0.7505 -0.0174 -0.0107 0.0282 -2.339 -1.44 3.779 -0.835 -0.514 1.349 -0.78 -0.48 1.261 2 C 13 -0.5131 0.6499 -0.5607 0.8135 0.16 -0.5591 0.2737 0.743 0.6108 -0.0024 -0.0021 0.0045 -1.294 -1.127 2.422 -0.462 -0.402 0.864 -0.432 -0.376 0.808 3 H 1 0.6165 0.6974 0.3655 0.2686 -0.6227 0.735 0.7402 -0.3549 -0.5711 -0.0032 -0.0022 0.0055 -1.715 -1.196 2.91 -0.612 -0.427 1.039 -0.572 -0.399 0.971 4 H 1 0.9211 -0.0458 -0.3867 0.2873 0.7502 0.5955 0.2628 -0.6596 0.7042 -0.1711 -0.1649 0.336 -6.598 -6.359 12.957 -2.354 -2.269 4.624 -2.201 -2.121 4.322 5 N 14 0.6359 0.6447 0.4242 0.7356 -0.3399 -0.586 0.2336 -0.6847 0.6904 -0.1623 -0.1558 0.3181 -6.261 -6.008 12.268 -2.234 -2.144 4.378 -2.088 -2.004 4.092 6 N 14 -0.4293 0.7603 0.4875 0.8932 0.4372 0.1049 0.1334 -0.4805 0.8668 -0.0608 -0.0592 0.12 -8.155 -7.947 16.101 -2.91 -2.836 5.745 -2.72 -2.651 5.371 7 C 13 0.0478 0.0384 0.9981 -0.4188 0.908 -0.0149 0.9068 0.4173 -0.0594 -0.0092 9.0E-4 0.0083 -1.234 0.121 1.112 -0.44 0.043 0.397 -0.412 0.04 0.371 8 C 13 0.7973 -0.5314 0.2861 -0.4245 -0.157 0.8917 0.429 0.8324 0.3508 -0.0068 -0.0038 0.0105 -0.906 -0.507 1.413 -0.323 -0.181 0.504 -0.302 -0.169 0.471 9 C 13 -0.2614 -0.4147 0.8716 0.9276 0.1416 0.3456 -0.2667 0.8989 0.3476 -0.0076 -0.0011 0.0087 -1.019 -0.143 1.162 -0.364 -0.051 0.415 -0.34 -0.048 0.388 10 C 13 -0.0191 0.2548 0.9668 -0.5526 0.8032 -0.2226 0.8332 0.5385 -0.1254 -0.0039 4.0E-4 0.0035 -0.519 0.049 0.47 -0.185 0.018 0.168 -0.173 0.016 0.157 11 C 13 0.1022 0.0993 0.9898 0.9381 -0.3407 -0.0627 0.331 0.9349 -0.1279 -0.0021 -0.0015 0.0036 -1.101 -0.819 1.92 -0.393 -0.292 0.685 -0.367 -0.273 0.641 12 H 1 -0.0707 0.3153 0.9464 -0.3446 0.8826 -0.3198 0.9361 0.3487 -0.0463 -0.0037 4.0E-4 0.0033 -0.501 0.053 0.449 -0.179 0.019 0.16 -0.167 0.018 0.15 13 C 13 -0.4253 -0.0391 0.9042 0.1261 0.9868 0.102 0.8962 -0.1574 0.4148 -0.0044 0.001 0.0033 -2.338 0.558 1.779 -0.834 0.199 0.635 -0.78 0.186 0.594 14 H 1 -0.4623 0.8766 -0.1334 0.8677 0.4163 -0.2716 0.1826 0.2413 0.9531 -0.0036 -0.0014 0.005 -0.487 -0.186 0.673 -0.174 -0.066 0.24 -0.163 -0.062 0.224 15 C 13 -0.0325 0.2234 0.9742 0.7017 -0.689 0.1814 0.7118 0.6894 -0.1344 -7.0E-4 -4.0E-4 0.0011 -0.377 -0.232 0.61 -0.135 -0.083 0.218 -0.126 -0.078 0.203 16 H 1 -0.0992 0.1358 0.9858 -0.3425 0.9255 -0.162 0.9343 0.3537 0.0453 -0.0012 -6.0E-4 0.0018 -0.639 -0.326 0.965 -0.228 -0.116 0.344 -0.213 -0.109 0.322 17 H 1 -0.3699 0.8495 -0.3762 -0.0804 0.3741 0.9239 0.9256 0.372 -0.0701 -8.0E-4 -5.0E-4 0.0013 -0.417 -0.283 0.701 -0.149 -0.101 0.25 -0.139 -0.095 0.234 18 H 1 -0.4593 0.8877 -0.0325 -0.0194 0.0265 0.9995 0.8881 0.4597 0.005 -0.0125 0.0022 0.0104 -1.682 0.29 1.392 -0.6 0.104 0.497 -0.561 0.097 0.464 19 C 13 0.4848 -0.0148 0.8745 0.4013 0.8921 -0.2074 0.7771 -0.4515 -0.4384 -0.0097 -0.0052 0.0149 -1.303 -0.699 2.002 -0.465 -0.249 0.714 -0.435 -0.233 0.668 20 C 13 0.2703 0.8223 -0.5007 0.8503 0.0401 0.5248 -0.4516 0.5676 0.6884 -0.0094 -0.0037 0.0131 -1.258 -0.5 1.758 -0.449 -0.178 0.627 -0.42 -0.167 0.587 21 C 13 -0.5055 0.8455 0.1719 0.1388 -0.117 0.9834 0.8516 0.5209 -0.0582 -0.0071 0.0021 0.0049 -0.949 0.287 0.662 -0.339 0.102 0.236 -0.317 0.096 0.221 22 C 13 -0.4086 0.9108 -0.0597 0.6846 0.349 0.6399 -0.6036 -0.2206 0.7662 -0.0018 -0.0013 0.0031 -0.969 -0.688 1.656 -0.346 -0.245 0.591 -0.323 -0.229 0.552 23 H 1 -0.4672 0.8511 0.2396 -0.0746 -0.3079 0.9485 0.881 0.4253 0.2074 -0.007 0.0019 0.0051 -0.937 0.255 0.682 -0.334 0.091 0.243 -0.313 0.085 0.228 24 C 13 -0.1347 0.8906 0.4343 -0.3902 -0.4506 0.8029 0.9108 -0.0613 0.4082 -0.0031 -0.0014 0.0045 -1.647 -0.755 2.402 -0.588 -0.269 0.857 -0.549 -0.252 0.801 25 H 1 -0.0018 -0.1107 0.9939 0.8474 0.5275 0.0603 -0.5309 0.8423 0.0928 -0.0073 -0.0047 0.012 -0.981 -0.629 1.611 -0.35 -0.225 0.575 -0.327 -0.21 0.537 26 C 13 -0.3648 0.9184 -0.1531 0.108 0.205 0.9728 0.9248 0.3383 -0.174 -7.0E-4 -4.0E-4 0.0011 -0.362 -0.231 0.593 -0.129 -0.082 0.212 -0.121 -0.077 0.198 27 H 1 -0.3662 0.5415 0.7568 -0.0355 0.8045 -0.5928 0.9299 0.244 0.2754 -8.0E-4 -7.0E-4 0.0016 -0.443 -0.391 0.835 -0.158 -0.14 0.298 -0.148 -0.13 0.278 28 H 1 -0.0448 -0.2156 0.9754 -0.3917 0.902 0.1814 0.919 0.374 0.1249 -0.0013 -4.0E-4 0.0017 -0.715 -0.202 0.917 -0.255 -0.072 0.327 -0.238 -0.067 0.306 29 H 1 0.9389 0.3335 0.0849 -0.2895 0.6324 0.7185 -0.1859 0.6992 -0.6903 -0.1036 -0.0969 0.2005 -17.74 -16.594 34.334 -6.33 -5.921 12.251 -5.917 -5.535 11.453 30 B 11 0.7731 -0.2638 -0.5768 -0.0784 0.8627 -0.4996 0.6294 0.4315 0.6463 -0.0187 -5.0E-4 0.0193 -10.004 -0.287 10.291 -3.57 -0.103 3.672 -3.337 -0.096 3.433 31 H 1 0.3746 0.6515 0.6597 -0.414 0.7542 -0.5097 0.8296 0.0822 -0.5523 -0.0189 -5.0E-4 0.0194 -10.097 -0.245 10.342 -3.603 -0.088 3.69 -3.368 -0.082 3.45 32 H 1 -0.0721 -0.69 0.7202 0.7282 0.457 0.5107 0.6816 -0.5613 -0.4695 -0.1275 0.0537 0.0738 -17.108 7.204 9.904 -6.105 2.571 3.534 -5.707 2.403 3.304 33 C 13 0.4363 0.566 0.6995 0.7696 0.168 -0.616 -0.4662 0.8071 -0.3623 -0.0099 0.0018 0.0081 -5.302 0.977 4.325 -1.892 0.349 1.543 -1.768 0.326 1.443 34 H 1 -0.6366 0.6534 0.4096 0.7547 0.4184 0.5053 -0.1588 -0.6308 0.7595 -0.1766 -0.1682 0.3449 -23.702 -22.576 46.278 -8.458 -8.056 16.513 -7.906 -7.531 15.437 35 C 13 0.9134 -0.3642 -0.182 -0.0785 -0.5961 0.7991 0.3995 0.7155 0.573 -0.0227 -7.0E-4 0.0234 -12.111 -0.385 12.496 -4.321 -0.137 4.459 -4.04 -0.128 4.168 36 H 1 0.9703 0.1746 0.1674 -0.2136 0.2941 0.9316 -0.1135 0.9397 -0.3227 -0.009 0.0017 0.0073 -4.787 0.881 3.906 -1.708 0.314 1.394 -1.597 0.294 1.303 37 H 1 -0.4486 0.7192 0.5305 0.8904 0.411 0.1957 0.0773 -0.5602 0.8248 -0.0141 -0.0023 0.0165 -1.896 -0.315 2.21 -0.676 -0.112 0.789 -0.632 -0.105 0.737 38 C 13 0.3467 0.7132 0.6092 0.9219 -0.3789 -0.0811 -0.173 -0.5897 0.7889 -0.0441 -0.0348 0.0788 3.188 2.515 -5.703 1.138 0.898 -2.035 1.063 0.839 -1.902 39 O 17 0.9244 -0.358 -0.132 0.3643 0.7254 0.5841 -0.1133 -0.588 0.8009 -0.115 -0.1145 0.2295 8.32 8.287 -16.607 2.969 2.957 -5.926 2.775 2.764 -5.54 40 O 17 0.3252 0.5868 0.7415 0.3052 0.6771 -0.6696 0.895 -0.4441 -0.0411 -0.0014 -0.0011 0.0025 -0.186 -0.144 0.33 -0.066 -0.051 0.118 -0.062 -0.048 0.11 41 C 13 0.1341 -0.1467 0.98 0.2344 0.9656 0.1125 0.9629 -0.2146 -0.1639 -0.0014 -0.001 0.0024 -0.729 -0.528 1.257 -0.26 -0.189 0.449 -0.243 -0.176 0.419 42 H 1 -0.4874 -0.5028 0.7139 0.2073 0.7276 0.6539 0.8482 -0.4667 0.2504 -0.0014 -0.001 0.0024 -0.748 -0.534 1.282 -0.267 -0.19 0.457 -0.249 -0.178 0.427 43 H 1 PT99957.200S 2025-07-13T11:50:57.000 -19.28079 -19.21957 -14.51957 -14.51622 -10.40084 -10.36050 -10.36032 -10.35043 -10.34962 -10.34727 -10.33917 -10.32220 -10.31965 -10.31852 -10.31782 -10.31716 -10.31152 -10.30823 -10.30592 -10.30223 -10.29864 -10.29863 -10.28436 -6.80667 -1.18106 -1.14865 -1.08340 -1.04954 -0.96946 -0.94959 -0.88961 -0.86646 -0.86137 -0.85427 -0.84280 -0.83604 -0.80398 -0.76446 -0.73803 -0.71307 -0.70511 -0.69818 -0.68829 -0.68057 -0.65862 -0.62613 -0.62458 -0.59542 -0.58674 -0.57923 -0.57237 -0.56935 -0.56041 -0.55820 -0.55485 -0.54941 -0.54805 -0.53234 -0.52710 -0.52270 -0.52019 -0.51694 -0.50172 -0.48245 -0.47888 -0.47216 -0.46507 -0.45925 -0.44924 -0.44719 -0.44487 -0.43450 -0.42289 -0.42146 -0.40885 -0.38135 -0.37260 -0.36913 -0.34921 -0.34636 -0.34401 -0.33498 -0.33085 -0.32811 -0.19308 0.02828 0.04399 0.04592 0.05670 0.06031 0.08895 0.13296 0.14289 0.14432 0.15335 0.16173 0.16765 0.17714 0.18124 0.18433 0.18964 0.19338 0.19891 0.20788 0.21001 0.21590 0.22186 0.22281 0.22628 0.22809 0.23003 0.23383 0.23807 0.25027 0.26190 0.27591 0.29017 0.30203 0.30692 0.31654 0.32098 0.32852 0.34120 0.35338 0.35691 0.37151 0.37454 0.37943 0.38622 0.38861 0.39843 0.40339 0.40762 0.41292 0.42704 0.43636 0.43771 0.44947 0.45189 0.46313 0.46941 0.47921 0.48488 0.49566 0.50061 0.50619 0.51032 0.51334 0.52689 0.53397 0.53907 0.54458 0.55166 0.55402 0.56335 0.56669 0.56805 0.57062 0.57725 0.57982 0.58362 0.58621 0.59415 0.59929 0.61027 0.61322 0.61917 0.63545 0.63927 0.64485 0.65712 0.66316 0.67312 0.68245 0.68449 0.70682 0.71312 0.71589 0.71612 0.72069 0.72219 0.72800 0.73307 0.73568 0.74025 0.74412 0.74637 0.74873 0.75129 0.75671 0.76118 0.76807 0.77050 0.77817 0.78176 0.78309 0.79046 0.79346 0.80464 0.80626 0.81100 0.81550 0.82031 0.82482 0.83461 0.83875 0.84243 0.84972 0.85392 0.86609 0.87815 0.88170 0.89869 0.90625 0.91139 0.91401 0.91650 0.92276 0.93136 0.94268 0.96591 0.96868 0.98288 0.99938 1.00600 1.01599 1.02174 1.03287 1.05886 1.07735 1.10176 1.11038 1.14435 1.14526 1.15368 1.16308 1.17186 1.18127 1.19870 1.22008 1.22703 1.24551 1.26034 1.26883 1.27794 1.28107 1.29657 1.30170 1.30508 1.31393 1.32383 1.32951 1.33318 1.34412 1.34866 1.35505 1.35998 1.36139 1.36985 1.37481 1.38762 1.38942 1.40012 1.41488 1.42950 1.45151 1.45909 1.48534 1.51169 1.54390 1.55701 1.56538 1.58164 1.59006 1.61086 1.62586 1.66113 1.66921 1.68613 1.69105 1.71035 1.71311 1.72366 1.74060 1.75078 1.75720 1.76359 1.77189 1.78224 1.78576 1.79169 1.80049 1.81492 1.82098 1.82560 1.82883 1.83291 1.83399 1.83979 1.84299 1.84661 1.85519 1.86001 1.86230 1.86716 1.86883 1.87315 1.87724 1.88616 1.90057 1.90512 1.91592 1.92687 1.92900 1.94061 1.95162 1.95552 1.95740 1.96484 1.98824 1.99658 1.99905 2.00920 2.01157 2.01886 2.02701 2.03181 2.03761 2.04184 2.05288 2.05322 2.06107 2.06813 2.07355 2.08187 2.08555 2.10533 2.11966 2.13017 2.15857 2.17597 2.17829 2.18655 2.19468 2.20788 2.22007 2.22883 2.23535 2.23826 2.24931 2.26175 2.26580 2.28367 2.32335 2.33661 2.34332 2.34870 2.35779 2.36300 2.37064 2.37339 2.37707 2.38742 2.39641 2.40349 2.40608 2.41251 2.41855 2.42562 2.43659 2.44891 2.46399 2.47422 2.49137 2.51954 2.54560 2.56105 2.59111 2.59652 2.60786 2.63720 2.64440 2.65403 2.67093 2.68794 2.69362 2.71486 2.72300 2.72600 2.73760 2.75384 2.75976 2.78012 2.79436 2.79925 2.80375 2.80565 2.81140 2.82523 2.83331 2.83943 2.84806 2.89216 2.90449 2.91390 2.95037 2.95133 2.96479 2.97459 2.98187 2.98917 2.98988 3.01008 3.01188 3.04698 3.07339 3.09441 3.10500 3.15402 3.16910 3.17616 3.21165 3.22360 3.23425 3.30000 3.32435 3.35532 3.38007 3.42802 3.48822 3.56502 3.57492 3.74734 3.75812 3.76740 3.81030 -19.28032 -19.21819 -14.51700 -14.51351 -10.40095 -10.36073 -10.35966 -10.35025 -10.34954 -10.34745 -10.33919 -10.32199 -10.31973 -10.31835 -10.31784 -10.31704 -10.31138 -10.30826 -10.30586 -10.30227 -10.30036 -10.29849 -10.28064 -6.80396 -1.17973 -1.14445 -1.08094 -1.04463 -0.96904 -0.94885 -0.88797 -0.86177 -0.85953 -0.85306 -0.84247 -0.83533 -0.80416 -0.76205 -0.73700 -0.71247 -0.70366 -0.69463 -0.68719 -0.67630 -0.65724 -0.62484 -0.62375 -0.59482 -0.58230 -0.57552 -0.57057 -0.56352 -0.55751 -0.55419 -0.55231 -0.54756 -0.54624 -0.53170 -0.52545 -0.52189 -0.51876 -0.51565 -0.50097 -0.48102 -0.47725 -0.46682 -0.46377 -0.45876 -0.44776 -0.44595 -0.44437 -0.43295 -0.42084 -0.41768 -0.39803 -0.37853 -0.36589 -0.35554 -0.34644 -0.34256 -0.34116 -0.33383 -0.32799 -0.31666 0.00229 0.03836 0.04441 0.05045 0.05741 0.07387 0.09379 0.13395 0.14334 0.15353 0.16178 0.16519 0.17001 0.18070 0.18365 0.18659 0.19346 0.19374 0.19946 0.20813 0.21066 0.21722 0.22236 0.22305 0.22702 0.22891 0.23282 0.23568 0.24022 0.25142 0.26249 0.27906 0.29299 0.30520 0.30806 0.31827 0.32259 0.32940 0.34184 0.35410 0.35751 0.37253 0.37520 0.38028 0.38749 0.39044 0.39971 0.40505 0.40951 0.41454 0.42771 0.43689 0.43832 0.45093 0.45239 0.46507 0.46998 0.48068 0.48887 0.49798 0.50335 0.50848 0.51102 0.51567 0.52746 0.53555 0.53990 0.54507 0.55305 0.55543 0.56380 0.56709 0.56869 0.57227 0.57884 0.58247 0.58530 0.58654 0.59615 0.60106 0.61164 0.61419 0.61992 0.63642 0.64015 0.64571 0.65805 0.66431 0.67446 0.68505 0.68643 0.70810 0.71478 0.71663 0.71698 0.72102 0.72312 0.72964 0.73387 0.73678 0.74111 0.74469 0.74687 0.75029 0.75177 0.75746 0.76265 0.76886 0.77197 0.78005 0.78318 0.78462 0.79212 0.79531 0.80619 0.80661 0.81187 0.81672 0.82056 0.82547 0.83552 0.83966 0.84422 0.85125 0.85490 0.86731 0.87930 0.88235 0.89988 0.90703 0.91338 0.91475 0.91764 0.92447 0.93343 0.94367 0.96803 0.97120 0.98410 1.00309 1.00826 1.01862 1.02521 1.03538 1.06421 1.07841 1.10314 1.11254 1.14529 1.14760 1.15585 1.16506 1.17611 1.18469 1.20368 1.22657 1.23218 1.24810 1.26170 1.27096 1.27860 1.28320 1.29916 1.30253 1.30654 1.31452 1.32480 1.32999 1.33380 1.34554 1.34930 1.35593 1.36112 1.36260 1.37068 1.37539 1.38844 1.39004 1.40139 1.41720 1.43387 1.45534 1.46230 1.48827 1.51393 1.54754 1.55867 1.56742 1.59055 1.59542 1.61102 1.62632 1.66207 1.67050 1.68699 1.69230 1.71268 1.71547 1.72465 1.74117 1.75161 1.75841 1.76469 1.77386 1.78272 1.78635 1.79289 1.80083 1.81617 1.82133 1.82604 1.82951 1.83367 1.83501 1.84041 1.84331 1.84699 1.85656 1.86122 1.86294 1.86799 1.86947 1.87370 1.87800 1.88676 1.90305 1.90875 1.91801 1.92797 1.92997 1.94245 1.95332 1.95839 1.96054 1.96608 1.98894 1.99734 2.00240 2.01167 2.01285 2.01984 2.02782 2.03309 2.03999 2.04343 2.05304 2.05603 2.06153 2.06891 2.07371 2.08482 2.08800 2.10608 2.12021 2.13257 2.15912 2.17726 2.18110 2.18699 2.19666 2.20973 2.22041 2.22937 2.23573 2.23861 2.25005 2.26353 2.26647 2.28506 2.32456 2.33744 2.34677 2.34975 2.35857 2.36486 2.37150 2.37436 2.37761 2.38792 2.39733 2.40445 2.40649 2.41309 2.41933 2.42640 2.43759 2.45030 2.46510 2.47521 2.49313 2.52118 2.55046 2.56295 2.59321 2.59922 2.60981 2.64091 2.64631 2.65565 2.67262 2.68904 2.69559 2.71607 2.72407 2.72770 2.73968 2.75591 2.76163 2.78420 2.79484 2.80118 2.80409 2.80617 2.81172 2.82670 2.83507 2.84332 2.85007 2.89432 2.90536 2.91898 2.95131 2.95304 2.96507 2.97633 2.98343 2.99033 2.99152 3.01182 3.01385 3.04984 3.07350 3.09618 3.10602 3.15520 3.16994 3.17678 3.21215 3.22458 3.23484 3.30095 3.32775 3.35632 3.38125 3.43004 3.49019 3.56594 3.57575 3.74776 3.75883 3.76811 3.81172 2-A. -1.03264018e+00 1.06413880e+00 5.59868456e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.6247 2.7048 1.4230 4.0286 -116.5297 -130.6420 -141.0628 2.1416 -4.8861 1.6466 12.8818 -1.2305 -11.6513 2.1416 -4.8861 1.6466 27.4533 10.7843 19.0979 38.5622 -54.0722 -17.9662 -26.1001 -0.0262 4.3202 -6.1804 -6963.6617 -3920.9677 -737.4312 34.1800 -23.0860 -131.2354 -16.7507 19.1854 12.8768 -1746.8579 -1347.7693 -792.0575 -17.0074 -59.5194 -33.8714 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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)|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) 0 2-A -1019.7432228 0.77701 0. 0.75027 7.281E-9 4.21E-6 9.6284588,-1.6743061,-7.9541527,-1.1284729,3.2061468,-3.176233 C01 [X(C19H20B1N2O2)] -1.1793582 -1.0569807 0.0639979 0.000001259 0.000000914 -0.000005191 -0.000001540 -0.000001948 0.000004542 -0.000000325 -0.000000466 0.000001147 0.000000191 0.000000188 -0.000001309 -0.000006436 -0.000006695 0.000013775 -0.000002140 0.000000750 0.000005367 0.000009000 0.000006296 -0.000026017 0.000003244 0.000005522 -0.000006052 -0.000001028 0.000002821 0.000001632 0.000003090 -0.000001595 -0.000003879 0.000000409 -0.000003706 -0.000003034 -0.000000524 0.000000770 0.000000504 -0.000000620 0.000002006 0.000000674 -0.000000125 0.000004892 -0.000000857 -0.000000670 -0.000001037 -0.000000441 -0.000000766 -0.000000283 0.000000133 0.000000679 -0.000001450 0.000000051 -0.000000296 -0.000000023 0.000000348 0.000003099 0.000002320 -0.000005655 0.000000404 0.000000844 -0.000000641 0.000000640 0.000000907 -0.000000646 0.000000005 0.000000013 -0.000000448 -0.000000009 0.000000540 -0.000000481 -0.000000134 -0.000000202 -0.000000561 -0.000002492 -0.000002196 0.000000286 -0.000000071 0.000000397 -0.000000120 0.000000172 0.000000430 -0.000000368 -0.000000229 -0.000000379 -0.000000079 0.000000269 0.000000435 -0.000000278 -0.000011336 -0.000000620 0.000005450 0.000004428 0.000001239 0.000006655 0.000002660 -0.000005926 -0.000002373 -0.000011537 -0.000009459 0.000010799 0.000007320 0.000002315 -0.000001356 0.000003534 0.000009611 -0.000001567 -0.000000344 0.000000968 -0.000002761 -0.000000755 -0.000000138 -0.000001082 0.000002124 -0.000003141 0.000005685 -0.000000705 0.000000035 -0.000002275 -0.000001795 -0.000005812 0.000006844 0.000000644 0.000000514 0.000000965 -0.000000158 -0.000000712 0.000000114 0.000000361 0.000001030 0.000000554 0.000000503 0.000000030 0.000001945 299.0264999999999 AuxInfo=1/0/N:15,26,11,13,22,24,9,10,20,21,1,2,8,19,7,30,5,6;33,41,35,38,40,39/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3;1.3,3.3,4.3,5.1/rA:44nC3C3HHNNC3C3C3C3C3HC3HC3HHHC3C3C3C3HC3HC3HHHBHHC3HC3HHC3OO1CHHH/rB:s1;s1;s2;s1;s2;s5s6;s5;s8;s8;s9;s9;s10;s10;s11s13;s11;s13;s15;s6;s19;s19;s20;s20;s21;s21;s22s24;s22;s24;s26;s7;s30;s30;;s33;s33;s35;s33;s35;s38;s38;s39;s41;s41;s41;/rC:-1.4724,-2.7154,.5842;-2.6776,-2.1389,.3772;-1.1404,-3.7394,.4432;-3.6185,-2.5596,.0366;-.6144,-1.7312,1.0408;-2.5569,-.8014,.72;-1.2675,-.5199,1.1317;.7433,-1.9855,1.4008;1.0083,-2.8621,2.454;1.7818,-1.3872,.6905;2.3287,-3.1468,2.7958;.1791,-3.3092,3.0066;3.0978,-1.668,1.0491;1.5824,-.6986,-.133;3.3751,-2.5469,2.0958;2.5389,-3.8321,3.6196;3.9067,-1.191,.4922;4.4098,-2.7651,2.369;-3.6267,.1295,.6267;-4.2948,.2803,-.5902;-4.0211,.8672,1.744;-5.3633,1.1694,-.6867;-3.9635,-.2893,-1.461;-5.0808,1.7628,1.6355;-3.4894,.7373,2.687;-5.7553,1.915,.4237;-5.8827,1.2877,-1.6397;-5.3856,2.3432,2.5085;-6.5873,2.6176,.3451;-.6633,.843,1.4703;-1.3987,1.7682,1.7102;.4907,.8736,1.8177;-.5333,1.4118,-.8813;-.3047,.405,-1.2392;.437,2.3681,-.919;.2246,3.4102,-.6745;-1.5854,1.6896,-.803;1.8253,2.0191,-1.2073;2.6262,3.0997,-1.2116;2.2518,.9016,-1.4268;3.9934,2.8627,-1.4749;4.4357,2.2056,-.7107;4.1332,2.3884,-2.4578;4.4864,3.8417,-1.4562; Gaussian 16 GINC-NODO02 BPR coments ES64L-G16RevC.02 126 C1[X(C19H20BN2O2)] 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 0 299.0264999999999 AuxInfo=1/0/N:15,26,11,13,22,24,9,10,20,21,1,2,8,19,7,30,5,6;33,41,35,38,40,39/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3;1.3,3.3,4.3,5.1/rA:44nC3C3HHNNC3C3C3C3C3HC3HC3HHHC3C3C3C3HC3HC3HHHBHHC3HC3HHC3OO1CHHH/rB:s1;s1;s2;s1;s2;s5s6;s5;s8;s8;s9;s9;s10;s10;s11s13;s11;s13;s15;s6;s19;s19;s20;s20;s21;s21;s22s24;s22;s24;s26;s7;s30;s30;;s33;s33;s35;s33;s35;s38;s38;s39;s41;s41;s41;/rC:-1.4724,-2.7154,.5842;-2.6776,-2.1389,.3772;-1.1404,-3.7394,.4432;-3.6185,-2.5596,.0366;-.6144,-1.7312,1.0408;-2.5569,-.8014,.72;-1.2675,-.5199,1.1317;.7433,-1.9855,1.4008;1.0083,-2.8621,2.454;1.7818,-1.3872,.6905;2.3287,-3.1468,2.7958;.1791,-3.3092,3.0066;3.0978,-1.668,1.0491;1.5824,-.6986,-.133;3.3751,-2.5469,2.0958;2.5389,-3.8321,3.6196;3.9067,-1.191,.4922;4.4098,-2.7651,2.369;-3.6267,.1295,.6267;-4.2948,.2803,-.5902;-4.0211,.8672,1.744;-5.3633,1.1694,-.6867;-3.9635,-.2893,-1.461;-5.0808,1.7628,1.6355;-3.4894,.7373,2.687;-5.7553,1.915,.4237;-5.8827,1.2877,-1.6397;-5.3856,2.3432,2.5085;-6.5873,2.6176,.3451;-.6633,.843,1.4703;-1.3987,1.7682,1.7102;.4907,.8736,1.8177;-.5333,1.4119,-.8813;-.3047,.405,-1.2392;.437,2.3681,-.919;.2246,3.4102,-.6745;-1.5854,1.6896,-.803;1.8253,2.0191,-1.2073;2.6262,3.0997,-1.2116;2.2518,.9016,-1.4268;3.9934,2.8627,-1.4749;4.4357,2.2056,-.7107;4.1332,2.3884,-2.4578;4.4864,3.8417,-1.4562; 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 12 1 1 14 14 12 12 12 12 12 1 12 1 12 1 1 1 12 12 12 12 1 12 1 12 1 1 1 11 1 1 12 1 12 1 1 12 16 16 12 1 1 1 12.0000000 12.0000000 1.0078250 1.0078250 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 11.0093053 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 0 0 1 1 2 2 0 0 0 0 0 1 0 1 0 1 1 1 0 0 0 0 1 0 1 0 1 1 1 3 1 1 0 1 0 1 1 0 0 0 0 1 1 1 3.6000000 3.6000000 1.0000000 1.0000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 2.7500000 1.0000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 5.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "2Ph_BH2_COOMe_TS.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 1 1 2 2 5 5 6 6 7 8 8 9 9 10 10 11 11 13 13 15 19 19 20 20 21 21 22 22 24 24 26 30 30 30 33 33 33 35 35 38 38 39 41 41 41 2 3 5 4 6 7 8 7 19 30 9 10 11 12 13 14 15 16 15 17 18 20 21 22 23 24 25 26 27 26 28 29 31 32 33 34 35 37 36 38 39 40 41 42 43 44 1.3519 1.0857 1.3831 1.0856 1.3859 1.3792 1.4274 1.3825 1.4212 1.5288 1.3957 1.3932 1.3933 1.0922 1.3927 1.0918 1.3946 1.092 1.3947 1.0917 1.0921 1.3964 1.3957 1.3934 1.0921 1.3917 1.0903 1.3938 1.0918 1.3952 1.0918 1.0918 1.206 1.2056 2.4229 1.0927 1.3628 1.091 1.0913 1.4603 1.3451 1.216 1.4124 1.1006 1.1003 1.0963 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 2 2 3 1 1 4 1 1 7 2 2 7 5 5 6 5 5 9 8 8 11 8 8 13 9 9 15 10 10 15 11 11 13 6 6 20 19 19 22 19 19 24 20 20 26 21 21 26 22 22 24 7 7 7 31 31 32 30 30 30 34 34 35 33 33 36 35 35 39 38 39 39 39 42 42 43 1 1 1 2 2 2 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 13 13 13 15 15 15 19 19 19 20 20 20 21 21 21 22 22 22 24 24 24 26 26 26 30 30 30 30 30 30 33 33 33 33 33 33 35 35 35 38 38 38 39 41 41 41 41 41 41 3 5 5 4 6 6 7 8 8 7 19 19 6 30 30 9 10 10 11 12 12 13 14 14 15 16 16 15 17 17 13 18 18 20 21 21 22 23 23 24 25 25 26 27 27 26 28 28 24 29 29 31 32 33 32 33 33 34 35 37 35 37 37 36 38 38 39 40 40 41 42 43 44 43 44 44 130.909 107.4653 121.6244 130.9582 107.2178 121.8086 110.6664 123.127 126.1752 110.5712 123.3906 126.0299 104.0748 127.6189 128.0325 118.8685 120.259 120.859 119.566 119.6508 120.7806 119.1133 121.2863 119.5983 120.0007 119.7164 120.2796 120.5445 118.7312 120.7236 119.9116 119.957 120.1314 119.2158 120.4242 120.3501 119.7479 119.5652 120.68 119.5317 119.444 121.0231 120.1223 119.6345 120.2387 120.4007 119.4918 120.1065 119.8426 120.0799 120.0774 119.1418 117.696 90.8928 120.4597 92.616 102.8488 96.4771 103.2875 86.4673 119.2384 117.3798 120.6601 121.6866 120.9749 117.2265 112.0049 126.0637 121.9311 116.2406 111.0841 111.2113 106.3972 108.1729 109.9148 110.0629 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 3 3 5 5 2 2 3 3 1 1 4 4 1 1 8 8 1 1 7 7 2 2 19 19 2 2 7 7 5 5 5 6 6 6 5 5 10 10 5 5 9 9 8 8 12 12 8 8 14 14 9 9 16 16 10 10 17 17 6 6 21 21 6 6 20 20 19 19 23 23 19 19 25 25 20 20 27 27 21 21 28 28 7 7 7 31 31 31 32 32 32 30 30 34 34 37 37 33 33 36 36 35 40 38 38 38 1 1 1 1 1 1 1 1 2 2 2 2 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 13 13 13 13 19 19 19 19 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 30 30 30 30 30 30 30 30 30 33 33 33 33 33 33 35 35 35 35 38 38 39 39 39 2 2 2 2 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 7 7 7 7 19 19 19 19 30 30 30 30 30 30 9 9 9 9 10 10 10 10 11 11 11 11 13 13 13 13 15 15 15 15 15 15 15 15 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 26 26 26 26 26 26 26 26 33 33 33 33 33 33 33 33 33 35 35 35 35 35 35 38 38 38 38 39 39 41 41 41 4 6 4 6 7 8 7 8 7 19 7 19 6 30 6 30 9 10 9 10 5 30 5 30 20 21 20 21 31 32 33 31 32 33 11 12 11 12 13 14 13 14 15 16 15 16 15 17 15 17 13 18 13 18 11 18 11 18 22 23 22 23 24 25 24 25 26 27 26 27 26 28 26 28 24 29 24 29 22 29 22 29 34 35 37 34 35 37 34 35 37 36 38 36 38 36 38 39 40 39 40 41 41 42 43 44 1.3297 179.8888 -179.0732 -0.5142 0.1562 178.2311 179.7986 -2.1265 0.7067 179.7132 179.4262 -1.5673 0.2655 -174.0654 -177.7372 7.932 -62.0438 116.6324 115.7246 -65.5992 -0.5908 173.708 -179.5651 -5.2662 -54.654 124.2042 124.1958 -56.946 -168.7185 -7.2453 97.7871 18.2689 179.742 -75.2256 178.3956 -2.1886 -0.2725 179.1433 -179.0253 1.4967 -0.3758 -179.8537 0.6404 179.9851 -178.7686 0.5761 0.661 -179.636 -179.8521 -0.1491 -0.3595 179.5654 -179.7006 0.2243 -0.2979 179.7774 -179.9949 0.0803 178.6649 -2.2911 -0.1942 178.8498 -179.2823 1.1146 -0.437 179.9599 0.6212 179.8493 -178.4119 0.8163 0.6458 -179.6952 -179.7575 -0.0985 -0.415 179.4899 -179.6385 0.2664 -0.2225 179.8725 -179.8795 0.2156 -35.0848 -157.2198 82.0905 -154.3106 83.5544 -37.1353 83.6221 -38.5129 -159.2027 -81.3583 94.6877 173.2731 -10.6808 12.4487 -171.5052 179.4224 -0.3921 -4.3611 175.8244 179.6833 -0.4934 -61.3157 59.2274 179.081 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. -0.02168 0.00135 0.00265 0.00280 0.00594 0.00659 0.00734 0.00883 0.01191 0.01220 0.01330 0.01508 0.01803 0.01821 0.01834 0.01847 0.01859 0.01911 0.01949 0.01995 0.02118 0.02387 0.02415 0.02442 0.02592 0.02611 0.02684 0.02749 0.02769 0.02867 0.02999 0.03013 0.03051 0.03060 0.03245 0.03354 0.04089 0.04178 0.04563 0.04773 0.05337 0.05721 0.06534 0.06953 0.07985 0.08249 0.08476 0.10091 0.10511 0.10946 0.10996 0.11211 0.11285 0.11357 0.11507 0.11553 0.12153 0.12232 0.12293 0.12453 0.12745 0.13285 0.15092 0.18075 0.18613 0.18782 0.18888 0.19010 0.19135 0.19524 0.19594 0.19623 0.21153 0.21703 0.22046 0.22129 0.23655 0.24052 0.24584 0.25229 0.26268 0.27196 0.28844 0.29992 0.30249 0.32446 0.34291 0.34403 0.35428 0.36096 0.36333 0.36412 0.36441 0.36479 0.36511 0.36555 0.36561 0.36701 0.36715 0.36788 0.36878 0.36956 0.37501 0.38065 0.38394 0.38438 0.39792 0.40691 0.41800 0.43083 0.43387 0.43476 0.44834 0.45783 0.46589 0.49321 0.49461 0.49541 0.49719 0.49869 0.51068 0.53375 0.53408 0.57372 0.62695 0.86535 R35 D32 D96 D29 D97 1 0.84313 -0.19109 -0.17771 -0.17074 -0.16884 D95 A58 A60 D94 A56 Angle between quadratic step and forces= 72.37 degrees. 1 2 0.00061764 0.00000016 0.00000006 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 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 2.55474 2.05164 2.61375 2.05147 2.61904 2.60625 2.69746 2.61249 2.68561 2.88903 2.63748 2.63275 2.63302 2.06398 2.63173 2.06319 2.63537 2.06352 2.63552 2.06303 2.06384 2.63881 2.63756 2.63312 2.06372 2.62995 2.06040 2.63383 2.06324 2.63650 2.06318 2.06318 2.27903 2.27816 4.57860 2.06496 2.57532 2.06160 2.06230 2.75953 2.54186 2.29798 2.66906 2.07988 2.07931 2.07166 2.28479 1.87562 2.12275 2.28565 1.87130 2.12596 1.93149 2.14897 2.20217 1.92983 2.15357 2.19964 1.81645 2.22737 2.23459 2.07465 2.09892 2.10939 2.08682 2.08830 2.10802 2.07892 2.11685 2.08738 2.09441 2.08945 2.09928 2.10390 2.07225 2.10703 2.09285 2.09364 2.09669 2.08071 2.10180 2.10051 2.08999 2.08681 2.10626 2.08622 2.08469 2.11225 2.09653 2.08802 2.09856 2.10139 2.08553 2.09625 2.09165 2.09579 2.09575 2.07942 2.05418 1.58638 2.10242 1.61645 1.79505 1.68384 1.80271 1.50914 2.08110 2.04866 2.10592 2.12383 2.11141 2.04599 1.95485 2.20023 2.12810 2.02878 1.93878 1.94100 1.85698 1.88797 1.91837 1.92096 0.02321 3.13965 -3.12542 -0.00897 0.00273 3.11072 3.13808 -0.03712 0.01233 3.13659 3.13158 -0.02735 0.00463 -3.03801 -3.10210 0.13844 -1.08287 2.03562 2.01977 -1.14492 -0.01031 3.03178 -3.13400 -0.09191 -0.95389 2.16777 2.16763 -0.99389 -2.94469 -0.12645 1.70671 0.31885 3.13709 -1.31293 3.11359 -0.03820 -0.00476 3.12664 -3.12458 0.02612 -0.00656 -3.13904 0.01118 3.14133 -3.12010 0.01006 0.01154 -3.13524 -3.13901 -0.00260 -0.00627 3.13401 -3.13637 0.00392 -0.00520 3.13771 -3.14150 0.00140 3.11829 -0.03999 -0.00339 3.12152 -3.12907 0.01945 -0.00763 3.14089 0.01084 3.13896 -3.11388 0.01425 0.01127 -3.13627 -3.13736 -0.00172 -0.00724 3.13269 -3.13528 0.00465 -0.00388 3.13937 -3.13949 0.00376 -0.61234 -2.74400 1.43275 -2.69323 1.45830 -0.64813 1.45948 -0.67218 -2.77861 -1.41997 1.65261 3.02419 -0.18642 0.21727 -2.99333 3.13151 -0.00684 -0.07612 3.06871 3.13607 -0.00861 -1.07016 1.03371 3.12555 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00002 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 -0.00003 -0.00000 0.00002 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 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 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 -0.00004 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00034 -0.00001 -0.00001 -0.00000 -0.00000 0.00002 -0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00003 0.00000 0.00001 -0.00002 0.00000 -0.00001 0.00005 -0.00003 0.00003 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00004 -0.00003 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00001 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 0.00012 -0.00010 -0.00014 0.00003 0.00011 -0.00010 -0.00029 0.00010 0.00017 -0.00008 0.00005 0.00004 0.00005 -0.00008 0.00003 0.00001 -0.00002 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00002 -0.00002 -0.00011 -0.00002 -0.00005 0.00004 -0.00002 0.00025 0.00003 0.00030 -0.00004 -0.00032 0.00003 -0.00025 -0.00001 -0.00040 -0.00029 -0.00068 0.00008 0.00003 0.00038 0.00034 0.00003 0.00042 0.00032 0.00071 -0.00024 -0.00022 -0.00056 -0.00055 0.00044 0.00060 0.00040 -0.00004 0.00012 -0.00008 -0.00013 -0.00011 -0.00008 -0.00007 0.00009 0.00020 0.00004 0.00015 0.00005 0.00001 0.00004 -0.00000 0.00002 0.00001 -0.00008 -0.00010 0.00001 -0.00002 0.00005 0.00002 -0.00005 -0.00001 -0.00003 0.00000 0.00003 0.00004 0.00002 0.00003 -0.00003 -0.00009 -0.00002 -0.00007 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00006 0.00005 -0.00002 -0.00001 -0.00002 -0.00001 0.00002 0.00001 0.00002 0.00001 -0.00039 -0.00023 -0.00032 -0.00051 -0.00035 -0.00043 -0.00055 -0.00039 -0.00048 -0.00046 -0.00041 -0.00014 -0.00010 -0.00018 -0.00014 -0.00016 -0.00014 -0.00012 -0.00010 0.00005 0.00003 0.00066 0.00066 0.00063 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 -0.00004 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00034 -0.00001 -0.00001 -0.00000 -0.00000 0.00002 -0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00003 0.00000 0.00001 -0.00002 0.00000 -0.00001 0.00005 -0.00003 0.00003 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00004 -0.00003 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00001 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 0.00012 -0.00010 -0.00014 0.00003 0.00011 -0.00010 -0.00029 0.00010 0.00017 -0.00008 0.00005 0.00004 0.00005 -0.00008 0.00003 0.00001 -0.00002 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00002 -0.00002 -0.00011 -0.00002 -0.00005 0.00004 -0.00002 0.00025 0.00003 0.00030 -0.00004 -0.00032 0.00003 -0.00025 -0.00001 -0.00040 -0.00029 -0.00068 0.00008 0.00003 0.00038 0.00034 0.00003 0.00042 0.00032 0.00071 -0.00024 -0.00022 -0.00056 -0.00055 0.00044 0.00060 0.00040 -0.00004 0.00012 -0.00008 -0.00013 -0.00011 -0.00008 -0.00007 0.00009 0.00020 0.00004 0.00015 0.00005 0.00001 0.00004 -0.00000 0.00002 0.00001 -0.00008 -0.00010 0.00001 -0.00002 0.00005 0.00002 -0.00005 -0.00001 -0.00003 0.00000 0.00003 0.00004 0.00002 0.00003 -0.00003 -0.00009 -0.00002 -0.00007 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00006 0.00005 -0.00002 -0.00001 -0.00002 -0.00001 0.00002 0.00001 0.00002 0.00001 -0.00039 -0.00023 -0.00032 -0.00051 -0.00035 -0.00043 -0.00055 -0.00039 -0.00048 -0.00046 -0.00041 -0.00014 -0.00010 -0.00018 -0.00014 -0.00016 -0.00014 -0.00012 -0.00010 0.00005 0.00003 0.00066 0.00066 0.00063 2.55474 2.05164 2.61376 2.05147 2.61904 2.60626 2.69747 2.61249 2.68561 2.88899 2.63748 2.63275 2.63302 2.06398 2.63173 2.06319 2.63536 2.06352 2.63552 2.06303 2.06384 2.63881 2.63755 2.63311 2.06372 2.62995 2.06040 2.63383 2.06324 2.63649 2.06318 2.06318 2.27903 2.27817 4.57894 2.06495 2.57532 2.06160 2.06230 2.75955 2.54185 2.29797 2.66906 2.07987 2.07932 2.07166 2.28480 1.87563 2.12274 2.28566 1.87130 2.12596 1.93149 2.14896 2.20220 1.92983 2.15359 2.19962 1.81645 2.22735 2.23464 2.07462 2.09895 2.10938 2.08683 2.08830 2.10801 2.07892 2.11688 2.08735 2.09440 2.08944 2.09928 2.10391 2.07225 2.10702 2.09285 2.09365 2.09669 2.08071 2.10179 2.10051 2.08999 2.08680 2.10627 2.08622 2.08469 2.11225 2.09653 2.08802 2.09856 2.10139 2.08553 2.09625 2.09165 2.09579 2.09574 2.07954 2.05408 1.58624 2.10245 1.61656 1.79495 1.68356 1.80281 1.50931 2.08102 2.04872 2.10596 2.12388 2.11133 2.04602 1.95487 2.20021 2.12810 2.02878 1.93879 1.94099 1.85698 1.88797 1.91840 1.92094 0.02310 3.13963 -3.12547 -0.00894 0.00271 3.11097 3.13811 -0.03681 0.01229 3.13626 3.13161 -0.02760 0.00462 -3.03842 -3.10239 0.13776 -1.08279 2.03565 2.02016 -1.14458 -0.01028 3.03220 -3.13368 -0.09120 -0.95413 2.16755 2.16707 -0.99444 -2.94425 -0.12585 1.70710 0.31881 3.13721 -1.31302 3.11346 -0.03831 -0.00483 3.12657 -3.12449 0.02632 -0.00652 -3.13889 0.01123 3.14135 -3.12006 0.01005 0.01156 -3.13523 -3.13909 -0.00270 -0.00626 3.13398 -3.13632 0.00393 -0.00525 3.13769 -3.14154 0.00140 3.11833 -0.03995 -0.00336 3.12155 -3.12910 0.01937 -0.00765 3.14082 0.01084 3.13896 -3.11388 0.01424 0.01127 -3.13628 -3.13731 -0.00167 -0.00726 3.13268 -3.13530 0.00464 -0.00387 3.13937 -3.13947 0.00378 -0.61274 -2.74423 1.43243 -2.69374 1.45795 -0.64857 1.45893 -0.67257 -2.77909 -1.42043 1.65220 3.02405 -0.18651 0.21709 -2.99347 3.13135 -0.00699 -0.07623 3.06862 3.13611 -0.00858 -1.06950 1.03437 3.12619 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000026 0.000005 0.002206 0.000618 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -2.850587e-08 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 460 A 436 A 436 740 460 85 84 1917.2177503428 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 -0.0353054885 0.000000 1.351912 0.000000 1.085680 2.220068 0.000000 2.220417 1.085591 2.774560 0.000000 1.383140 2.205256 2.160220 3.274077 0.000000 2.204022 1.385937 3.273300 2.164575 2.177313 0.000000 2.271928 2.275635 3.294721 3.299547 1.379169 1.382472 0.000000 2.471557 3.573996 2.746183 4.606114 1.427436 3.571652 2.502744 0.000000 3.109916 4.292078 3.070877 5.229104 2.430901 4.468112 3.523317 1.395696 0.000000 3.516364 4.533093 3.759454 5.564686 2.445976 4.378117 3.200790 1.393191 2.425632 0.000000 4.418808 5.650547 4.233360 6.582443 3.707569 5.803389 4.754252 2.410072 1.393333 2.797860 0.000000 2.991286 4.055063 2.914977 4.879008 2.642705 4.359246 3.658946 2.156192 1.092211 3.409879 2.166076 0.000000 4.711680 5.833396 4.756149 6.850555 3.712800 5.730198 4.514571 2.401761 2.786733 1.392652 2.414471 3.878765 0.000000 3.730077 4.525744 4.122186 5.526511 2.696354 4.227548 3.123118 2.170904 3.420973 1.091792 3.889583 4.317622 2.152550 0.000000 5.080511 6.305169 4.954164 7.290556 4.206508 6.334690 5.156767 2.779350 2.414409 2.420477 1.394575 3.409606 1.394659 3.405530 0.000000 5.152781 6.371161 4.861678 7.236829 4.583367 6.600000 5.625748 3.399612 2.154574 3.889823 1.091969 2.493609 3.406392 4.981550 2.161695 0.000000 5.591611 6.653109 5.654202 7.662216 4.586175 6.479293 5.256594 3.385819 3.878369 2.143127 3.409087 4.970323 1.091709 2.456705 2.166252 4.315895 0.000000 6.147173 7.388498 5.955099 8.362814 5.298627 7.423591 6.229241 3.871483 3.403904 3.409179 2.158398 4.312960 2.160332 4.303987 1.092135 2.490530 2.500654 0.000000 3.568731 2.471533 4.602503 2.753100 3.564741 1.421162 2.498450 4.916177 5.811346 5.617414 7.134840 5.654385 6.973385 5.328932 7.638463 7.916179 7.649364 8.717707 0.000000 4.280077 3.066536 5.213008 2.985829 4.500165 2.430411 3.573452 5.871957 6.874933 6.430004 8.190304 6.770272 7.818804 5.975688 8.604354 9.018503 8.402377 9.685061 1.396396 0.000000 4.547048 3.565041 5.586651 3.849711 4.341850 2.444735 3.143397 5.563715 6.301335 6.313874 7.585439 6.056235 7.588743 6.113443 8.153740 8.284623 8.285675 9.201277 1.395736 2.422312 0.000000 5.643204 4.392016 6.573068 4.180063 5.826637 3.706582 4.789111 7.183390 8.167893 7.712597 9.482867 8.025962 9.091417 7.213781 9.895082 10.295821 9.638092 10.969499 2.412947 1.393385 2.793021 0.000000 4.034105 2.907485 4.847494 2.741514 4.422029 2.645265 3.747475 5.763707 6.831196 6.232320 8.116504 6.799973 7.619914 5.717336 8.461821 8.980240 8.158847 9.534646 2.155788 1.092073 3.407761 2.164946 0.000000 5.846336 4.752021 6.871811 4.835060 5.701789 3.712607 4.472749 6.929991 7.690065 7.609859 8.963918 7.434480 8.888424 7.320153 9.501981 9.659173 9.529248 10.540905 2.408283 2.787312 1.391709 2.413372 3.879163 0.000000 4.517860 3.777109 5.531104 4.232148 4.131494 2.665786 2.989341 5.194602 5.765402 6.023682 6.996375 5.471245 7.201397 5.978118 7.632642 7.621695 7.952212 8.646687 2.152443 3.405462 1.090316 3.883259 4.299368 2.165579 0.000000 6.309467 5.090039 7.298578 4.973699 6.332818 4.206732 5.154631 7.642009 8.525817 8.233035 9.828561 8.317482 9.571150 7.809176 10.298978 10.584752 10.149170 11.358530 2.785749 2.415226 2.418370 1.393763 3.409099 1.395173 3.412265 0.000000 6.357818 5.107135 7.218011 4.768492 6.637371 4.581925 5.678796 7.991431 9.025884 8.445689 10.332842 8.914344 9.829377 7.870485 10.694231 11.171275 10.320935 11.765676 3.401189 2.153620 3.884831 1.091821 2.490530 3.405230 4.975050 2.160407 0.000000 6.678689 5.653725 7.699628 5.768049 6.443516 4.592266 5.201062 7.584684 8.244983 8.281985 9.472744 7.947506 9.496705 8.048800 10.041532 10.107712 10.144045 11.048182 3.396399 3.879095 2.150558 3.404092 4.970912 1.091786 2.491178 2.160241 4.309199 0.000000 7.393219 6.157177 8.371895 5.975945 7.421010 5.298513 6.225950 8.720101 9.600410 9.284297 10.896321 9.380522 10.614286 8.830049 11.357206 11.645104 11.164668 12.409857 3.877530 3.404871 3.406779 2.158689 4.312373 2.159931 4.314702 1.091786 2.490823 2.489997 0.000000 3.755200 3.760809 4.720248 4.729361 2.610255 2.617790 1.528810 3.159691 4.182065 3.399985 5.160203 4.506730 4.541846 3.160752 5.309529 6.060531 5.096890 6.289808 3.162646 4.213067 3.369021 5.181597 4.556961 4.515281 3.078719 5.307850 6.092023 5.062452 6.285621 0.000000 4.623393 4.321784 5.657366 5.143829 3.648204 2.987486 2.363778 4.332942 5.271342 4.594737 6.263387 5.472713 5.697666 4.286004 6.446560 7.107348 6.195768 7.397515 2.970394 3.986592 2.773067 4.671334 4.568163 3.682862 2.527448 4.544957 5.617776 4.106455 5.431969 1.206011 0.000000 4.272659 4.603034 5.082261 5.643166 2.934260 3.646720 2.346027 2.900339 3.824671 2.836950 4.527531 4.359638 3.721194 2.732923 4.482915 5.439243 4.205731 5.376118 4.350284 5.389886 4.512413 6.374057 5.651729 5.644977 4.076241 6.483878 7.262666 6.096530 7.436953 1.205551 2.093294 0.000000 4.479202 4.334671 5.353319 5.112111 3.685104 3.399633 2.884977 4.287136 5.636266 3.957839 6.518730 6.157231 5.137781 3.080629 6.309558 7.562773 5.326785 7.241900 3.672501 3.938757 4.399218 4.839931 3.872469 5.209300 4.682517 5.406049 5.404361 5.991874 6.293502 2.422890 2.755285 2.936468 0.000000 3.798048 3.836019 4.550296 4.625860 3.139758 3.219700 2.721039 3.712469 5.102746 3.359895 5.985980 5.661839 4.594629 2.450063 5.777292 7.046084 4.824972 6.730138 3.820099 4.044478 4.787969 5.145757 3.730695 5.737478 5.066349 5.895310 5.661673 6.604350 6.846635 2.767992 3.428425 3.193243 1.092729 0.000000 5.634413 5.629686 6.453298 6.453105 4.663781 4.657829 3.930859 4.942593 6.249712 4.301275 6.913267 6.907168 5.219533 3.366680 6.471408 7.966174 5.166968 7.276252 4.890161 5.182314 5.405412 5.927324 5.169066 6.110450 5.574876 6.352357 6.451762 6.756531 7.141433 3.040632 3.262264 3.118693 1.362803 2.122745 0.000000 6.479715 6.349896 7.364069 7.135419 5.484606 5.236333 4.575484 5.804305 7.052957 5.225235 7.711402 7.661836 6.083965 4.361144 7.286148 8.731961 6.007536 8.056884 5.223827 5.498004 5.508320 6.020377 5.643123 6.016389 5.677827 6.261042 6.537266 6.537881 6.933173 3.461106 3.319333 3.566037 2.147241 3.103245 1.091321 0.000000 4.619604 4.152479 5.587925 4.784817 4.005566 3.077088 2.954016 4.877071 6.168752 4.799455 7.187687 6.527973 6.052781 4.023379 7.138462 8.188924 6.335469 8.114665 2.940189 3.061406 3.618816 3.815267 3.162976 4.262530 4.088013 4.352431 4.396460 5.082763 5.215157 2.595153 2.521310 3.441526 1.090951 1.865665 2.136288 2.500595 0.000000 6.041434 6.330499 6.684281 7.221298 5.007104 5.556378 4.635016 4.899959 6.156190 3.899481 6.554770 6.989837 4.506096 2.932381 5.844706 7.618705 4.186280 6.508268 6.054592 6.392154 6.649601 7.257288 6.237211 7.472712 6.712281 7.754790 7.754735 8.118451 8.575523 3.840038 4.355342 3.499146 2.457252 2.672616 1.460281 2.186689 3.450354 0.000000 7.337469 7.622168 7.981201 8.519566 6.238052 6.768642 5.809858 6.019118 7.183178 4.946046 7.427497 8.053362 5.297577 4.084149 6.586692 8.449792 4.790943 7.099164 7.162398 7.499014 7.609599 8.236058 7.414266 8.324122 7.627632 8.621330 8.710256 8.865669 9.356470 4.806901 5.148753 4.323525 3.597292 3.981463 2.326720 2.480462 4.460143 1.345095 0.000000 5.567376 6.066089 6.045058 6.970089 4.608240 5.534631 4.577370 4.313473 5.547271 3.153121 5.850304 6.456152 3.667204 2.163911 5.055960 6.925058 3.286348 5.701705 6.274464 6.628973 7.028765 7.655587 6.328394 7.992846 7.064786 8.280371 8.146464 8.711698 9.176750 4.110233 4.890555 3.691705 2.883506 2.610967 2.387862 3.311899 3.966608 1.216036 2.240145 0.000000 8.076490 8.540997 8.580411 9.467233 6.976057 7.819859 6.776033 6.506780 7.557821 5.257539 7.558084 8.527945 5.263033 4.505169 6.511217 8.537565 4.506604 6.827931 8.363799 8.726178 8.864294 9.541283 8.558491 9.655360 8.822220 9.977020 10.002344 10.203099 10.738893 5.868431 6.357498 5.202577 4.790496 4.956755 3.633480 3.891638 5.740303 2.341824 1.412403 2.623287 0.000000 7.797285 8.405742 8.232109 9.388100 6.638517 7.745006 6.584051 5.971392 6.887943 4.681294 6.736709 7.896217 4.459952 4.112082 5.620266 7.668315 3.641943 5.847452 8.432092 8.941046 8.906932 9.853592 8.793933 9.811412 8.746830 10.258044 10.400750 10.336290 11.081054 5.710760 6.331810 4.871308 5.034882 5.098265 4.007441 4.380174 6.043853 2.663743 2.079593 2.642480 1.100625 0.000000 8.168510 8.655654 8.589345 9.528611 7.193863 8.064167 7.107133 6.746213 7.839563 5.449396 7.841908 8.829374 5.461170 4.630412 6.757764 8.841465 4.643912 7.066320 8.650577 8.886119 9.298473 9.736805 8.586018 10.101703 9.343419 10.310676 10.109407 10.736564 11.083205 6.389428 6.954063 5.817433 5.021507 5.011329 4.003812 4.416098 5.994105 2.650770 2.080906 2.610243 1.100324 1.782556 0.000000 9.092066 9.510623 9.630288 10.435332 7.956850 8.712235 7.670045 7.491996 8.504597 6.266142 8.460195 9.466037 6.209760 5.549640 7.393640 9.404471 5.427751 7.634621 9.161962 9.515437 9.563833 10.234727 9.405650 10.267062 9.508817 10.589609 10.680667 10.743431 11.285845 6.639011 6.997166 5.957691 5.606484 5.900209 4.342629 4.354411 6.474990 3.235058 2.017647 3.693067 1.096275 1.798659 1.800041 0.000000 C19H20BN2O2(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 0 299.0264999999999 AuxInfo=1/0/N:15,26,11,13,22,24,9,10,20,21,1,2,8,19,7,30,5,6;33,41,35,38,40,39/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3;1.3,3.3,4.3,5.1/rA:44nC3C3HHNNC3C3C3C3C3HC3HC3HHHC3C3C3C3HC3HC3HHHBHHC3HC3HHC3OO1CHHH/rB:s1;s1;s2;s1;s2;s5s6;s5;s8;s8;s9;s9;s10;s10;s11s13;s11;s13;s15;s6;s19;s19;s20;s20;s21;s21;s22s24;s22;s24;s26;s7;s30;s30;;s33;s33;s35;s33;s35;s38;s38;s39;s41;s41;s41;/rC:-.6025,2.5024,1.2829;-1.8682,2.0272,1.2784;-.1372,3.2803,1.8805;-2.7393,2.3175,1.8575;.1106,1.793,.3335;-1.9296,1.0329,.3148;-.6965,.862,-.2862;1.4824,2.0509,.0347;1.8382,3.3023,-.4705;2.4481,1.0751,.272;3.1774,3.5813,-.7356;1.0634,4.0478,-.6624;3.7821,1.3595,-.0091;2.1772,.0931,.6649;4.1505,2.6085,-.5086;3.4585,4.5595,-1.1311;4.5328,.5883,.1736;5.1991,2.8254,-.7233;-3.1095,.295,.0267;-3.7671,-.371,1.063;-3.6189,.2555,-1.2722;-4.9401,-1.0747,.7981;-3.347,-.3473,2.0708;-4.7839,-.4606,-1.5306;-3.0939,.7813,-2.07;-5.4481,-1.1245,-.4988;-5.4515,-1.5967,1.6093;-5.1791,-.4952,-2.5478;-6.3628,-1.6831,-.7072;-.2818,-.2062,-1.2982;-1.1362,-.8082,-1.9001;.8512,-.1789,-1.7092;-.18,-1.8787,.4518;.1849,-1.2128,1.2376;.6579,-2.8214,-.0642;.3067,-3.5758,-.7703;-1.2607,-1.9705,.3339;2.0854,-2.8073,.2433;2.7386,-3.8232,-.349;2.6581,-1.9977,.947;4.1301,-3.8909,-.1164;4.6388,-2.9905,-.4932;4.3501,-3.9853,.9575;4.4908,-4.7759,-.6535; 0.2914706 0.1647185 0.1150618 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 456 455 455 456 456 MxSgAt= 44 MxSgA2= 44. 1 open 1 1 1 -1019.74322283141 -1019.74322283 1 0.7770 1.008904889260e+03 -6.200632708095e+03 2.254802151149e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572429338 LenY= 1572217278 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. 0.7770 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. 13337 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. There are 135 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 132 vectors produced by pass 0 Test12= 5.94D-14 1.00D-09 XBig12= 3.15D+02 7.72D+00. AX will form 132 AO Fock derivatives at one time. 132 vectors produced by pass 1 Test12= 5.94D-14 1.00D-09 XBig12= 3.74D+01 1.03D+00. 132 vectors produced by pass 2 Test12= 5.94D-14 1.00D-09 XBig12= 1.11D+00 1.37D-01. 132 vectors produced by pass 3 Test12= 5.94D-14 1.00D-09 XBig12= 2.66D-02 2.54D-02. 132 vectors produced by pass 4 Test12= 5.94D-14 1.00D-09 XBig12= 3.54D-04 1.56D-03. 132 vectors produced by pass 5 Test12= 5.94D-14 1.00D-09 XBig12= 3.65D-06 1.42D-04. 132 vectors produced by pass 6 Test12= 5.94D-14 1.00D-09 XBig12= 3.47D-08 1.20D-05. 87 vectors produced by pass 7 Test12= 5.94D-14 1.00D-09 XBig12= 3.14D-10 1.18D-06. 15 vectors produced by pass 8 Test12= 5.94D-14 1.00D-09 XBig12= 2.65D-12 9.11D-08. 3 vectors produced by pass 9 Test12= 5.94D-14 1.00D-09 XBig12= 2.38D-14 8.51D-09. 1 vectors produced by pass 10 Test12= 5.94D-14 1.00D-09 XBig12= 2.82D-16 1.12D-09. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 1030 with 135 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 269.42 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 333.020 -17.799 298.413 -2.458 -2.818 176.821 306.214 0.874 291.431 -2.479 -2.803 227.331 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 C H H N N C C C C C H C H C H H H C C C C H C H C H H H B H H C H C H H C O O C H H H 13 13 1 1 14 14 13 13 13 13 13 1 13 1 13 1 1 1 13 13 13 13 1 13 1 13 1 1 1 11 1 1 13 1 13 1 1 13 17 17 13 1 1 1 -0.00463 -0.00141 -0.00027 -0.00052 0.04585 0.04231 -0.01486 -0.00731 0.00596 0.00312 -0.00034 -0.00016 -0.00076 -0.00011 0.00103 0.00011 0.00013 -0.00008 -0.00842 0.00742 0.00382 -0.00157 -0.00022 -0.00194 -0.00023 0.00235 0.00014 0.00020 -0.00017 0.05321 -0.00621 -0.00534 -0.03716 0.00393 0.05286 -0.00442 0.00454 -0.01589 0.00458 0.02100 -0.00116 0.00059 0.00057 -0.00000 -5.20528 -1.58175 -1.22802 -2.30939 14.81320 13.67118 -16.70183 -8.21772 6.69879 3.50799 -0.37673 -0.73592 -0.85717 -0.47491 1.15268 0.47479 0.57072 -0.36413 -9.46840 8.34701 4.29498 -1.76537 -1.00156 -2.17598 -1.03940 2.64124 0.63549 0.90122 -0.78078 76.32253 -27.75850 -23.85381 -41.77810 17.54634 59.42900 -19.75391 20.27958 -17.85956 -2.77841 -12.73098 -1.30871 2.64658 2.55393 -0.00019 -1.85737 -0.56441 -0.43819 -0.82405 5.28572 4.87822 -5.95963 -2.93229 2.39030 1.25174 -0.13443 -0.26259 -0.30586 -0.16946 0.41130 0.16942 0.20365 -0.12993 -3.37856 2.97842 1.53256 -0.62993 -0.35738 -0.77644 -0.37088 0.94246 0.22676 0.32158 -0.27860 27.23378 -9.90492 -8.51163 -14.90747 6.26097 21.20574 -7.04869 7.23626 -6.37274 -0.99141 -4.54273 -0.46698 0.94436 0.91130 -0.00007 -1.73630 -0.52762 -0.40962 -0.77033 4.94115 4.56021 -5.57113 -2.74113 2.23448 1.17014 -0.12566 -0.24548 -0.28592 -0.15841 0.38449 0.15837 0.19037 -0.12146 -3.15832 2.78426 1.43265 -0.58886 -0.33408 -0.72583 -0.34671 0.88102 0.21198 0.30062 -0.26044 25.45846 -9.25924 -7.95677 -13.93567 5.85283 19.82338 -6.58920 6.76454 -5.95731 -0.92678 -4.24660 -0.43654 0.88280 0.85190 -0.00006 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 -0.007704 -0.013871 -0.001697 0.001605 -0.135559 -0.132563 -0.056318 0.006954 -0.003036 -0.000820 0.002541 -0.000979 0.002958 0.001903 -0.001650 0.000364 0.001496 0.001015 0.005537 0.005887 -0.000706 0.001813 0.000224 0.002432 0.003464 0.000016 0.000856 0.001240 0.001390 -0.092536 -0.003569 0.010607 0.062090 0.000954 -0.158703 -0.015201 -0.008278 -0.004605 -0.032480 -0.110502 0.001722 0.002106 0.001352 0.001026 0.001693 0.002782 0.001427 -0.001745 0.053017 0.063635 -0.018746 0.002175 0.005296 0.005672 0.001001 0.002947 0.000340 0.001095 -0.002739 0.000301 -0.000319 -0.000457 -0.007684 -0.001106 -0.002126 -0.003687 -0.001512 -0.003960 -0.002719 0.007121 -0.000464 -0.000625 -0.000129 0.047746 0.001886 -0.008162 -0.026226 0.002149 0.032364 0.008723 0.006333 -0.002534 0.000007 0.004353 -0.000484 -0.000844 -0.000361 -0.000056 0.006011 0.011088 0.000270 0.000140 0.082542 0.068927 0.075065 -0.009130 -0.002260 -0.004852 -0.003542 -0.001969 -0.003298 -0.002997 0.004389 -0.000665 -0.001177 -0.000558 0.002147 -0.004782 0.002832 0.001874 0.001288 0.001528 -0.000745 -0.007137 -0.000392 -0.000615 -0.001261 0.044790 0.001683 -0.002444 -0.035864 -0.003103 0.126338 0.006478 0.001945 0.007139 0.032473 0.106149 -0.001238 -0.001261 -0.000991 -0.000970 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 -0.002948 -0.008248 0.001457 -0.002440 -0.086550 -0.078474 -0.010979 0.002776 0.006369 -0.003040 0.001428 0.001584 0.001056 -0.000413 0.001193 0.000776 0.000808 0.000714 0.009343 -0.007029 -0.005571 0.005177 0.000781 0.004726 -0.000130 -0.007466 0.000566 0.000541 0.000711 -0.040764 0.009098 -0.003153 -0.016709 -0.005267 0.054888 0.014213 -0.002404 0.002986 0.009287 0.023071 -0.001462 -0.000684 -0.001445 -0.001381 0.001891 0.006007 0.001022 -0.003473 0.094888 0.074651 0.021043 -0.000879 0.001473 0.000586 -0.000249 -0.000271 0.000148 0.002938 0.000975 -0.000142 0.000160 -0.000154 -0.000183 -0.008765 -0.004467 0.000661 -0.002045 0.001576 0.002298 -0.000818 -0.000262 0.000615 0.000283 0.037648 0.016186 -0.013655 0.002970 -0.002532 -0.059695 0.009180 -0.001518 0.004004 -0.017462 -0.031163 -0.000206 -0.000578 0.000862 -0.000367 -0.005975 -0.018453 0.003133 0.001312 -0.232741 -0.225787 -0.075209 -0.000569 0.004629 0.005400 -0.001255 -0.000666 -0.001279 0.000042 0.001735 -0.000205 -0.000040 0.000032 0.000442 0.004042 0.008903 -0.001423 -0.000714 -0.001531 -0.000795 0.001594 -0.000056 0.000114 0.000300 -0.143764 0.002758 -0.008837 0.095337 -0.006494 -0.248085 0.008441 -0.002029 -0.013189 -0.056877 -0.162032 -0.000073 0.000172 -0.000254 0.000222 0.9632 0.2683 -0.015 -0.2049 0.7692 0.6052 0.1739 -0.5799 0.7959 -0.0086 -0.0022 0.0108 -1.148 -0.298 1.446 -0.41 -0.106 0.516 -0.383 -0.099 0.482 1 C 13 0.8789 0.4631 0.1145 -0.4185 0.6334 0.6509 0.2289 -0.62 0.7505 -0.0174 -0.0107 0.0282 -2.339 -1.44 3.779 -0.835 -0.514 1.349 -0.78 -0.48 1.261 2 C 13 -0.5131 0.6499 -0.5607 0.8135 0.16 -0.5591 0.2737 0.743 0.6108 -0.0024 -0.0021 0.0045 -1.294 -1.127 2.422 -0.462 -0.402 0.864 -0.432 -0.376 0.808 3 H 1 0.6165 0.6974 0.3655 0.2686 -0.6227 0.735 0.7402 -0.3549 -0.5711 -0.0032 -0.0022 0.0055 -1.715 -1.196 2.91 -0.612 -0.427 1.039 -0.572 -0.399 0.971 4 H 1 0.9211 -0.0458 -0.3867 0.2873 0.7502 0.5955 0.2628 -0.6596 0.7042 -0.1711 -0.1649 0.336 -6.598 -6.359 12.957 -2.354 -2.269 4.624 -2.201 -2.121 4.322 5 N 14 0.6359 0.6447 0.4242 0.7356 -0.3399 -0.586 0.2336 -0.6847 0.6904 -0.1623 -0.1558 0.3181 -6.261 -6.008 12.268 -2.234 -2.144 4.378 -2.088 -2.004 4.092 6 N 14 -0.4293 0.7603 0.4875 0.8932 0.4372 0.1049 0.1334 -0.4805 0.8668 -0.0608 -0.0592 0.12 -8.155 -7.947 16.101 -2.91 -2.836 5.745 -2.72 -2.651 5.371 7 C 13 0.0478 0.0383 0.9981 -0.4188 0.908 -0.0148 0.9068 0.4173 -0.0594 -0.0092 9.0E-4 0.0083 -1.234 0.121 1.112 -0.44 0.043 0.397 -0.412 0.04 0.371 8 C 13 0.7973 -0.5314 0.2861 -0.4246 -0.1569 0.8917 0.429 0.8325 0.3507 -0.0068 -0.0038 0.0105 -0.906 -0.507 1.413 -0.323 -0.181 0.504 -0.302 -0.169 0.471 9 C 13 -0.2613 -0.4146 0.8717 0.9277 0.1417 0.3455 -0.2668 0.8989 0.3476 -0.0076 -0.0011 0.0087 -1.019 -0.143 1.162 -0.364 -0.051 0.415 -0.34 -0.048 0.388 10 C 13 -0.0191 0.2548 0.9668 -0.5526 0.8032 -0.2226 0.8332 0.5385 -0.1254 -0.0039 4.0E-4 0.0035 -0.519 0.049 0.47 -0.185 0.018 0.168 -0.173 0.016 0.157 11 C 13 0.1022 0.0993 0.9898 0.9381 -0.3407 -0.0627 0.331 0.9349 -0.1279 -0.0021 -0.0015 0.0036 -1.101 -0.819 1.92 -0.393 -0.292 0.685 -0.367 -0.273 0.641 12 H 1 -0.0707 0.3153 0.9464 -0.3446 0.8826 -0.3198 0.9361 0.3487 -0.0463 -0.0037 4.0E-4 0.0033 -0.501 0.053 0.449 -0.179 0.019 0.16 -0.167 0.018 0.15 13 C 13 -0.4253 -0.0391 0.9042 0.1261 0.9868 0.102 0.8962 -0.1574 0.4148 -0.0044 0.001 0.0033 -2.338 0.558 1.78 -0.834 0.199 0.635 -0.78 0.186 0.594 14 H 1 -0.4623 0.8766 -0.1334 0.8677 0.4163 -0.2716 0.1826 0.2413 0.9531 -0.0036 -0.0014 0.005 -0.487 -0.186 0.673 -0.174 -0.066 0.24 -0.163 -0.062 0.224 15 C 13 -0.0325 0.2234 0.9742 0.7017 -0.689 0.1814 0.7118 0.6895 -0.1344 -7.0E-4 -4.0E-4 0.0011 -0.377 -0.232 0.61 -0.135 -0.083 0.218 -0.126 -0.078 0.203 16 H 1 -0.0992 0.1358 0.9858 -0.3425 0.9255 -0.162 0.9343 0.3536 0.0453 -0.0012 -6.0E-4 0.0018 -0.639 -0.326 0.965 -0.228 -0.116 0.344 -0.213 -0.109 0.322 17 H 1 -0.3699 0.8495 -0.3762 -0.0804 0.3741 0.9239 0.9256 0.372 -0.0701 -8.0E-4 -5.0E-4 0.0013 -0.417 -0.283 0.701 -0.149 -0.101 0.25 -0.139 -0.095 0.234 18 H 1 -0.4593 0.8877 -0.0325 -0.0194 0.0265 0.9995 0.8881 0.4597 0.005 -0.0125 0.0022 0.0104 -1.682 0.29 1.392 -0.6 0.104 0.497 -0.561 0.097 0.464 19 C 13 0.4848 -0.0148 0.8745 0.4013 0.8921 -0.2074 0.7771 -0.4515 -0.4384 -0.0097 -0.0052 0.0149 -1.303 -0.699 2.002 -0.465 -0.249 0.714 -0.435 -0.233 0.668 20 C 13 0.2703 0.8223 -0.5007 0.8503 0.0401 0.5248 -0.4516 0.5676 0.6884 -0.0094 -0.0037 0.0131 -1.258 -0.5 1.758 -0.449 -0.178 0.627 -0.42 -0.167 0.587 21 C 13 -0.5055 0.8455 0.1719 0.1388 -0.117 0.9834 0.8516 0.5209 -0.0582 -0.0071 0.0021 0.0049 -0.949 0.287 0.662 -0.339 0.102 0.236 -0.317 0.096 0.221 22 C 13 -0.4086 0.9108 -0.0597 0.6846 0.349 0.6399 -0.6036 -0.2206 0.7662 -0.0018 -0.0013 0.0031 -0.969 -0.688 1.656 -0.346 -0.245 0.591 -0.323 -0.229 0.552 23 H 1 -0.4672 0.8511 0.2396 -0.0746 -0.3079 0.9485 0.881 0.4253 0.2074 -0.007 0.0019 0.0051 -0.937 0.255 0.682 -0.334 0.091 0.243 -0.313 0.085 0.228 24 C 13 -0.1347 0.8906 0.4343 -0.3902 -0.4506 0.8029 0.9108 -0.0613 0.4082 -0.0031 -0.0014 0.0045 -1.647 -0.755 2.402 -0.588 -0.269 0.857 -0.549 -0.252 0.801 25 H 1 -0.0018 -0.1107 0.9939 0.8474 0.5275 0.0603 -0.5309 0.8423 0.0928 -0.0073 -0.0047 0.012 -0.981 -0.629 1.611 -0.35 -0.225 0.575 -0.327 -0.21 0.537 26 C 13 -0.3648 0.9184 -0.1531 0.108 0.205 0.9728 0.9248 0.3383 -0.174 -7.0E-4 -4.0E-4 0.0011 -0.362 -0.231 0.593 -0.129 -0.082 0.212 -0.121 -0.077 0.198 27 H 1 -0.3662 0.5415 0.7568 -0.0355 0.8045 -0.5928 0.9299 0.244 0.2754 -8.0E-4 -7.0E-4 0.0016 -0.443 -0.391 0.835 -0.158 -0.14 0.298 -0.148 -0.13 0.278 28 H 1 -0.0448 -0.2156 0.9754 -0.3917 0.902 0.1814 0.919 0.374 0.1249 -0.0013 -4.0E-4 0.0017 -0.715 -0.202 0.917 -0.255 -0.072 0.327 -0.238 -0.067 0.306 29 H 1 0.9389 0.3335 0.0849 -0.2895 0.6324 0.7185 -0.1859 0.6992 -0.6903 -0.1036 -0.0969 0.2005 -17.74 -16.594 34.334 -6.33 -5.921 12.251 -5.917 -5.535 11.453 30 B 11 0.7731 -0.2638 -0.5768 -0.0784 0.8627 -0.4996 0.6294 0.4315 0.6463 -0.0187 -5.0E-4 0.0193 -10.004 -0.287 10.291 -3.57 -0.103 3.672 -3.337 -0.096 3.433 31 H 1 0.3746 0.6515 0.6597 -0.414 0.7542 -0.5097 0.8296 0.0822 -0.5523 -0.0189 -5.0E-4 0.0194 -10.097 -0.245 10.342 -3.603 -0.088 3.69 -3.368 -0.082 3.45 32 H 1 -0.0721 -0.69 0.7202 0.7282 0.457 0.5107 0.6816 -0.5613 -0.4695 -0.1275 0.0537 0.0738 -17.108 7.204 9.904 -6.105 2.571 3.534 -5.707 2.403 3.304 33 C 13 0.4363 0.566 0.6995 0.7696 0.168 -0.616 -0.4662 0.8071 -0.3623 -0.0099 0.0018 0.0081 -5.302 0.977 4.325 -1.892 0.349 1.543 -1.768 0.326 1.443 34 H 1 -0.6366 0.6534 0.4096 0.7547 0.4184 0.5053 -0.1588 -0.6308 0.7595 -0.1766 -0.1682 0.3449 -23.702 -22.576 46.279 -8.458 -8.056 16.513 -7.906 -7.531 15.437 35 C 13 0.9134 -0.3642 -0.182 -0.0785 -0.5961 0.7991 0.3995 0.7155 0.573 -0.0227 -7.0E-4 0.0234 -12.111 -0.385 12.496 -4.321 -0.137 4.459 -4.04 -0.128 4.168 36 H 1 0.9703 0.1746 0.1674 -0.2136 0.2941 0.9316 -0.1135 0.9397 -0.3227 -0.009 0.0017 0.0073 -4.787 0.881 3.906 -1.708 0.314 1.394 -1.597 0.294 1.303 37 H 1 -0.4486 0.7192 0.5305 0.8904 0.411 0.1957 0.0773 -0.5602 0.8248 -0.0141 -0.0023 0.0165 -1.896 -0.315 2.21 -0.676 -0.112 0.789 -0.632 -0.105 0.737 38 C 13 0.3467 0.7132 0.6092 0.9219 -0.3789 -0.0811 -0.173 -0.5897 0.7889 -0.0441 -0.0348 0.0788 3.188 2.515 -5.703 1.138 0.898 -2.035 1.063 0.839 -1.902 39 O 17 0.9244 -0.3579 -0.132 0.3643 0.7254 0.5841 -0.1133 -0.588 0.8009 -0.115 -0.1145 0.2295 8.32 8.287 -16.607 2.969 2.957 -5.926 2.775 2.764 -5.54 40 O 17 0.3252 0.5868 0.7415 0.3052 0.6771 -0.6697 0.895 -0.4441 -0.0411 -0.0014 -0.0011 0.0025 -0.186 -0.144 0.33 -0.066 -0.051 0.118 -0.062 -0.048 0.11 41 C 13 0.1341 -0.1467 0.98 0.2344 0.9656 0.1125 0.9629 -0.2146 -0.1639 -0.0014 -0.001 0.0024 -0.729 -0.528 1.257 -0.26 -0.189 0.449 -0.243 -0.176 0.419 42 H 1 -0.4874 -0.5028 0.7139 0.2073 0.7276 0.6539 0.8482 -0.4667 0.2504 -0.0014 -0.001 0.0024 -0.748 -0.534 1.282 -0.267 -0.19 0.457 -0.249 -0.178 0.427 43 H 1 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) PT12762.100S 2025-07-13T12:09:04.000 -19.28079 -19.21957 -14.51957 -14.51622 -10.40084 -10.36050 -10.36032 -10.35043 -10.34962 -10.34727 -10.33917 -10.32220 -10.31965 -10.31852 -10.31782 -10.31716 -10.31152 -10.30823 -10.30592 -10.30223 -10.29864 -10.29863 -10.28436 -6.80667 -1.18106 -1.14865 -1.08340 -1.04954 -0.96946 -0.94959 -0.88961 -0.86646 -0.86137 -0.85427 -0.84280 -0.83604 -0.80398 -0.76446 -0.73803 -0.71307 -0.70511 -0.69818 -0.68829 -0.68057 -0.65862 -0.62613 -0.62458 -0.59542 -0.58674 -0.57923 -0.57237 -0.56935 -0.56041 -0.55820 -0.55485 -0.54941 -0.54805 -0.53234 -0.52710 -0.52270 -0.52019 -0.51694 -0.50172 -0.48245 -0.47888 -0.47216 -0.46507 -0.45925 -0.44924 -0.44719 -0.44487 -0.43450 -0.42289 -0.42146 -0.40885 -0.38135 -0.37260 -0.36913 -0.34921 -0.34636 -0.34401 -0.33498 -0.33085 -0.32811 -0.19308 0.02828 0.04399 0.04592 0.05670 0.06031 0.08895 0.13296 0.14289 0.14432 0.15335 0.16173 0.16765 0.17714 0.18124 0.18433 0.18964 0.19338 0.19891 0.20788 0.21001 0.21590 0.22186 0.22281 0.22628 0.22809 0.23003 0.23383 0.23807 0.25027 0.26190 0.27591 0.29017 0.30203 0.30692 0.31654 0.32098 0.32852 0.34120 0.35338 0.35691 0.37151 0.37454 0.37943 0.38622 0.38861 0.39843 0.40339 0.40762 0.41292 0.42704 0.43636 0.43771 0.44947 0.45189 0.46313 0.46941 0.47921 0.48488 0.49566 0.50061 0.50619 0.51032 0.51334 0.52689 0.53397 0.53907 0.54458 0.55166 0.55402 0.56335 0.56669 0.56805 0.57062 0.57725 0.57982 0.58362 0.58621 0.59415 0.59929 0.61027 0.61322 0.61917 0.63545 0.63927 0.64485 0.65712 0.66316 0.67312 0.68245 0.68449 0.70682 0.71312 0.71589 0.71612 0.72069 0.72219 0.72800 0.73307 0.73568 0.74025 0.74412 0.74637 0.74873 0.75129 0.75671 0.76118 0.76807 0.77050 0.77817 0.78176 0.78309 0.79046 0.79346 0.80464 0.80626 0.81100 0.81550 0.82031 0.82482 0.83461 0.83875 0.84243 0.84972 0.85392 0.86609 0.87815 0.88170 0.89869 0.90625 0.91139 0.91401 0.91650 0.92276 0.93136 0.94268 0.96591 0.96868 0.98288 0.99938 1.00600 1.01599 1.02174 1.03287 1.05886 1.07735 1.10176 1.11038 1.14435 1.14526 1.15368 1.16308 1.17186 1.18127 1.19870 1.22008 1.22703 1.24551 1.26034 1.26883 1.27794 1.28107 1.29657 1.30170 1.30508 1.31393 1.32383 1.32951 1.33318 1.34412 1.34866 1.35505 1.35998 1.36139 1.36985 1.37481 1.38762 1.38942 1.40012 1.41488 1.42950 1.45151 1.45909 1.48534 1.51169 1.54390 1.55701 1.56538 1.58164 1.59006 1.61086 1.62586 1.66113 1.66921 1.68613 1.69105 1.71035 1.71311 1.72366 1.74060 1.75078 1.75720 1.76359 1.77189 1.78224 1.78576 1.79169 1.80049 1.81492 1.82098 1.82560 1.82883 1.83291 1.83399 1.83979 1.84299 1.84661 1.85519 1.86001 1.86230 1.86716 1.86883 1.87315 1.87724 1.88616 1.90057 1.90512 1.91592 1.92687 1.92900 1.94061 1.95162 1.95552 1.95740 1.96484 1.98824 1.99658 1.99905 2.00920 2.01157 2.01886 2.02701 2.03181 2.03761 2.04184 2.05288 2.05322 2.06107 2.06813 2.07355 2.08187 2.08555 2.10533 2.11966 2.13017 2.15857 2.17597 2.17829 2.18655 2.19468 2.20788 2.22007 2.22883 2.23535 2.23826 2.24931 2.26175 2.26580 2.28367 2.32335 2.33661 2.34332 2.34870 2.35779 2.36300 2.37064 2.37339 2.37707 2.38742 2.39641 2.40349 2.40608 2.41251 2.41855 2.42562 2.43659 2.44891 2.46399 2.47422 2.49137 2.51954 2.54560 2.56105 2.59111 2.59652 2.60786 2.63720 2.64440 2.65403 2.67093 2.68794 2.69362 2.71486 2.72300 2.72600 2.73760 2.75384 2.75976 2.78012 2.79436 2.79925 2.80375 2.80565 2.81140 2.82523 2.83331 2.83943 2.84806 2.89216 2.90449 2.91390 2.95037 2.95133 2.96479 2.97459 2.98187 2.98917 2.98988 3.01008 3.01188 3.04698 3.07339 3.09441 3.10500 3.15402 3.16910 3.17616 3.21165 3.22360 3.23425 3.30000 3.32435 3.35532 3.38007 3.42802 3.48822 3.56502 3.57492 3.74734 3.75812 3.76740 3.81030 -19.28032 -19.21819 -14.51700 -14.51351 -10.40095 -10.36073 -10.35966 -10.35025 -10.34954 -10.34745 -10.33919 -10.32199 -10.31973 -10.31835 -10.31784 -10.31704 -10.31138 -10.30826 -10.30586 -10.30227 -10.30036 -10.29849 -10.28064 -6.80396 -1.17973 -1.14445 -1.08094 -1.04463 -0.96904 -0.94885 -0.88797 -0.86177 -0.85953 -0.85306 -0.84247 -0.83533 -0.80416 -0.76205 -0.73700 -0.71247 -0.70366 -0.69463 -0.68719 -0.67630 -0.65724 -0.62484 -0.62375 -0.59482 -0.58230 -0.57552 -0.57057 -0.56352 -0.55751 -0.55419 -0.55231 -0.54756 -0.54624 -0.53170 -0.52545 -0.52189 -0.51876 -0.51565 -0.50097 -0.48102 -0.47725 -0.46682 -0.46377 -0.45876 -0.44776 -0.44595 -0.44437 -0.43295 -0.42084 -0.41768 -0.39803 -0.37853 -0.36589 -0.35554 -0.34644 -0.34256 -0.34116 -0.33383 -0.32799 -0.31666 0.00229 0.03836 0.04441 0.05045 0.05741 0.07387 0.09379 0.13395 0.14334 0.15353 0.16178 0.16519 0.17001 0.18070 0.18365 0.18659 0.19346 0.19374 0.19946 0.20813 0.21066 0.21722 0.22236 0.22305 0.22702 0.22891 0.23282 0.23568 0.24022 0.25142 0.26249 0.27906 0.29299 0.30520 0.30806 0.31827 0.32259 0.32940 0.34184 0.35410 0.35751 0.37253 0.37520 0.38028 0.38749 0.39044 0.39971 0.40505 0.40951 0.41454 0.42771 0.43689 0.43832 0.45093 0.45239 0.46507 0.46998 0.48068 0.48887 0.49798 0.50335 0.50848 0.51102 0.51567 0.52746 0.53555 0.53990 0.54507 0.55305 0.55543 0.56380 0.56709 0.56869 0.57227 0.57884 0.58247 0.58530 0.58654 0.59615 0.60106 0.61164 0.61419 0.61992 0.63642 0.64015 0.64571 0.65805 0.66431 0.67446 0.68505 0.68643 0.70810 0.71478 0.71663 0.71698 0.72102 0.72312 0.72964 0.73387 0.73678 0.74111 0.74469 0.74687 0.75029 0.75177 0.75746 0.76265 0.76886 0.77197 0.78005 0.78318 0.78462 0.79212 0.79531 0.80619 0.80661 0.81187 0.81672 0.82056 0.82547 0.83552 0.83966 0.84422 0.85125 0.85490 0.86731 0.87930 0.88235 0.89988 0.90703 0.91338 0.91475 0.91764 0.92447 0.93343 0.94367 0.96803 0.97120 0.98410 1.00309 1.00826 1.01862 1.02521 1.03538 1.06421 1.07841 1.10314 1.11254 1.14529 1.14760 1.15585 1.16506 1.17611 1.18469 1.20368 1.22657 1.23218 1.24810 1.26170 1.27096 1.27860 1.28320 1.29916 1.30253 1.30654 1.31452 1.32480 1.32999 1.33380 1.34554 1.34930 1.35593 1.36112 1.36260 1.37068 1.37539 1.38844 1.39004 1.40139 1.41720 1.43387 1.45534 1.46230 1.48827 1.51393 1.54754 1.55867 1.56742 1.59055 1.59542 1.61102 1.62632 1.66207 1.67050 1.68699 1.69230 1.71268 1.71547 1.72465 1.74117 1.75161 1.75841 1.76469 1.77386 1.78272 1.78635 1.79289 1.80083 1.81617 1.82133 1.82604 1.82951 1.83367 1.83501 1.84041 1.84331 1.84699 1.85656 1.86122 1.86294 1.86799 1.86947 1.87370 1.87800 1.88676 1.90305 1.90875 1.91801 1.92797 1.92997 1.94245 1.95332 1.95839 1.96054 1.96608 1.98894 1.99734 2.00240 2.01167 2.01285 2.01984 2.02782 2.03309 2.03999 2.04343 2.05304 2.05603 2.06153 2.06891 2.07371 2.08482 2.08800 2.10608 2.12021 2.13257 2.15912 2.17726 2.18110 2.18699 2.19666 2.20973 2.22041 2.22937 2.23573 2.23861 2.25005 2.26353 2.26647 2.28506 2.32456 2.33744 2.34677 2.34975 2.35857 2.36486 2.37150 2.37436 2.37761 2.38792 2.39733 2.40445 2.40649 2.41309 2.41933 2.42640 2.43759 2.45030 2.46510 2.47521 2.49313 2.52118 2.55046 2.56295 2.59321 2.59922 2.60981 2.64091 2.64631 2.65565 2.67262 2.68904 2.69559 2.71607 2.72407 2.72770 2.73968 2.75591 2.76163 2.78420 2.79484 2.80118 2.80409 2.80617 2.81172 2.82670 2.83507 2.84332 2.85007 2.89432 2.90536 2.91898 2.95131 2.95304 2.96507 2.97633 2.98343 2.99033 2.99152 3.01182 3.01385 3.04984 3.07350 3.09618 3.10602 3.15520 3.16994 3.17678 3.21215 3.22458 3.23484 3.30095 3.32775 3.35632 3.38125 3.43004 3.49019 3.56594 3.57575 3.74776 3.75883 3.76811 3.81172 2-A. -1.03264129e+00 1.06414024e+00 5.59868222e-01 3.33019720e+02 -1.77994127e+01 2.98413364e+02 -2.45843337e+00 -2.81766692e+00 1.76821234e+02 -382.5092 -3.6834 -3.2664 -0.0008 -0.0008 -0.0004 0.5979 19.9943 27.7186 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 -382.5092 19.9850 27.7165 31.0156 42.5685 47.9015 58.0905 70.3850 82.8747 95.6303 122.6623 133.8041 139.2558 155.3032 209.8108 237.8094 246.2371 269.8045 300.8597 309.7332 353.9381 368.1565 416.2349 419.1866 427.7405 429.5052 476.3739 485.6166 543.0878 582.7154 595.2676 619.7569 627.9235 634.9536 652.6065 667.2463 680.1326 690.6816 720.2380 726.0469 729.4535 732.0737 735.2047 755.6940 801.0457 802.7741 821.0808 860.7306 866.7842 868.7664 882.9041 892.3782 939.4946 956.6532 963.4118 970.4815 974.3707 1012.5820 1013.9141 1023.7904 1025.5809 1027.3912 1039.1159 1054.4295 1059.5851 1060.7815 1085.4297 1101.6842 1108.9808 1113.5539 1121.0754 1148.3693 1175.6876 1179.0662 1182.6181 1184.0867 1194.5255 1196.7835 1213.1797 1239.4532 1258.8444 1282.8983 1320.0231 1327.5669 1330.1285 1358.6360 1370.3411 1373.4055 1389.1702 1426.7868 1445.9098 1468.0240 1474.7263 1487.1085 1489.4493 1499.1887 1504.0222 1557.9323 1560.0540 1606.9157 1653.7109 1681.6870 1683.2654 1696.3714 1699.1280 1805.5242 2583.4531 2670.1351 3055.6037 3149.1723 3169.5562 3192.2249 3204.8341 3207.8049 3213.9742 3214.9812 3219.4036 3223.0430 3225.9343 3228.8815 3232.2428 3232.4187 3241.7135 3281.6997 3298.6963 3319.9834 10.2168 4.4382 5.0980 4.3932 3.9720 5.0084 4.5114 4.5958 5.2338 3.5664 4.8668 4.1057 1.7174 2.1930 4.2986 2.9127 5.8152 2.9561 4.7166 3.4095 3.9398 3.6459 4.8113 4.7489 2.9169 2.9961 3.7944 3.7553 3.2335 1.8750 1.7031 3.9637 3.7242 1.9058 3.5806 5.8253 2.8178 3.3070 1.7355 2.5736 2.4265 1.7951 2.0399 1.3689 1.8950 1.9196 4.2986 1.6500 1.3169 1.2739 1.2566 2.2060 1.3528 1.4772 1.1795 3.0617 1.7946 3.4229 1.4220 4.6862 1.4602 3.3685 1.3526 1.4404 1.8454 1.8156 1.7651 3.3304 1.4219 1.4579 1.4196 1.9685 1.0968 1.1016 1.4671 1.3008 1.1151 1.1207 1.5274 2.0202 2.3913 2.6407 2.6404 1.6454 1.5181 2.9441 4.2330 6.0256 2.9712 1.9160 3.2655 1.0462 1.2128 3.2634 1.1599 2.5388 2.6218 3.1980 3.3300 3.8762 5.6429 6.6115 6.5663 6.4575 6.3999 10.5862 1.0569 1.1295 1.0325 1.1071 1.0582 1.1073 1.0868 1.0870 1.0916 1.0909 1.0951 1.0953 1.0980 1.0936 1.0993 1.1008 1.0980 1.1180 1.0915 1.1129 0.8807 0.0010 0.0023 0.0025 0.0042 0.0068 0.0090 0.0134 0.0212 0.0192 0.0431 0.0433 0.0196 0.0312 0.1115 0.0971 0.2077 0.1268 0.2515 0.1927 0.2908 0.2912 0.4911 0.4917 0.3144 0.3256 0.5073 0.5218 0.5619 0.3751 0.3556 0.8970 0.8652 0.4527 0.8985 1.5281 0.7680 0.9295 0.5304 0.7993 0.7607 0.5668 0.6497 0.4606 0.7164 0.7288 1.7075 0.7202 0.5830 0.5665 0.5771 1.0350 0.7035 0.7965 0.6450 1.6990 1.0038 2.0678 0.8613 2.8940 0.9049 2.0949 0.8605 0.9436 1.2207 1.2037 1.2252 2.3815 1.0303 1.0651 1.0512 1.5295 0.8933 0.9023 1.2089 1.0745 0.9375 0.9458 1.3245 1.8286 2.2327 2.5607 2.7107 1.7086 1.5825 3.2019 4.6834 6.6965 3.3783 2.2981 4.0223 1.3284 1.5540 4.2522 1.5161 3.3619 3.4943 4.5733 4.7751 5.8972 9.0923 11.0165 10.9616 10.9486 10.8862 20.3328 4.1561 4.7446 5.6797 6.4690 6.2634 6.6483 6.5768 6.5902 6.6435 6.6434 6.6872 6.7039 6.7321 6.7174 6.7667 6.7767 6.7984 7.0937 6.9976 7.2270 678.2577 0.3491 0.0473 0.8284 1.4541 0.7665 0.6812 0.5415 1.3581 2.1699 0.4835 1.4958 6.2274 9.5569 6.8182 4.5806 1.1249 7.4785 1.5338 4.9530 29.4958 2.6165 0.2717 0.2922 0.6564 0.5606 0.8329 3.2348 20.4177 3.6497 1.4809 0.3672 3.7561 1.9178 1.6082 1.1127 32.8388 12.6879 75.0880 13.7111 19.1476 15.5757 37.1315 196.6740 31.2452 22.9815 32.9222 44.0682 0.7410 0.5354 0.5256 23.6686 82.9761 3.9617 16.4037 8.0019 1.8161 0.2352 0.2075 1.3308 0.8682 0.9097 0.2046 0.5030 7.1364 2.1675 10.6677 11.7484 7.4557 6.7013 7.0547 16.4867 0.8780 0.3348 47.3932 0.9168 0.2630 9.9404 21.1898 626.0318 102.9433 33.2516 375.3662 18.5200 48.4278 1.4843 49.8186 1.6475 918.0112 59.3892 103.2329 10.4009 65.7472 103.2373 14.7172 2.8511 28.4963 42.2479 240.9688 363.3162 3.4352 4.3560 5.6681 34.0208 26.8816 208.6457 50.9708 132.8566 58.3556 20.0299 10.1154 20.2958 0.0595 1.8253 11.2928 2.5407 26.1337 8.5959 1.4544 0.7896 11.5908 13.3384 0.6905 0.4599 11.5105 2.5387 0.00 -0.01 0.01 0.01 -0.02 0.02 -0.02 -0.01 0.04 0.02 -0.02 0.04 0.04 0.03 0.02 -0.03 -0.01 -0.00 0.01 0.03 -0.12 -0.00 0.02 0.01 0.01 0.01 -0.00 0.01 0.02 -0.01 0.02 0.01 -0.00 0.01 0.01 0.00 0.01 0.00 -0.01 -0.02 0.04 0.01 0.01 0.00 -0.01 0.02 0.00 -0.00 0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 0.01 0.00 -0.02 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.03 0.02 0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.02 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.08 0.52 -0.43 0.02 -0.11 0.07 0.00 0.17 -0.19 0.02 -0.46 0.41 0.08 -0.09 0.06 -0.04 -0.06 0.06 -0.02 0.01 -0.02 0.04 0.02 -0.07 0.05 -0.02 0.02 -0.00 0.02 0.00 0.00 -0.02 0.01 0.02 -0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.02 -0.01 -0.01 -0.01 -0.02 -0.04 0.08 -0.08 -0.04 0.07 -0.09 -0.06 0.12 -0.11 -0.05 0.10 -0.12 -0.01 0.04 -0.02 -0.00 0.02 -0.03 0.01 -0.00 0.01 -0.01 0.04 0.01 0.00 0.07 0.09 -0.01 0.03 -0.05 0.01 0.09 0.12 0.01 0.09 0.12 -0.00 0.05 -0.01 -0.00 0.01 -0.10 0.00 0.08 0.07 0.01 0.12 0.18 -0.01 0.03 -0.05 0.01 0.09 0.09 0.01 -0.00 -0.02 -0.01 0.05 0.00 0.04 -0.08 -0.03 -0.00 0.02 0.01 -0.04 0.10 0.01 0.05 -0.10 -0.02 0.05 -0.12 -0.05 0.03 -0.05 0.00 -0.02 0.06 0.03 0.07 -0.16 -0.03 0.04 -0.07 0.01 0.03 -0.06 0.07 0.04 -0.10 0.10 0.03 -0.07 0.08 0.05 0.04 0.17 0.15 0.08 0.09 -0.03 -0.02 0.15 -0.13 -0.06 0.24 0.04 0.08 0.27 0.00 -0.05 -0.01 -0.10 -0.12 0.00 0.11 -0.01 -0.14 -0.08 -0.15 -0.15 -0.09 -0.19 -0.28 0.04 -0.08 -0.17 -0.17 -0.20 -0.13 0.03 -0.11 0.11 0.03 -0.11 0.11 0.04 -0.13 0.13 0.04 -0.13 0.13 0.02 -0.07 0.07 0.02 -0.07 0.07 0.01 -0.05 0.05 -0.01 -0.01 0.00 -0.09 0.01 0.01 0.05 0.02 -0.07 -0.12 0.08 -0.07 -0.13 -0.01 0.07 0.02 0.09 -0.15 0.11 0.00 -0.07 -0.06 0.11 -0.15 -0.18 0.09 -0.06 0.06 0.11 -0.21 -0.08 0.16 -0.21 -0.00 -0.01 0.01 -0.06 -0.04 -0.05 0.02 0.09 -0.00 -0.09 0.04 -0.11 -0.08 -0.12 -0.04 -0.01 0.17 -0.07 0.06 0.12 0.04 -0.07 0.14 -0.13 -0.13 0.01 -0.16 0.01 0.26 -0.08 -0.09 0.20 -0.18 0.00 -0.04 0.04 -0.01 -0.05 0.06 -0.01 -0.03 0.02 0.07 0.00 0.08 0.10 0.03 0.04 0.04 -0.03 0.09 0.01 -0.06 0.14 0.06 0.00 0.12 0.05 -0.03 0.04 0.01 -0.08 0.09 0.09 0.01 -0.04 0.02 -0.09 0.05 0.02 -0.12 -0.02 0.05 -0.03 0.05 -0.01 -0.13 0.10 0.02 -0.00 0.02 0.03 -0.01 0.02 0.03 -0.02 0.04 0.03 -0.04 0.05 0.01 0.03 -0.02 0.02 0.02 -0.01 0.01 0.05 -0.04 0.01 0.05 -0.02 0.01 0.08 0.06 0.01 0.03 -0.09 0.00 0.10 0.07 0.01 0.09 0.12 0.01 0.05 -0.09 0.02 0.01 -0.14 0.01 0.08 -0.01 0.00 0.12 0.13 0.01 0.04 -0.14 0.00 0.10 -0.00 0.03 -0.01 0.00 0.12 -0.10 -0.00 -0.03 0.05 0.03 0.14 -0.14 0.01 0.17 -0.14 -0.02 -0.01 0.00 0.04 -0.09 0.12 0.03 0.08 -0.09 0.03 0.21 -0.22 0.01 -0.06 0.04 0.06 0.10 -0.13 0.05 -0.01 0.08 -0.08 -0.02 0.12 -0.10 -0.01 0.08 -0.08 -0.05 0.03 -0.12 -0.07 0.02 -0.10 -0.05 0.02 -0.09 -0.04 0.02 -0.10 -0.05 0.05 -0.16 -0.07 -0.02 -0.01 -0.08 -0.09 0.09 -0.07 -0.00 -0.03 -0.10 -0.15 0.20 -0.02 -0.20 0.19 -0.18 -0.11 0.22 -0.11 -0.20 0.27 0.04 -0.08 0.06 0.04 -0.08 0.05 0.04 -0.10 0.08 0.04 -0.10 0.06 0.03 -0.03 0.01 0.02 -0.04 -0.00 0.02 -0.01 -0.02 0.02 0.00 0.00 -0.02 0.02 0.01 0.05 0.03 -0.01 -0.03 0.06 0.01 -0.05 -0.01 0.02 0.04 0.07 -0.01 0.07 0.02 -0.01 -0.00 0.09 0.00 -0.06 0.07 0.01 0.06 0.10 -0.02 -0.01 0.12 -0.00 0.02 -0.02 0.01 -0.10 0.16 0.05 0.11 -0.18 -0.03 -0.12 0.19 0.07 -0.17 0.28 0.08 0.09 -0.17 -0.01 0.18 -0.32 -0.06 -0.02 0.02 0.04 -0.20 0.33 0.11 0.16 -0.29 -0.03 -0.04 0.04 0.05 0.05 0.04 -0.06 0.08 0.04 -0.11 0.06 0.06 -0.02 -0.03 -0.00 -0.11 -0.06 -0.03 -0.07 -0.02 0.01 -0.10 0.01 0.03 -0.13 -0.03 0.01 -0.15 -0.03 -0.01 -0.04 -0.01 -0.01 -0.01 -0.06 -0.01 -0.01 -0.03 -0.03 0.07 0.01 -0.03 0.11 -0.09 -0.05 0.08 -0.01 -0.03 0.08 -0.04 0.03 -0.10 -0.04 0.03 -0.08 -0.04 0.05 -0.12 -0.04 0.04 -0.08 -0.04 0.01 -0.07 -0.03 -0.01 -0.04 -0.03 -0.02 -0.04 -0.03 -0.01 -0.04 0.02 0.04 0.11 -0.06 -0.06 -0.12 0.03 0.03 0.18 0.05 0.08 0.17 -0.04 -0.06 -0.06 -0.08 -0.08 -0.21 0.00 -0.02 0.09 0.07 0.07 0.29 -0.07 -0.10 -0.11 0.02 -0.02 0.14 -0.05 0.00 -0.01 -0.04 0.04 0.02 -0.09 0.01 0.01 -0.08 0.09 0.07 -0.00 0.03 0.01 -0.13 0.06 0.06 -0.09 -0.02 -0.01 -0.13 0.11 0.09 -0.08 0.12 0.09 -0.17 0.07 0.07 -0.17 0.15 0.13 -0.05 -0.03 -0.04 -0.07 -0.04 -0.01 -0.07 -0.00 -0.09 0.09 -0.06 -0.09 0.06 -0.06 -0.07 0.13 -0.03 -0.08 0.17 -0.04 -0.09 0.10 -0.10 -0.10 0.12 -0.02 -0.03 0.15 -0.04 0.04 0.10 -0.00 -0.03 0.13 -0.06 0.12 0.17 -0.08 0.12 0.06 -0.02 0.14 0.15 -0.08 0.18 0.04 -0.01 -0.04 0.03 0.00 -0.04 0.04 -0.00 -0.06 0.03 0.02 -0.06 0.04 -0.05 -0.01 0.03 -0.03 -0.01 0.04 -0.06 0.01 0.04 -0.03 -0.03 0.03 0.04 0.14 0.04 -0.06 -0.18 0.02 0.08 0.14 0.02 0.07 0.26 0.03 -0.02 -0.19 0.05 -0.10 -0.27 0.02 0.04 -0.03 0.01 0.14 0.27 0.04 -0.04 -0.30 0.02 0.07 -0.03 0.02 -0.02 -0.01 0.02 -0.01 -0.01 0.02 -0.01 -0.01 0.01 0.00 -0.00 0.02 -0.02 -0.01 0.01 0.01 -0.00 0.02 -0.01 -0.01 0.01 0.01 -0.00 0.01 0.01 -0.00 0.01 0.02 -0.00 -0.00 0.03 -0.00 0.01 -0.10 0.04 -0.01 -0.08 0.04 0.01 -0.16 0.04 -0.11 -0.09 0.05 -0.12 -0.08 0.05 -0.08 -0.07 0.07 -0.05 -0.08 0.05 -0.11 -0.09 0.03 -0.09 -0.00 0.07 -0.01 0.09 -0.00 -0.14 0.00 0.11 0.00 0.22 -0.06 -0.10 0.29 -0.04 0.06 0.20 -0.07 0.07 0.28 -0.11 0.04 -0.05 -0.08 0.04 -0.05 -0.06 0.04 -0.04 -0.09 0.04 -0.05 -0.06 0.03 -0.06 -0.08 0.04 -0.06 -0.05 0.03 -0.07 -0.06 0.03 -0.02 -0.06 -0.02 -0.03 -0.12 0.08 0.07 0.08 -0.02 0.06 -0.01 -0.06 -0.10 -0.23 0.09 0.16 0.20 0.12 0.06 0.10 0.04 0.16 0.16 -0.06 0.06 -0.05 0.14 0.24 0.32 0.04 0.24 0.26 0.02 -0.05 -0.02 0.06 -0.06 -0.01 -0.06 0.02 0.01 0.01 0.01 0.05 0.13 -0.12 -0.03 -0.12 0.10 0.06 -0.09 0.03 -0.01 -0.09 0.09 0.08 0.04 -0.00 0.06 -0.19 0.16 0.09 -0.14 0.16 0.12 0.03 -0.09 -0.04 0.02 -0.07 -0.04 0.04 -0.11 -0.02 -0.04 -0.06 -0.00 -0.03 -0.03 -0.03 -0.05 -0.08 0.03 -0.05 -0.11 0.06 -0.04 -0.06 0.00 -0.04 -0.03 -0.00 -0.03 -0.03 0.02 -0.05 0.01 -0.04 -0.01 0.03 -0.04 -0.07 0.04 -0.09 0.04 0.08 -0.04 0.00 0.03 -0.02 0.05 -0.16 0.05 0.06 -0.17 0.07 0.08 -0.22 0.11 0.09 -0.24 0.15 -0.00 -0.04 -0.08 0.00 -0.06 -0.04 -0.02 0.01 -0.12 0.01 -0.04 -0.06 0.05 -0.03 0.02 -0.01 -0.07 -0.07 0.06 -0.04 0.08 0.07 -0.00 0.03 0.00 -0.08 -0.00 -0.03 -0.08 -0.11 0.04 -0.06 0.08 0.10 -0.02 0.15 -0.02 -0.10 -0.00 0.05 -0.06 0.13 -0.01 -0.05 -0.03 -0.00 -0.04 -0.02 -0.04 -0.05 -0.02 -0.02 -0.01 0.01 0.02 -0.05 -0.02 -0.06 -0.02 0.01 -0.05 -0.06 -0.03 -0.05 -0.00 0.02 -0.01 0.00 0.03 -0.08 -0.02 0.02 -0.07 0.02 0.05 -0.03 0.04 -0.15 -0.03 -0.02 -0.10 -0.04 0.07 -0.19 0.05 0.26 0.06 0.10 0.32 -0.01 -0.01 0.19 0.11 -0.07 0.15 0.18 0.04 0.28 0.11 0.00 0.13 0.05 -0.08 0.08 0.04 0.08 0.12 0.00 -0.07 0.03 -0.04 -0.05 -0.02 -0.12 -0.00 0.07 -0.05 -0.14 -0.02 -0.02 -0.01 0.00 -0.02 -0.01 0.00 -0.03 -0.01 0.01 -0.02 -0.01 0.00 -0.04 -0.00 -0.00 -0.02 -0.00 -0.00 -0.03 0.00 -0.00 -0.02 -0.00 0.01 -0.02 -0.03 0.02 -0.01 0.01 0.02 -0.02 -0.03 0.05 -0.00 -0.04 0.00 -0.00 0.01 0.05 -0.02 0.03 0.02 -0.02 -0.01 0.06 -0.01 -0.05 0.06 0.00 0.03 0.07 -0.02 -0.02 0.09 -0.00 -0.00 -0.01 -0.02 0.01 -0.01 -0.01 -0.02 -0.00 -0.01 0.01 -0.00 0.01 0.03 -0.02 -0.02 -0.03 0.01 0.01 -0.03 -0.00 -0.02 -0.02 0.01 0.02 0.02 -0.00 0.02 -0.05 0.02 0.02 -0.03 0.02 0.03 0.01 -0.00 -0.01 0.02 -0.02 0.00 0.01 0.01 -0.02 0.05 0.07 0.04 0.06 0.02 0.08 0.04 0.08 -0.00 0.03 0.16 -0.08 0.05 0.10 0.02 0.02 -0.03 0.06 -0.01 0.06 -0.13 0.03 -0.20 0.25 -0.03 -0.12 -0.04 0.06 0.01 0.40 -0.13 -0.61 -0.06 -0.04 0.09 -0.39 0.00 0.10 -0.10 0.06 -0.05 0.11 0.00 0.17 -0.19 0.10 -0.11 0.20 -0.04 0.12 -0.16 0.04 -0.12 0.18 -0.02 -0.01 0.02 -0.04 0.08 -0.15 0.05 0.07 -0.12 -0.09 0.04 -0.09 0.09 0.02 0.01 0.10 0.10 -0.17 -0.06 -0.01 0.04 -0.16 0.05 -0.12 0.04 -0.01 0.10 0.16 0.02 0.05 -0.10 -0.04 0.10 0.07 -0.04 0.22 0.03 -0.08 0.14 -0.07 -0.09 0.07 0.12 -0.01 0.10 -0.08 -0.03 -0.05 -0.15 -0.14 0.10 0.12 0.04 -0.02 0.20 0.00 0.16 0.01 0.03 -0.09 -0.17 -0.04 -0.11 0.19 0.09 -0.05 0.01 0.07 -0.18 -0.04 -0.03 0.02 -0.04 -0.09 0.09 -0.07 0.01 -0.05 -0.02 -0.03 0.01 -0.02 -0.05 0.03 -0.01 -0.00 -0.02 -0.01 0.02 -0.04 -0.02 -0.02 0.01 -0.02 -0.00 -0.01 -0.01 0.01 -0.03 -0.03 -0.01 0.00 -0.02 -0.02 0.02 0.00 0.03 0.16 -0.07 -0.15 0.02 0.00 0.04 -0.06 -0.11 0.05 -0.01 -0.07 -0.07 -0.05 -0.21 0.11 -0.01 -0.12 -0.14 -0.09 -0.01 0.09 0.03 0.06 -0.11 -0.02 0.09 0.01 0.01 -0.01 0.11 0.09 0.04 0.08 0.06 -0.04 0.06 0.07 0.04 -0.01 -0.04 0.07 0.13 0.08 -0.05 -0.03 -0.03 -0.08 0.09 0.10 -0.01 -0.08 -0.11 0.08 -0.04 -0.08 -0.09 -0.08 -0.07 -0.01 -0.16 -0.21 0.09 -0.15 -0.04 0.08 -0.12 -0.03 0.05 -0.11 -0.02 -0.02 0.02 0.02 0.12 -0.17 -0.04 -0.05 0.04 0.02 0.07 -0.15 -0.04 -0.10 0.13 0.05 -0.04 0.07 0.04 -0.11 0.10 0.04 -0.20 0.27 0.09 0.18 0.06 0.00 0.22 0.07 -0.06 0.20 0.08 0.06 -0.00 0.03 -0.02 -0.01 0.00 0.00 -0.02 0.01 -0.01 -0.01 0.03 -0.03 -0.00 0.06 -0.07 -0.02 -0.01 0.02 -0.03 -0.01 0.01 -0.03 -0.02 0.03 -0.02 0.01 -0.04 -0.03 -0.06 -0.23 0.03 0.21 -0.03 -0.05 -0.08 0.10 -0.01 0.00 -0.01 -0.01 0.00 -0.03 -0.03 0.02 -0.01 -0.03 0.01 -0.05 0.01 -0.01 0.02 0.01 -0.02 -0.01 0.02 -0.02 0.02 0.01 -0.01 0.03 0.01 -0.01 0.02 0.01 -0.01 0.02 0.01 -0.02 -0.00 0.01 -0.00 0.03 0.01 -0.01 -0.01 0.02 -0.01 0.02 0.01 -0.02 -0.02 0.00 -0.02 -0.01 0.01 -0.02 -0.02 0.00 -0.03 -0.04 0.01 -0.02 -0.01 0.01 -0.02 -0.01 0.00 -0.02 -0.01 -0.00 -0.00 0.00 0.02 -0.03 -0.01 -0.01 0.00 0.00 0.00 -0.02 -0.01 -0.02 0.02 0.01 -0.00 0.01 0.01 -0.02 0.01 0.01 -0.03 0.04 0.02 0.02 -0.02 0.02 0.03 -0.03 0.03 0.03 -0.05 0.04 -0.02 -0.02 0.06 0.00 -0.01 0.04 -0.02 0.01 0.01 -0.03 -0.00 0.03 -0.02 -0.03 0.09 -0.01 0.05 -0.06 -0.01 0.04 -0.03 0.00 0.10 -0.11 -0.03 -0.02 0.09 -0.01 0.19 0.61 -0.15 -0.56 0.07 0.06 0.26 -0.31 0.00 -0.02 0.04 0.00 -0.03 0.04 0.01 -0.04 0.07 0.01 -0.06 0.07 -0.02 0.04 -0.01 -0.00 0.02 -0.01 -0.01 0.05 -0.03 -0.01 0.03 -0.01 0.00 0.03 -0.01 -0.03 0.02 -0.00 0.01 0.00 -0.01 0.01 0.04 -0.01 -0.03 -0.01 0.00 -0.05 0.02 -0.01 -0.01 -0.01 0.00 0.03 -0.00 -0.01 -0.04 -0.02 0.01 -0.00 -0.03 0.00 -0.00 0.02 -0.01 0.00 0.02 -0.00 -0.00 0.01 -0.01 0.01 0.01 0.01 0.01 0.03 -0.00 0.00 -0.01 0.00 -0.01 0.01 -0.01 0.01 -0.00 0.01 0.01 0.01 0.01 0.00 -0.02 0.00 0.01 -0.01 0.01 0.00 0.04 -0.03 0.01 0.07 -0.07 0.00 0.07 -0.04 0.01 0.02 -0.10 0.00 0.06 -0.12 0.00 -0.07 0.04 0.00 -0.13 0.10 0.02 0.03 -0.11 -0.00 -0.08 0.06 0.00 -0.12 0.14 0.00 -0.02 -0.01 0.05 0.07 -0.09 -0.19 0.33 0.22 0.23 -0.35 -0.16 0.15 0.36 -0.51 -0.02 0.11 -0.13 -0.03 0.13 -0.12 -0.04 0.20 -0.24 -0.05 0.24 -0.20 0.04 -0.09 0.06 0.01 -0.06 0.08 0.01 -0.09 0.07 0.03 -0.10 0.04 -0.02 -0.09 0.04 0.09 -0.06 0.02 -0.05 -0.02 0.01 -0.07 -0.13 0.05 0.07 0.01 -0.01 0.15 -0.08 0.02 0.00 0.03 -0.01 -0.11 -0.00 0.01 0.12 0.05 -0.03 -0.01 0.08 -0.03 -0.00 -0.06 0.09 -0.05 -0.07 0.05 0.04 -0.02 0.07 -0.06 -0.04 -0.02 -0.10 -0.10 0.07 0.03 0.02 0.01 0.07 -0.00 0.11 -0.02 0.00 -0.04 -0.11 -0.05 -0.05 0.07 0.06 -0.01 -0.03 0.03 -0.08 -0.03 0.10 -0.11 -0.02 0.10 -0.12 -0.04 0.16 -0.13 -0.02 0.06 -0.08 -0.11 0.02 -0.01 0.04 0.13 -0.10 0.10 0.19 -0.19 -0.01 0.07 -0.21 0.01 0.06 0.04 -0.06 -0.04 0.14 0.04 0.05 0.02 -0.02 0.00 -0.09 -0.13 0.06 -0.09 0.16 -0.09 -0.13 -0.07 0.06 -0.22 -0.01 0.04 -0.03 -0.01 0.04 -0.03 -0.02 0.06 -0.06 -0.02 0.06 -0.05 0.00 -0.01 0.01 -0.00 -0.01 0.02 -0.00 0.00 0.01 0.01 -0.03 0.02 -0.01 -0.03 0.01 0.03 -0.02 0.01 -0.02 -0.01 -0.00 -0.02 -0.04 0.01 0.02 0.00 -0.00 0.05 -0.03 -0.01 0.00 0.01 -0.00 -0.04 -0.00 -0.01 0.04 0.02 -0.01 -0.00 0.02 -0.01 -0.01 -0.01 0.03 -0.02 -0.02 0.02 0.00 -0.00 0.02 -0.02 -0.02 -0.01 -0.04 -0.03 0.02 0.00 0.00 0.00 0.01 0.00 0.03 -0.01 -0.01 -0.01 -0.04 -0.02 -0.02 0.02 0.01 -0.00 -0.01 -0.00 -0.03 0.00 0.07 -0.06 0.01 0.03 -0.02 -0.01 0.13 -0.10 0.17 0.16 0.04 0.44 0.18 -0.11 -0.07 -0.05 0.02 -0.25 -0.09 0.16 0.13 0.33 0.25 -0.05 -0.11 -0.07 0.03 -0.05 -0.07 -0.07 -0.10 -0.05 0.02 0.13 0.11 -0.05 0.19 0.14 -0.12 0.22 0.14 0.21 0.16 0.20 0.00 0.00 -0.01 -0.00 0.03 -0.03 0.03 -0.00 -0.03 -0.03 0.03 -0.06 -0.03 -0.05 0.02 0.04 0.02 -0.01 0.00 -0.01 -0.02 -0.10 -0.09 -0.04 -0.18 -0.09 -0.05 -0.14 -0.11 -0.06 -0.19 -0.03 0.04 -0.23 -0.14 -0.07 -0.15 -0.06 0.01 -0.15 -0.12 -0.08 -0.19 -0.01 0.12 -0.18 -0.02 0.07 -0.12 -0.03 0.02 -0.18 0.05 0.22 0.13 -0.01 -0.01 0.20 -0.00 0.01 0.19 -0.01 -0.03 0.15 0.09 0.04 0.26 -0.01 -0.01 0.15 0.07 0.01 0.24 -0.03 -0.01 0.12 0.17 0.05 0.12 0.12 0.04 0.12 0.07 0.02 0.05 0.28 0.08 -0.00 0.03 -0.07 0.01 0.03 -0.08 -0.00 0.04 -0.07 -0.01 0.01 -0.01 -0.01 0.06 -0.05 -0.01 -0.02 0.04 -0.01 -0.06 0.09 -0.00 0.00 -0.01 0.00 0.01 0.01 0.00 0.03 -0.02 0.01 0.01 -0.01 -0.01 -0.01 0.01 0.03 -0.03 0.01 -0.03 -0.01 0.01 -0.02 -0.02 0.02 -0.00 0.02 -0.04 0.00 0.02 -0.02 -0.00 0.04 -0.06 -0.00 0.03 -0.02 -0.00 -0.01 -0.01 0.01 -0.02 0.02 -0.01 0.01 -0.02 0.01 -0.00 0.03 0.01 0.01 0.05 0.02 0.01 0.05 0.00 0.00 0.01 0.01 0.01 0.07 0.02 0.01 0.01 0.04 0.01 0.07 0.00 -0.01 -0.04 -0.01 0.00 -0.00 0.02 0.01 -0.01 -0.01 -0.02 -0.10 -0.01 -0.01 0.04 -0.03 -0.01 0.03 0.00 0.01 0.04 -0.03 -0.01 -0.00 -0.06 -0.01 0.04 0.01 0.01 0.00 0.01 0.03 0.05 0.00 -0.01 -0.02 -0.05 -0.01 -0.02 0.04 0.01 -0.00 0.02 -0.03 -0.04 -0.02 0.04 -0.09 -0.03 0.14 -0.17 -0.02 0.08 -0.08 -0.05 0.02 -0.17 -0.11 0.24 -0.33 -0.02 -0.17 0.21 0.00 -0.43 0.47 -0.05 -0.07 -0.16 0.01 0.01 0.06 0.03 0.10 -0.09 0.02 0.05 0.01 0.00 -0.09 -0.01 0.17 -0.17 0.01 -0.08 -0.10 0.01 -0.09 -0.15 0.04 0.00 -0.03 -0.14 0.05 -0.12 -0.04 0.01 0.00 -0.19 0.05 -0.15 -0.02 -0.02 -0.02 -0.13 0.07 -0.13 -0.01 0.04 -0.10 -0.10 -0.02 0.03 0.05 -0.03 0.07 0.16 -0.04 0.05 0.17 -0.06 0.01 0.03 -0.04 0.08 0.23 -0.06 0.00 0.06 -0.06 0.08 0.23 -0.09 -0.06 -0.13 -0.04 0.00 0.01 -0.06 0.01 0.06 -0.12 -0.14 -0.33 -0.00 0.04 0.02 -0.03 0.14 0.06 -0.03 0.16 0.04 0.03 0.05 0.04 -0.05 0.20 0.07 0.04 0.07 0.02 -0.04 0.22 0.07 0.14 -0.07 -0.00 0.03 0.04 0.02 0.03 0.06 0.02 0.25 -0.23 -0.04 0.01 -0.12 -0.10 -0.01 -0.17 -0.02 0.00 -0.12 -0.14 0.02 0.00 0.04 0.05 -0.04 0.06 0.00 0.04 -0.05 -0.00 0.11 -0.11 0.02 0.04 0.05 -0.00 0.00 -0.02 -0.01 -0.02 0.02 -0.01 -0.01 -0.00 -0.01 0.02 0.00 -0.04 0.04 -0.00 0.01 0.02 -0.00 0.01 0.03 -0.00 -0.02 0.01 0.01 -0.00 -0.03 -0.02 -0.06 0.04 -0.01 -0.03 -0.04 -0.06 0.01 -0.01 0.05 0.04 -0.07 0.01 0.07 -0.04 0.04 -0.02 -0.01 -0.04 -0.04 -0.03 -0.10 -0.04 -0.04 -0.10 -0.02 -0.01 0.00 -0.04 -0.05 -0.15 -0.04 -0.04 -0.04 -0.06 -0.05 -0.13 -0.02 0.01 0.09 -0.00 -0.01 0.03 -0.04 -0.04 -0.05 -0.00 0.05 0.22 -0.03 0.03 0.01 -0.09 0.09 0.02 -0.09 0.10 0.03 -0.02 -0.01 0.01 -0.12 0.14 0.03 -0.06 0.04 0.02 -0.12 0.14 0.03 0.03 -0.10 -0.01 0.01 -0.03 0.01 -0.07 0.05 0.03 0.12 -0.24 -0.04 0.32 0.08 0.02 0.45 0.10 -0.20 0.39 0.17 0.24 0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 -0.02 0.02 0.01 -0.01 0.01 0.01 0.05 -0.07 -0.00 0.01 0.01 -0.00 0.02 -0.01 -0.01 0.02 -0.00 -0.00 -0.01 -0.00 0.02 -0.03 -0.00 -0.01 -0.02 -0.00 -0.03 -0.02 -0.00 0.01 0.00 -0.01 0.01 0.01 0.00 0.02 -0.01 -0.01 0.02 0.00 0.01 -0.00 0.01 -0.02 -0.00 0.01 -0.01 -0.01 0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.01 0.01 0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 0.00 -0.01 -0.01 0.01 0.01 0.00 0.01 -0.01 -0.01 -0.00 -0.02 -0.00 -0.00 0.01 -0.01 -0.01 0.01 0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.02 -0.02 0.01 0.00 0.00 0.00 0.01 -0.00 0.02 -0.01 0.00 -0.01 -0.01 -0.02 -0.01 0.01 0.01 -0.00 -0.01 0.01 -0.01 0.04 0.01 -0.01 0.07 0.07 -0.11 0.07 -0.01 0.10 -0.18 -0.02 -0.03 -0.45 0.01 0.07 0.00 0.07 0.08 0.08 0.08 0.02 -0.14 -0.18 -0.24 0.03 -0.03 0.00 -0.07 -0.05 -0.07 0.29 -0.15 -0.06 -0.09 0.17 0.11 -0.20 0.26 0.16 -0.23 0.29 0.15 0.15 0.22 0.20 0.14 -0.02 -0.03 0.10 0.08 0.03 0.26 -0.10 -0.02 0.18 0.11 0.13 -0.01 0.02 -0.14 -0.05 0.14 -0.05 -0.07 0.08 -0.12 0.01 -0.06 -0.03 -0.04 -0.02 0.07 0.00 -0.03 0.08 -0.06 0.01 0.05 -0.07 -0.04 0.13 -0.02 -0.01 0.02 0.02 -0.02 0.12 -0.07 -0.02 -0.07 -0.07 0.03 0.09 0.02 0.03 0.02 -0.09 -0.04 -0.17 -0.03 0.02 0.08 -0.03 -0.08 0.03 0.03 -0.08 0.06 -0.03 -0.08 -0.04 -0.08 -0.14 0.05 -0.00 -0.01 0.01 0.08 -0.11 0.07 -0.09 0.04 -0.02 -0.03 -0.14 -0.07 0.05 0.03 -0.01 -0.14 0.13 -0.04 0.18 0.01 0.05 0.39 -0.08 -0.16 0.28 0.09 0.35 0.01 -0.02 0.03 0.03 -0.05 0.05 -0.00 -0.00 -0.02 -0.01 0.03 -0.05 0.01 0.01 0.03 -0.00 0.00 -0.01 0.02 0.00 0.01 -0.04 0.02 0.00 0.02 -0.02 -0.01 0.03 -0.03 -0.02 0.04 -0.04 -0.02 -0.01 -0.03 -0.03 0.14 0.16 -0.08 0.18 0.02 0.14 0.17 0.24 -0.22 0.25 0.02 0.24 0.07 0.05 -0.03 0.10 -0.06 0.17 0.08 -0.03 0.12 0.03 -0.02 -0.02 -0.06 -0.00 0.01 -0.02 -0.04 0.06 -0.07 0.02 0.04 -0.10 -0.05 0.03 -0.05 -0.03 0.02 -0.05 -0.02 0.10 -0.11 -0.02 -0.01 -0.05 0.03 0.07 -0.01 0.00 -0.00 -0.11 -0.03 -0.05 0.02 0.07 -0.13 0.03 0.02 -0.18 -0.09 -0.03 -0.13 0.00 0.01 -0.03 0.11 -0.02 -0.21 -0.11 -0.11 -0.01 -0.18 -0.13 -0.25 -0.11 -0.06 0.03 0.11 0.05 0.06 -0.12 -0.20 -0.00 -0.12 -0.07 0.10 -0.03 0.06 0.02 -0.11 0.07 0.13 -0.09 0.09 -0.16 0.00 0.01 -0.02 -0.01 -0.00 -0.01 -0.00 -0.01 0.01 0.01 -0.02 0.02 0.00 0.02 -0.04 -0.00 -0.00 0.01 -0.01 0.01 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.01 -0.02 0.01 0.00 -0.01 0.00 0.01 0.16 -0.10 0.08 0.08 0.14 -0.13 0.23 -0.18 0.11 0.06 0.30 -0.24 0.12 -0.16 0.13 0.05 0.04 -0.04 0.09 -0.11 0.06 -0.02 0.15 -0.06 -0.02 0.19 -0.01 -0.13 0.10 -0.06 0.02 0.01 -0.05 0.05 0.28 0.07 -0.11 -0.02 0.09 -0.29 0.15 -0.05 -0.06 -0.07 0.03 0.16 -0.04 -0.08 -0.17 -0.05 0.20 -0.04 -0.14 0.05 0.01 0.00 0.04 -0.04 -0.02 0.01 -0.00 -0.05 0.05 -0.04 -0.05 -0.03 -0.11 -0.03 0.04 -0.02 -0.01 0.01 0.01 -0.08 0.04 -0.06 -0.02 -0.03 -0.03 -0.07 -0.04 0.01 0.04 -0.00 -0.07 0.01 -0.04 -0.02 -0.03 -0.08 -0.11 0.07 -0.06 -0.04 -0.12 -0.13 0.02 0.02 -0.01 0.04 0.03 -0.03 0.00 0.00 0.00 -0.01 -0.01 0.02 0.01 0.03 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.00 -0.01 0.01 0.00 -0.02 0.01 0.01 -0.02 0.01 0.00 0.00 0.01 0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.02 -0.02 0.03 -0.02 -0.00 -0.01 0.02 -0.01 0.01 -0.00 0.00 -0.01 0.02 -0.01 -0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.02 0.01 -0.01 -0.02 -0.00 -0.01 -0.01 0.00 0.00 0.04 0.01 0.01 0.01 0.01 -0.02 -0.03 0.01 0.00 -0.00 -0.01 -0.01 -0.03 0.01 0.02 0.03 0.00 0.01 -0.00 0.01 0.00 -0.02 -0.10 0.18 0.02 0.12 -0.17 -0.06 0.12 -0.16 -0.04 -0.22 0.38 0.07 -0.11 0.16 0.04 0.24 -0.38 -0.11 0.00 0.00 0.01 0.26 -0.35 -0.07 -0.25 0.36 0.08 0.01 -0.00 0.01 -0.03 0.00 0.00 -0.02 -0.03 0.03 -0.04 0.02 -0.04 -0.00 0.00 -0.01 -0.00 0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.02 0.01 -0.00 0.01 -0.02 0.02 -0.03 0.01 -0.01 0.04 -0.05 0.01 -0.03 0.02 0.00 0.00 -0.01 0.01 -0.02 0.00 -0.00 0.03 -0.00 -0.02 -0.04 -0.20 0.01 0.10 0.20 0.04 0.08 0.18 -0.04 -0.12 -0.43 -0.03 -0.07 -0.18 0.01 0.18 0.40 -0.00 -0.01 0.00 0.09 0.15 0.41 -0.08 -0.17 -0.42 0.00 -0.02 0.01 0.00 -0.00 0.01 -0.01 0.01 0.01 0.01 -0.02 0.01 0.01 -0.02 -0.01 -0.03 0.03 0.02 -0.01 0.02 0.00 0.03 -0.03 0.01 -0.00 0.00 -0.00 0.01 -0.04 -0.01 -0.01 0.04 0.01 -0.00 0.01 -0.01 -0.03 -0.02 -0.02 -0.05 -0.00 -0.00 -0.03 -0.03 -0.02 0.01 0.00 -0.00 0.02 0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.03 0.05 0.04 0.05 -0.02 -0.05 -0.03 0.03 0.11 0.02 -0.11 -0.06 0.06 0.13 0.01 0.10 0.04 -0.11 0.13 0.16 -0.10 0.07 0.01 0.12 -0.03 -0.03 -0.00 -0.00 -0.09 0.01 -0.07 0.00 -0.05 -0.12 -0.14 -0.08 -0.02 -0.04 -0.04 -0.02 -0.12 -0.07 -0.08 0.03 0.09 -0.08 -0.04 -0.15 0.02 -0.02 -0.16 -0.07 0.07 0.15 0.11 -0.10 0.04 -0.05 -0.01 0.03 -0.02 -0.03 0.09 -0.08 0.02 -0.04 -0.21 0.04 0.10 -0.05 0.03 0.03 -0.09 0.07 0.11 -0.02 -0.11 -0.06 -0.15 0.11 -0.02 -0.05 0.20 0.02 0.01 -0.15 -0.09 -0.05 -0.04 0.01 -0.30 0.05 0.28 -0.14 -0.31 -0.25 -0.06 0.02 0.02 -0.11 0.01 0.06 -0.02 0.03 0.01 -0.05 0.06 -0.01 -0.05 -0.03 -0.00 -0.00 -0.01 -0.01 0.04 -0.01 0.00 -0.01 -0.01 -0.01 0.05 -0.02 -0.00 0.06 -0.03 -0.01 0.06 -0.03 -0.01 0.04 -0.02 -0.01 -0.00 -0.01 -0.01 -0.01 0.00 0.01 0.00 0.01 -0.04 -0.00 0.03 -0.00 -0.01 -0.04 0.01 -0.01 -0.02 0.03 -0.02 -0.03 0.03 -0.01 0.00 -0.03 0.01 0.01 -0.00 -0.00 0.02 0.00 0.02 0.00 0.01 0.02 0.03 0.01 0.00 0.01 0.01 -0.01 0.03 0.02 0.01 -0.01 -0.02 0.02 0.01 0.04 -0.01 0.00 0.03 0.01 -0.02 -0.03 -0.02 0.01 -0.01 0.01 0.01 -0.01 0.01 0.00 -0.02 0.02 -0.00 0.01 0.04 -0.00 -0.02 0.01 -0.00 -0.00 0.01 -0.01 -0.03 0.01 0.02 0.01 0.03 -0.02 0.01 0.00 -0.03 -0.00 0.00 0.02 0.02 -0.01 0.03 -0.04 0.03 0.13 -0.20 0.03 0.05 0.07 -0.22 0.13 0.09 -0.46 0.08 0.25 -0.12 0.13 0.09 -0.25 0.30 -0.03 -0.19 0.03 -0.11 -0.02 -0.08 -0.04 0.17 -0.05 -0.01 -0.07 -0.04 -0.06 0.23 -0.08 -0.01 0.27 -0.11 -0.02 0.25 -0.11 -0.02 0.17 -0.10 -0.03 -0.02 0.02 -0.05 0.02 -0.05 0.01 -0.03 0.05 -0.08 0.02 -0.08 0.03 0.01 -0.00 -0.00 0.01 -0.02 -0.00 0.03 -0.04 -0.05 0.03 0.07 0.19 0.01 0.02 0.02 -0.01 0.00 0.01 -0.01 -0.02 -0.09 -0.02 -0.06 -0.17 -0.02 -0.03 -0.09 -0.03 -0.05 -0.14 0.01 0.04 0.13 -0.03 -0.11 -0.33 -0.05 -0.11 -0.30 0.02 0.06 0.19 -0.12 0.19 0.05 -0.03 0.01 0.01 -0.00 0.02 0.01 0.05 -0.10 -0.01 0.10 -0.18 -0.04 0.06 -0.08 -0.00 0.12 -0.16 -0.03 -0.08 0.12 0.03 0.20 -0.33 -0.07 0.22 -0.31 -0.06 -0.11 0.17 0.02 0.02 -0.08 -0.07 0.01 -0.10 -0.04 0.03 -0.13 -0.07 -0.00 0.00 -0.00 -0.01 0.02 -0.01 -0.00 0.01 0.00 -0.00 0.01 -0.01 -0.00 0.03 -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 0.03 0.01 -0.06 0.03 0.02 0.06 0.09 0.03 -0.13 0.08 0.06 0.12 -0.01 -0.05 -0.01 -0.03 0.02 0.04 -0.07 -0.02 -0.01 -0.00 0.05 0.10 0.00 0.03 0.03 -0.01 0.03 0.01 0.00 -0.03 -0.05 0.01 0.00 -0.09 -0.01 -0.02 -0.05 -0.02 0.00 -0.08 0.02 0.02 0.07 -0.01 -0.09 -0.21 -0.05 -0.08 -0.18 0.03 0.03 0.09 0.05 -0.08 -0.03 0.02 -0.02 -0.02 0.01 -0.02 -0.03 -0.02 0.05 0.01 -0.02 0.09 -0.00 -0.03 0.04 -0.00 -0.06 0.08 -0.01 0.04 -0.05 -0.01 -0.09 0.18 0.04 -0.13 0.15 0.03 0.04 -0.06 0.01 -0.05 -0.01 -0.02 0.10 0.20 -0.45 0.13 -0.16 0.46 -0.01 -0.01 0.02 0.09 0.11 -0.13 0.00 0.02 -0.03 -0.04 -0.13 0.14 -0.02 -0.11 0.23 0.01 0.03 -0.04 -0.00 -0.01 0.02 0.00 -0.02 0.02 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.03 -0.00 -0.01 -0.00 0.01 -0.01 0.05 -0.06 0.00 0.00 0.06 -0.01 0.13 -0.12 0.02 0.03 0.15 -0.01 -0.03 -0.01 -0.06 -0.03 0.00 0.03 -0.05 -0.04 0.01 0.00 0.02 0.08 0.02 0.00 0.03 -0.01 0.01 0.03 0.01 -0.00 -0.05 0.01 -0.03 -0.08 -0.02 0.00 -0.04 -0.01 -0.03 -0.07 0.02 0.03 0.05 -0.02 -0.05 -0.18 -0.04 -0.05 -0.17 0.02 0.00 0.05 0.01 -0.05 -0.02 0.01 -0.02 -0.01 0.01 -0.01 -0.03 -0.02 0.03 0.02 0.00 0.05 -0.01 -0.02 0.03 -0.00 -0.02 0.05 -0.02 0.04 -0.03 0.00 -0.07 0.11 0.04 -0.09 0.09 0.02 0.04 -0.04 0.00 0.03 0.00 0.02 0.11 -0.35 0.25 -0.09 0.45 -0.28 0.02 0.02 -0.01 -0.11 -0.16 0.20 0.01 -0.03 0.05 0.06 0.18 -0.21 0.04 0.14 -0.30 -0.01 -0.05 0.06 -0.00 0.01 -0.03 -0.01 0.03 -0.03 -0.01 0.00 0.00 0.01 -0.00 0.01 -0.04 0.00 0.01 0.00 -0.00 0.02 -0.04 0.10 -0.11 0.04 -0.11 0.11 -0.08 0.23 -0.25 0.10 -0.23 0.26 0.03 -0.08 0.08 -0.05 0.10 -0.10 -0.00 -0.02 0.02 -0.02 0.05 -0.02 -0.11 0.07 -0.01 0.06 0.11 -0.04 -0.06 -0.11 0.04 -0.05 0.13 -0.02 0.11 -0.07 0.01 -0.02 0.14 -0.03 0.02 -0.05 0.02 0.00 -0.12 0.05 0.05 -0.11 0.04 -0.02 0.09 -0.02 0.00 -0.03 0.06 0.08 0.02 0.11 -0.08 -0.08 0.07 0.09 0.08 -0.08 -0.02 0.01 0.15 -0.07 -0.02 -0.11 -0.06 0.00 0.14 0.01 0.01 -0.06 0.01 0.09 -0.12 -0.04 0.07 -0.13 -0.02 0.00 0.10 -0.01 -0.00 0.00 -0.02 -0.00 0.02 -0.02 0.02 -0.03 0.04 0.02 -0.01 -0.07 -0.15 0.18 0.01 -0.03 0.04 0.07 0.21 -0.24 0.06 0.18 -0.30 -0.01 -0.06 0.07 -0.00 0.01 -0.03 -0.01 0.03 -0.03 -0.01 0.00 -0.00 0.00 -0.00 0.02 -0.05 0.01 0.01 0.00 -0.00 0.02 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.02 -0.01 0.04 -0.03 0.01 -0.02 0.02 0.00 -0.02 0.02 -0.03 0.08 -0.09 -0.02 0.07 -0.02 -0.16 0.08 -0.00 0.10 0.13 -0.06 -0.10 -0.15 0.06 -0.09 0.14 -0.03 0.17 -0.10 0.01 -0.00 0.17 -0.05 0.02 -0.07 0.03 -0.02 -0.18 0.04 0.10 -0.16 0.02 -0.04 0.15 -0.03 0.01 0.01 -0.05 -0.07 -0.03 -0.10 0.08 0.07 -0.06 -0.09 -0.06 0.07 -0.01 -0.00 -0.12 0.07 0.03 0.11 0.04 0.03 -0.10 0.00 -0.03 0.05 -0.05 -0.03 0.11 0.02 0.00 0.13 0.02 0.00 -0.10 0.04 -0.00 0.04 0.08 -0.40 0.38 -0.05 0.21 -0.20 -0.04 -0.01 -0.01 0.00 0.14 -0.16 -0.02 0.03 -0.03 -0.07 -0.14 0.18 -0.05 -0.09 0.11 0.01 0.04 -0.05 0.01 -0.01 0.02 0.01 -0.03 0.02 0.02 -0.00 0.00 0.01 -0.00 -0.01 0.04 -0.01 -0.00 0.00 0.00 -0.01 0.01 -0.02 0.00 0.00 0.01 -0.01 0.03 -0.03 0.01 0.01 0.04 -0.02 -0.01 -0.00 -0.01 -0.00 -0.01 0.01 -0.01 -0.02 0.01 -0.00 -0.00 0.01 0.01 -0.00 0.01 -0.01 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.01 0.00 0.00 0.01 0.01 -0.00 -0.00 -0.03 -0.02 -0.00 -0.02 0.01 -0.01 0.01 -0.01 -0.01 0.04 0.06 0.02 0.08 -0.07 -0.05 0.04 0.07 0.06 -0.05 0.03 -0.01 0.09 -0.06 -0.02 -0.09 -0.02 -0.05 0.07 0.01 0.02 -0.04 0.04 0.03 -0.09 -0.02 -0.02 -0.11 0.00 -0.02 0.09 0.05 0.02 0.02 0.08 -0.32 0.32 -0.07 0.37 -0.29 -0.07 -0.01 -0.01 0.04 0.18 -0.22 -0.03 0.04 -0.05 -0.11 -0.27 0.32 -0.09 -0.21 0.31 0.01 0.07 -0.09 0.01 -0.01 0.04 0.02 -0.04 0.03 0.02 -0.00 0.00 0.01 -0.00 -0.02 0.07 -0.01 -0.01 -0.00 0.00 -0.02 -0.03 0.10 -0.11 0.04 -0.10 0.11 -0.08 0.25 -0.27 0.10 -0.22 0.26 0.05 -0.13 0.13 -0.06 0.14 -0.13 0.00 -0.03 -0.00 -0.01 -0.03 0.00 0.09 -0.03 -0.01 -0.07 -0.05 0.02 0.08 0.08 -0.03 0.08 -0.02 0.05 -0.12 0.06 -0.00 -0.02 -0.04 0.07 0.00 0.03 -0.03 0.04 0.12 0.03 -0.10 0.10 0.06 0.05 -0.10 0.06 0.01 -0.00 -0.03 -0.04 -0.04 -0.05 0.07 0.03 -0.02 -0.08 -0.05 0.05 -0.08 0.04 -0.04 0.06 0.04 0.08 0.00 0.10 -0.02 0.01 -0.03 0.02 -0.12 0.05 0.09 -0.02 0.11 0.11 -0.01 0.06 -0.09 0.05 -0.01 -0.01 0.06 -0.32 0.28 -0.05 0.22 -0.27 -0.03 0.00 -0.01 -0.00 0.07 -0.08 -0.02 0.01 -0.01 -0.05 -0.09 0.11 -0.03 -0.04 0.05 0.00 0.02 -0.03 0.00 0.00 0.01 0.01 -0.02 0.01 0.01 -0.00 0.00 0.01 -0.00 -0.01 0.03 -0.01 -0.00 -0.00 -0.00 -0.01 0.04 -0.08 -0.11 0.04 -0.11 -0.09 -0.07 -0.05 -0.07 0.11 -0.06 -0.01 0.12 -0.01 -0.05 -0.09 -0.05 -0.08 -0.01 0.03 0.10 0.17 0.04 -0.03 0.00 0.13 -0.02 0.05 -0.10 0.05 -0.02 0.11 -0.06 -0.11 0.02 -0.01 0.03 -0.11 0.02 -0.09 -0.07 0.02 -0.17 -0.03 0.06 0.15 0.04 -0.13 0.14 -0.03 -0.09 -0.16 -0.04 0.05 -0.15 -0.08 -0.03 -0.06 -0.04 0.11 -0.01 0.03 -0.11 -0.03 -0.07 0.12 0.06 0.04 0.06 0.03 0.02 -0.10 0.11 0.06 -0.01 0.13 0.11 0.04 -0.12 -0.17 -0.00 -0.08 -0.12 -0.06 0.13 0.12 0.01 -0.09 0.21 0.22 -0.13 0.32 0.18 -0.08 0.19 0.28 0.00 0.00 -0.01 0.03 0.00 -0.03 -0.01 -0.01 -0.01 -0.01 -0.04 0.03 -0.00 0.03 0.01 -0.01 0.00 -0.00 0.00 0.01 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 -0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.01 0.09 -0.25 0.26 0.07 -0.28 0.25 -0.05 0.10 -0.12 -0.02 0.11 -0.11 0.08 -0.18 0.20 -0.01 0.01 0.00 -0.03 -0.00 0.01 0.03 0.02 0.00 -0.03 -0.04 0.02 -0.03 -0.02 -0.06 0.04 -0.01 -0.00 0.03 -0.00 -0.05 0.01 -0.00 0.01 -0.05 -0.07 -0.05 0.02 -0.05 -0.06 -0.01 0.04 -0.06 0.01 0.00 -0.01 -0.02 -0.01 -0.02 0.03 0.01 0.01 -0.03 -0.04 0.01 -0.08 0.06 0.00 0.04 -0.00 0.04 -0.03 0.08 0.02 -0.01 -0.01 0.01 -0.05 0.02 0.03 0.01 0.06 0.05 -0.06 0.08 -0.04 0.02 0.01 -0.05 -0.10 0.35 -0.23 -0.07 0.27 -0.29 -0.01 0.01 0.02 -0.02 -0.07 0.09 0.03 0.00 0.01 0.01 -0.08 0.11 -0.02 -0.22 0.24 0.01 0.02 -0.03 -0.00 -0.03 -0.01 -0.02 0.00 0.02 -0.01 0.00 -0.00 -0.03 0.01 0.00 -0.01 0.01 0.00 0.03 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.03 0.07 -0.07 -0.02 0.05 -0.06 0.01 -0.03 0.03 0.01 -0.02 0.02 -0.02 0.05 -0.04 0.01 0.00 -0.00 0.01 0.01 -0.01 0.00 -0.01 0.00 0.01 0.02 -0.01 0.00 0.01 0.01 -0.00 -0.01 0.00 -0.02 -0.00 0.01 -0.01 -0.00 -0.00 0.02 0.02 0.01 0.01 0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.02 -0.01 -0.00 0.01 0.00 0.02 -0.02 -0.01 0.01 -0.03 -0.01 0.01 -0.01 0.00 0.00 -0.00 0.01 0.02 0.03 -0.04 -0.02 0.13 -0.06 0.04 -0.00 0.03 -0.41 0.18 0.08 0.22 0.11 0.11 0.12 -0.03 0.32 0.09 -0.52 -0.14 0.10 -0.01 -0.07 -0.03 -0.17 -0.11 -0.17 0.08 0.05 -0.06 0.00 -0.01 -0.20 0.10 0.04 -0.18 0.11 0.02 0.22 0.06 0.08 0.00 0.08 -0.01 0.01 0.06 -0.03 0.13 -0.25 0.33 0.15 -0.30 0.35 0.00 0.01 0.03 -0.01 -0.01 0.01 0.02 -0.01 -0.00 -0.02 -0.01 0.00 -0.00 -0.02 0.00 -0.01 0.01 -0.00 -0.00 -0.02 -0.00 0.01 0.01 0.06 -0.01 0.01 -0.01 0.01 0.03 0.05 0.02 0.00 -0.01 -0.02 0.01 0.07 -0.02 0.02 0.05 0.03 0.03 0.06 -0.08 0.03 0.00 0.01 -0.06 0.04 0.01 -0.04 -0.06 -0.07 0.05 0.06 0.20 -0.27 -0.03 -0.06 0.08 -0.04 0.21 -0.26 -0.07 0.08 -0.01 0.00 -0.03 -0.11 -0.02 -0.03 -0.10 -0.05 0.26 -0.28 -0.05 0.02 -0.02 -0.04 -0.03 -0.07 0.07 0.04 -0.24 -0.01 0.00 -0.00 -0.00 -0.02 0.06 -0.05 0.00 0.01 0.01 -0.01 0.01 0.02 0.01 0.03 -0.08 0.01 0.00 -0.01 -0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 -0.05 -0.03 0.02 -0.06 -0.01 0.06 -0.14 0.14 -0.13 -0.14 0.14 -0.12 0.01 0.01 -0.01 -0.02 0.04 0.01 -0.02 -0.03 0.01 0.10 0.04 0.04 0.00 0.07 -0.07 0.05 -0.09 -0.04 0.01 0.12 0.04 -0.09 -0.07 -0.28 0.06 -0.06 0.09 -0.05 -0.13 -0.20 -0.11 -0.04 -0.02 0.13 0.03 -0.10 0.14 -0.01 -0.05 -0.14 -0.12 -0.27 -0.01 0.08 0.02 0.05 -0.03 -0.04 0.04 -0.05 0.03 -0.03 0.09 -0.02 0.16 -0.26 -0.08 -0.04 0.07 0.05 0.14 -0.26 -0.04 -0.01 -0.07 -0.02 0.07 -0.00 -0.01 0.07 -0.00 0.01 0.15 -0.31 -0.07 -0.00 -0.06 -0.06 0.13 -0.10 -0.21 0.00 0.17 -0.05 -0.00 0.00 0.01 0.02 -0.05 0.04 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 -0.04 0.09 -0.01 0.00 0.00 0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.04 -0.05 -0.06 -0.04 -0.03 -0.04 -0.03 -0.13 0.05 -0.02 -0.17 0.04 0.01 -0.04 -0.02 0.02 -0.00 -0.01 -0.03 0.00 0.02 0.01 -0.03 -0.09 0.01 0.03 0.05 0.02 0.01 0.08 -0.01 -0.02 -0.12 0.04 0.15 0.39 -0.01 -0.05 -0.09 0.03 0.09 0.30 -0.01 0.02 0.06 0.04 0.05 0.09 0.03 0.02 0.03 0.04 0.13 0.41 0.05 0.07 0.02 0.04 0.02 -0.06 0.03 -0.02 0.09 0.00 0.08 -0.07 0.09 -0.21 -0.08 -0.00 0.03 0.10 0.09 -0.21 -0.00 -0.08 -0.06 -0.02 0.19 -0.04 -0.03 0.20 -0.04 0.03 0.06 -0.27 -0.07 -0.05 0.06 0.08 0.02 0.06 0.00 -0.03 0.22 0.13 0.00 0.00 -0.00 0.00 -0.02 0.02 -0.00 -0.01 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.05 0.05 -0.03 -0.07 0.08 -0.01 0.07 -0.33 0.37 0.08 -0.34 0.42 0.02 -0.02 0.03 -0.01 -0.01 0.06 -0.03 -0.00 -0.03 0.06 0.01 -0.01 0.01 0.05 -0.03 0.03 -0.05 0.01 0.01 0.07 -0.03 -0.03 0.03 0.04 0.03 -0.06 0.02 -0.01 -0.03 0.04 -0.07 -0.02 0.00 0.11 0.07 0.04 0.11 0.03 0.05 -0.06 -0.00 0.07 0.04 -0.03 -0.01 -0.00 0.03 -0.01 -0.02 0.02 0.01 0.05 -0.03 -0.03 -0.13 0.20 0.03 0.03 -0.05 -0.00 -0.15 0.20 0.04 -0.02 0.01 0.00 -0.02 0.11 0.02 -0.06 0.09 0.02 -0.17 0.22 0.07 0.00 -0.05 -0.05 0.13 -0.26 -0.04 0.05 -0.01 0.06 0.00 -0.00 -0.00 -0.01 0.04 -0.03 -0.00 0.01 0.00 -0.00 0.02 -0.01 0.01 0.03 -0.06 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 0.09 -0.01 0.01 0.08 -0.10 0.27 -0.16 -0.11 0.30 -0.21 -0.01 0.06 -0.00 -0.02 0.03 0.01 0.02 -0.03 0.00 0.03 -0.02 -0.07 0.00 0.04 0.02 0.04 -0.02 0.05 -0.02 0.00 -0.10 0.02 0.14 0.37 0.03 -0.07 -0.06 0.04 0.07 0.29 -0.04 0.00 0.03 0.07 0.09 0.19 0.11 0.06 0.13 0.00 0.16 0.41 -0.04 -0.01 -0.01 -0.01 -0.03 0.03 -0.00 -0.01 -0.05 -0.02 -0.02 0.04 -0.01 0.06 0.03 -0.01 0.00 -0.05 -0.01 0.06 -0.01 0.05 0.01 0.01 -0.12 0.04 0.02 -0.12 0.04 -0.01 0.00 0.09 0.03 0.05 -0.09 -0.11 0.02 -0.05 -0.13 0.02 -0.09 -0.21 -0.00 0.00 0.01 0.01 -0.04 0.04 -0.00 -0.01 0.00 0.01 0.01 -0.02 -0.01 -0.02 0.06 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 -0.01 0.01 0.01 -0.02 0.04 -0.03 0.04 0.03 -0.09 0.07 0.01 -0.04 0.05 0.03 -0.03 0.02 -0.03 0.09 -0.06 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.01 0.00 0.01 -0.00 -0.00 0.01 0.02 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.02 -0.02 -0.00 0.00 0.01 -0.00 0.01 -0.00 -0.03 -0.01 -0.02 0.01 0.02 -0.01 0.01 -0.01 -0.01 -0.01 0.01 0.02 -0.03 0.00 -0.01 -0.00 -0.02 0.02 -0.02 -0.02 0.00 0.02 0.01 0.03 -0.09 -0.02 0.02 -0.09 -0.03 0.05 -0.05 -0.01 0.01 -0.05 0.00 -0.03 0.35 -0.35 -0.11 0.44 -0.34 -0.01 0.00 0.03 0.05 -0.29 0.25 0.00 -0.05 -0.01 0.06 0.02 -0.12 -0.04 -0.19 0.38 -0.02 -0.00 0.02 0.00 0.01 0.01 0.02 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.02 -0.00 -0.00 -0.02 -0.00 -0.01 -0.00 -0.02 -0.03 -0.04 -0.04 0.05 -0.02 -0.06 -0.04 0.01 -0.02 0.01 0.01 -0.04 0.02 0.01 0.03 -0.02 -0.01 -0.02 -0.07 0.00 0.01 0.03 0.00 0.01 0.02 0.00 0.00 0.00 0.00 -0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.04 -0.02 -0.07 -0.19 -0.03 -0.06 -0.16 -0.02 -0.06 -0.16 -0.11 0.17 0.04 0.04 -0.06 -0.01 0.04 -0.07 0.00 0.01 0.01 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.01 0.05 -0.09 -0.02 -0.26 0.43 0.09 -0.26 0.42 0.09 -0.26 0.38 0.09 0.03 0.01 0.03 -0.11 0.20 0.04 -0.02 -0.04 -0.13 -0.00 0.00 0.00 0.00 -0.04 0.04 0.00 -0.01 -0.00 0.01 -0.00 -0.01 -0.01 -0.03 0.06 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.03 -0.04 0.03 -0.03 -0.03 0.03 -0.07 -0.01 0.03 0.03 -0.06 0.00 0.01 -0.03 0.01 -0.02 -0.00 -0.01 -0.01 -0.00 0.02 0.07 0.19 -0.02 -0.03 -0.07 -0.02 -0.01 -0.07 -0.01 -0.02 -0.00 0.01 0.02 0.05 -0.01 0.01 0.00 -0.01 0.01 -0.03 -0.00 -0.04 -0.11 0.04 0.18 0.53 0.03 0.16 0.45 0.07 0.17 0.44 -0.04 0.06 0.01 0.02 -0.02 -0.01 0.02 -0.02 0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 0.02 -0.04 -0.01 -0.09 0.16 0.03 -0.08 0.15 0.04 -0.10 0.14 0.03 -0.03 0.01 0.03 0.02 0.03 -0.06 -0.02 0.16 0.07 -0.00 0.00 -0.00 0.00 -0.02 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.01 -0.00 -0.00 -0.01 0.01 0.02 -0.00 -0.00 -0.02 0.00 0.01 0.00 0.00 0.00 -0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.01 0.04 -0.00 0.00 0.00 0.01 -0.01 -0.03 -0.00 0.00 0.00 -0.00 0.01 0.02 -0.01 -0.01 -0.03 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.01 -0.00 0.00 -0.00 0.01 -0.02 -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 0.02 -0.01 0.05 -0.13 0.07 0.03 -0.01 0.07 -0.05 -0.02 0.00 0.14 0.17 -0.25 0.05 0.17 -0.18 -0.02 -0.28 0.33 -0.08 -0.30 0.50 -0.07 -0.25 0.36 0.01 0.02 -0.10 0.01 0.08 -0.08 0.01 -0.00 -0.01 0.06 -0.01 0.04 -0.10 0.01 0.01 0.06 -0.02 0.05 0.02 0.08 0.06 0.07 -0.05 -0.05 -0.09 0.06 0.18 -0.03 -0.09 -0.19 0.02 0.06 0.04 0.05 -0.01 -0.04 0.01 -0.02 0.01 -0.00 -0.01 -0.04 -0.00 -0.02 0.01 -0.00 0.01 0.00 -0.01 -0.02 0.01 0.00 -0.01 0.05 -0.01 0.01 0.00 -0.00 0.02 0.02 0.01 0.01 0.02 -0.04 -0.03 -0.05 -0.03 -0.02 -0.06 -0.01 -0.02 -0.09 -0.01 0.02 0.00 -0.00 -0.02 0.02 -0.01 0.01 -0.00 -0.01 -0.02 0.01 -0.03 0.01 0.03 -0.01 0.00 -0.01 0.05 -0.07 -0.02 0.01 -0.01 -0.00 -0.09 0.06 0.02 -0.02 -0.01 -0.01 -0.03 0.07 0.00 -0.14 -0.04 -0.01 0.36 -0.44 -0.31 -0.00 0.48 0.39 0.00 -0.00 -0.00 0.00 0.02 -0.02 -0.00 -0.01 0.01 0.01 0.03 -0.04 0.00 0.02 -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 0.03 -0.06 0.08 -0.01 0.06 -0.07 -0.16 0.40 -0.38 0.12 -0.36 0.34 0.00 0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.03 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.01 0.03 0.00 0.01 0.02 -0.01 0.01 0.00 -0.03 0.04 0.01 0.02 -0.04 -0.01 -0.02 0.03 0.01 0.19 -0.28 -0.07 0.02 -0.04 -0.01 -0.17 0.25 0.06 0.00 -0.01 -0.00 0.14 -0.21 -0.05 -0.17 0.25 0.05 -0.02 0.03 0.01 -0.02 -0.00 -0.00 0.04 -0.05 -0.03 -0.00 0.06 0.04 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 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.05 -0.05 0.02 -0.05 0.05 0.11 -0.29 0.30 -0.10 0.26 -0.28 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 0.01 0.03 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.03 -0.00 -0.01 -0.02 0.00 -0.00 -0.00 -0.03 0.05 0.01 0.03 -0.05 -0.01 -0.03 0.04 0.01 0.23 -0.33 -0.09 0.03 -0.04 -0.01 -0.23 0.35 0.08 -0.00 0.00 -0.00 0.20 -0.31 -0.07 -0.20 0.30 0.06 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 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 0.01 -0.00 0.00 -0.01 0.00 0.01 -0.03 0.04 -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 -0.01 -0.02 0.01 0.03 0.08 -0.01 -0.01 -0.04 0.01 0.02 0.06 -0.07 -0.20 -0.50 -0.01 -0.03 -0.08 0.04 0.15 0.39 -0.00 -0.01 -0.02 -0.05 -0.14 -0.39 0.07 0.18 0.51 0.02 0.05 0.15 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 0.02 0.00 -0.01 0.00 -0.00 0.04 -0.01 -0.02 -0.01 -0.00 -0.00 0.02 0.02 -0.04 -0.02 0.03 0.05 0.01 0.00 0.01 -0.00 -0.02 -0.01 0.00 0.01 0.01 0.01 -0.00 -0.00 -0.01 0.01 0.01 -0.01 0.01 0.00 0.04 0.00 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.03 -0.10 -0.00 -0.00 -0.02 0.01 0.02 0.06 0.00 -0.00 -0.01 -0.01 -0.03 -0.07 0.01 0.03 0.10 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 -0.01 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 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 -0.01 0.10 -0.10 -0.02 0.07 -0.04 0.10 -0.01 0.04 -0.36 0.06 0.18 0.08 0.06 -0.02 -0.20 -0.17 0.37 0.18 -0.30 -0.41 -0.06 -0.07 -0.03 0.02 0.14 0.10 -0.03 -0.11 -0.09 -0.05 0.03 0.01 0.10 -0.08 -0.06 0.10 -0.10 -0.03 -0.36 -0.03 -0.09 -0.00 0.00 0.01 -0.00 0.01 0.01 -0.01 0.00 0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.03 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 0.00 -0.00 0.00 0.01 0.01 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.02 0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.04 0.05 0.01 -0.00 0.00 -0.00 -0.02 0.04 0.01 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 -0.02 -0.01 0.03 -0.05 -0.01 0.01 -0.08 0.07 -0.04 0.30 -0.25 -0.10 0.26 -0.22 -0.01 -0.07 0.07 0.07 0.28 -0.27 -0.02 0.03 -0.05 -0.11 -0.13 0.17 0.01 0.50 -0.47 0.01 0.01 0.02 -0.01 -0.02 -0.02 0.01 0.02 0.02 0.02 -0.01 -0.00 -0.02 0.02 0.01 -0.02 0.02 0.01 0.08 0.00 0.02 0.01 0.01 0.01 0.03 -0.02 -0.04 -0.06 0.03 0.03 0.04 -0.03 -0.01 -0.00 0.01 0.01 -0.01 -0.02 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 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 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.05 0.06 0.01 0.06 -0.09 -0.03 0.06 -0.09 -0.01 0.00 0.02 -0.01 -0.31 0.47 0.11 -0.00 0.01 0.01 -0.30 0.45 0.11 -0.05 0.07 0.02 0.07 -0.05 -0.01 0.02 -0.02 0.00 0.29 -0.44 -0.09 0.00 0.00 -0.00 -0.00 -0.01 0.02 0.01 -0.02 0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.01 0.02 0.04 -0.04 -0.00 -0.06 0.06 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.00 -0.00 0.01 0.01 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -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 0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.03 -0.01 -0.01 -0.01 -0.00 0.00 0.02 0.01 0.01 0.01 -0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.02 -0.03 -0.01 0.00 -0.00 0.00 0.02 -0.03 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.02 0.00 0.02 -0.01 0.02 -0.03 0.09 -0.02 -0.02 0.08 -0.08 -0.01 -0.04 0.01 0.07 0.51 -0.50 0.03 0.00 0.06 0.14 0.42 -0.43 -0.01 -0.17 0.16 -0.00 -0.03 -0.01 0.01 0.03 0.02 -0.02 -0.03 -0.03 -0.02 0.01 0.00 0.02 -0.02 -0.01 0.01 -0.03 -0.01 -0.10 -0.01 -0.02 0.07 0.14 0.11 0.14 -0.04 -0.09 0.08 0.14 0.12 0.09 -0.09 -0.14 -0.12 -0.01 0.05 -0.07 -0.07 -0.05 -0.12 -0.04 -0.00 -0.09 -0.03 -0.02 0.02 0.05 0.07 0.03 0.01 0.05 0.03 0.07 -0.07 -0.03 -0.13 -0.44 0.07 -0.05 0.04 -0.01 -0.14 -0.34 -0.04 -0.03 -0.06 0.14 0.14 0.17 0.09 -0.09 -0.19 0.02 0.12 0.37 -0.05 -0.06 -0.02 0.00 0.03 -0.01 0.00 0.02 0.01 0.04 0.04 -0.06 0.08 -0.04 -0.04 0.04 0.01 0.07 0.06 -0.05 0.01 -0.02 -0.02 -0.01 0.08 0.07 -0.02 0.09 0.03 0.06 -0.06 0.04 0.00 0.04 0.01 0.00 -0.10 0.11 0.09 0.00 -0.15 -0.09 -0.00 0.00 0.00 0.00 -0.05 0.05 -0.01 0.00 -0.01 -0.02 -0.06 0.06 0.00 0.06 -0.06 0.00 0.01 0.00 -0.00 -0.01 -0.01 0.01 0.01 0.01 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.01 0.00 0.02 0.00 0.00 0.04 0.04 0.03 0.07 -0.02 -0.04 0.03 0.05 0.02 0.10 0.02 -0.02 -0.05 0.02 0.02 -0.05 -0.04 -0.02 -0.06 -0.03 -0.00 -0.03 0.02 0.08 0.00 -0.04 -0.10 -0.00 -0.02 -0.07 0.01 0.05 0.03 0.09 0.22 0.53 0.03 -0.04 -0.03 0.05 0.15 0.40 -0.01 0.02 0.08 -0.01 -0.06 -0.26 0.09 0.08 0.24 -0.08 -0.15 -0.43 -0.03 -0.04 -0.01 0.00 0.02 -0.00 0.00 0.01 0.01 0.03 0.02 -0.04 0.06 -0.03 -0.03 0.02 0.00 0.05 0.04 -0.04 0.00 -0.01 -0.02 -0.00 0.05 0.04 -0.01 0.05 0.01 0.03 -0.04 0.03 0.01 0.02 0.00 -0.00 -0.05 0.07 0.04 -0.00 -0.07 -0.06 0.00 0.00 -0.00 -0.01 -0.03 0.03 -0.00 0.00 -0.00 -0.01 -0.02 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 0.02 0.02 -0.02 0.02 0.03 0.41 -0.04 -0.21 -0.28 -0.32 -0.19 -0.12 -0.07 -0.02 0.14 0.03 -0.02 0.02 -0.04 -0.04 -0.12 -0.02 0.04 0.06 -0.07 0.00 0.02 0.09 -0.04 0.04 0.13 -0.04 0.06 -0.04 0.10 0.09 -0.10 0.01 -0.02 0.10 -0.05 -0.09 -0.02 0.02 0.03 0.11 -0.10 0.09 -0.09 0.08 -0.08 -0.03 0.01 0.10 0.08 0.02 -0.01 -0.04 -0.08 -0.05 -0.02 0.06 -0.09 -0.04 0.10 -0.16 0.16 -0.01 -0.03 -0.04 -0.12 0.02 -0.15 0.03 0.07 0.05 0.01 0.02 -0.24 0.05 -0.17 0.16 -0.08 0.08 0.03 -0.01 -0.02 0.05 0.04 -0.09 0.06 0.15 0.02 0.09 0.17 0.00 0.01 -0.01 -0.01 -0.03 0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.06 -0.01 -0.03 -0.05 -0.05 -0.04 -0.02 -0.01 -0.00 0.02 0.00 -0.00 0.00 -0.01 -0.01 -0.02 -0.00 0.01 0.01 -0.01 0.00 0.00 0.02 -0.01 0.01 0.02 -0.01 0.01 -0.01 0.02 0.01 -0.01 0.00 -0.00 0.02 -0.01 -0.01 -0.00 0.00 0.00 0.02 -0.02 0.01 -0.01 0.01 -0.01 -0.00 0.00 0.01 0.01 0.00 -0.05 0.07 0.00 0.04 -0.08 -0.00 0.04 -0.09 0.00 0.25 -0.34 -0.11 -0.06 0.07 -0.01 -0.26 0.37 0.10 0.00 0.02 0.00 -0.31 0.43 0.12 0.26 -0.39 -0.11 0.05 -0.05 -0.02 -0.00 0.01 0.01 -0.01 0.00 0.03 0.00 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 -0.01 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 -0.02 -0.03 -0.03 -0.02 0.01 0.01 -0.11 -0.03 0.03 0.06 0.10 0.09 0.05 0.02 -0.01 -0.01 0.01 0.01 0.03 0.02 0.01 -0.00 0.00 -0.01 0.18 -0.21 0.09 0.04 0.25 -0.12 -0.01 0.03 -0.05 0.07 -0.38 -0.04 0.02 -0.04 0.03 -0.13 0.38 0.03 -0.20 -0.03 0.05 -0.13 0.14 0.17 -0.09 -0.15 -0.04 -0.22 -0.06 -0.03 -0.03 -0.02 -0.01 0.06 -0.00 0.19 0.08 0.09 -0.16 0.02 0.02 -0.05 0.01 -0.05 0.22 0.02 -0.01 0.05 0.04 0.07 -0.21 -0.14 -0.08 -0.03 -0.04 0.03 -0.07 -0.05 -0.01 0.07 -0.12 -0.13 -0.04 -0.01 -0.01 -0.01 0.03 -0.02 -0.04 -0.01 -0.00 -0.02 0.00 0.01 -0.01 -0.01 -0.04 0.04 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.05 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.03 0.00 0.02 0.03 0.03 0.02 0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.00 0.01 0.01 0.02 0.06 -0.01 -0.02 -0.07 -0.01 -0.04 -0.11 -0.06 -0.16 -0.34 0.00 0.00 0.01 0.02 0.15 0.37 0.01 0.03 0.08 0.07 0.22 0.59 -0.02 -0.03 -0.03 -0.05 -0.16 -0.45 -0.00 -0.00 -0.00 -0.02 0.00 -0.06 -0.03 -0.03 0.05 -0.00 0.00 0.01 -0.00 0.02 -0.07 -0.00 0.00 -0.00 -0.01 -0.03 0.07 0.05 0.02 0.01 0.03 -0.01 0.01 0.03 -0.00 -0.01 0.03 0.05 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 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 0.02 0.02 -0.02 0.01 0.02 0.32 -0.03 -0.16 -0.21 -0.24 -0.14 -0.08 -0.04 -0.01 0.09 0.02 -0.01 0.01 -0.02 -0.02 -0.05 -0.01 0.03 -0.09 0.12 -0.01 -0.03 -0.14 0.02 0.01 0.01 -0.06 -0.07 0.12 -0.17 0.02 -0.02 -0.01 0.09 -0.12 0.20 0.12 0.04 0.03 0.13 0.11 0.25 0.08 0.04 0.06 0.08 -0.09 -0.28 0.03 0.04 0.01 0.07 -0.01 0.21 0.09 0.09 -0.17 -0.01 -0.03 0.01 0.01 -0.06 0.25 -0.00 -0.02 -0.02 0.02 0.09 -0.23 -0.16 -0.07 -0.03 -0.14 0.03 -0.02 -0.12 0.03 0.01 -0.08 -0.21 -0.07 -0.01 0.03 0.02 -0.05 0.03 0.08 0.01 0.05 0.09 -0.00 -0.00 0.00 0.01 0.01 -0.02 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.03 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 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 -0.00 -0.01 -0.01 -0.02 -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 -0.01 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.01 0.00 0.02 -0.03 0.01 0.03 -0.02 -0.02 -0.04 0.07 0.02 -0.12 0.15 0.07 -0.05 0.08 0.01 -0.14 0.22 0.03 0.04 -0.10 -0.02 0.25 -0.38 -0.08 0.28 -0.44 -0.10 -0.34 0.48 0.11 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 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 -0.01 -0.01 -0.01 0.03 0.03 0.02 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.03 -0.00 0.00 -0.04 -0.04 -0.08 -0.00 0.06 0.00 -0.12 -0.07 0.08 0.04 -0.01 0.12 -0.08 0.22 0.55 0.06 -0.01 -0.07 -0.15 0.04 -0.16 -0.15 -0.35 -0.49 0.12 0.14 0.31 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.02 0.01 -0.00 0.01 -0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.00 0.01 -0.05 -0.01 0.01 0.03 0.06 0.04 0.02 0.01 -0.00 -0.00 0.00 0.00 0.02 0.01 0.01 0.00 -0.00 -0.01 -0.05 -0.03 0.01 -0.04 0.02 0.05 -0.02 0.11 -0.04 -0.27 -0.23 0.13 0.03 -0.12 -0.01 -0.33 -0.03 -0.29 0.13 0.03 -0.00 -0.29 0.22 0.00 -0.16 -0.23 0.41 0.13 -0.02 -0.16 -0.01 -0.00 -0.00 -0.02 -0.01 0.01 -0.02 -0.01 -0.02 0.01 0.02 -0.07 -0.13 -0.12 0.05 0.00 -0.01 0.07 -0.14 -0.06 -0.12 0.06 0.04 0.01 -0.10 -0.02 -0.17 -0.11 -0.10 0.13 0.07 0.04 0.01 -0.01 -0.01 -0.00 0.03 -0.03 -0.03 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.02 0.00 0.00 0.00 0.02 0.00 -0.00 -0.01 0.03 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.01 0.01 -0.02 0.01 0.02 0.18 -0.02 -0.09 -0.12 -0.11 -0.07 -0.02 -0.01 -0.01 0.03 0.00 -0.01 0.01 -0.01 -0.01 -0.01 0.00 0.01 0.02 0.01 -0.01 0.02 -0.01 -0.03 0.01 -0.05 0.02 0.13 0.11 -0.06 -0.01 0.05 0.01 0.16 0.01 0.15 -0.06 -0.02 0.00 0.14 -0.10 -0.01 0.08 0.10 -0.20 -0.06 0.01 0.08 0.00 0.01 -0.00 -0.04 -0.03 0.03 -0.04 -0.02 -0.04 0.02 0.04 -0.12 -0.29 -0.23 0.13 0.00 -0.02 0.13 -0.30 -0.10 -0.26 0.11 0.07 0.02 -0.22 -0.06 -0.35 -0.24 -0.22 0.24 0.13 0.08 0.01 -0.01 0.01 0.01 -0.02 0.00 0.03 0.01 0.03 0.04 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 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 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 0.02 0.04 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.03 -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 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.03 0.01 0.00 -0.02 0.00 -0.12 -0.01 -0.01 0.33 -0.25 0.01 0.09 0.07 0.05 0.54 -0.21 0.12 -0.18 0.57 0.12 0.05 -0.05 -0.04 0.09 0.02 0.03 -0.05 -0.04 -0.04 -0.11 0.02 -0.01 -0.04 -0.03 -0.04 -0.03 -0.03 -0.02 -0.19 0.01 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.01 -0.01 0.00 0.01 -0.00 -0.05 -0.04 0.02 -0.01 0.00 0.00 0.07 -0.00 0.00 0.00 -0.01 0.00 0.02 0.01 -0.01 -0.05 -0.03 0.02 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 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 -0.01 0.02 -0.04 -0.02 0.21 -0.14 -0.02 0.09 0.07 0.08 0.69 -0.16 0.05 0.01 0.08 -0.02 -0.17 0.07 0.00 -0.22 0.00 -0.04 -0.03 -0.06 -0.05 0.27 0.01 0.06 0.32 -0.06 -0.03 0.32 -0.10 0.03 0.02 -0.03 -0.03 0.01 0.01 0.01 -0.00 -0.01 -0.01 0.05 0.00 -0.02 -0.10 -0.12 -0.10 0.01 -0.00 -0.01 -0.01 0.02 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 -0.01 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.05 -0.04 0.03 -0.01 0.01 -0.00 0.02 0.01 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.04 -0.02 0.01 0.01 -0.04 0.01 -0.00 -0.01 0.04 -0.08 -0.03 -0.06 0.08 0.06 -0.02 0.05 0.04 -0.04 -0.39 -0.32 0.07 -0.04 -0.01 -0.06 0.38 0.19 0.25 -0.00 -0.02 0.07 0.21 0.13 0.12 -0.23 -0.15 0.02 -0.03 -0.13 0.50 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.02 -0.00 0.00 0.00 0.03 -0.03 -0.03 0.04 0.06 0.03 -0.00 0.00 0.02 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.03 0.03 -0.01 0.10 -0.01 -0.00 -0.08 -0.06 0.04 -0.04 -0.04 0.02 0.44 0.28 -0.19 0.07 -0.05 0.01 -0.42 0.02 0.02 -0.01 0.07 -0.02 -0.31 0.04 0.04 0.22 0.07 -0.05 -0.13 0.50 -0.17 -0.00 0.00 0.00 -0.01 -0.00 -0.01 0.01 0.01 -0.00 0.01 0.00 -0.00 -0.04 -0.03 0.01 -0.00 -0.00 -0.00 0.04 0.02 0.03 -0.00 -0.00 0.01 0.02 0.01 0.01 -0.03 -0.02 0.00 -0.00 -0.01 0.05 -0.00 -0.00 0.00 0.01 -0.01 -0.02 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.01 0.00 0.00 0.00 0.02 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.00 0.00 0.02 -0.00 -0.00 0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.05 0.04 0.02 -0.07 0.00 0.03 0.60 -0.05 -0.28 -0.39 -0.39 -0.23 0.04 0.01 0.00 -0.04 -0.02 -0.01 -0.00 0.02 0.02 0.08 0.02 -0.02 0.01 -0.02 0.00 -0.00 0.01 -0.00 -0.02 -0.02 0.01 -0.04 -0.07 0.05 -0.03 0.01 0.00 -0.13 0.05 -0.01 0.01 0.01 -0.00 -0.13 0.00 0.01 -0.09 -0.05 0.03 -0.00 0.04 -0.02 -0.08 -0.04 -0.02 0.01 0.00 -0.01 -0.02 -0.01 0.02 0.02 0.01 -0.01 0.13 0.14 -0.07 0.03 0.01 0.03 0.04 0.01 0.08 -0.01 -0.00 -0.01 0.07 0.03 0.03 0.12 0.08 -0.01 -0.01 0.01 -0.08 -0.00 -0.00 -0.00 0.06 -0.04 -0.06 -0.02 -0.05 -0.06 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -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 -0.02 -0.05 -0.04 -0.04 0.03 0.04 0.44 -0.14 -0.29 0.27 0.43 0.32 -0.04 0.05 0.06 0.01 -0.07 -0.07 0.15 0.05 0.00 -0.11 -0.03 -0.01 -0.03 0.00 0.01 0.01 -0.01 0.01 0.03 0.04 -0.02 0.01 0.04 -0.04 0.03 -0.02 0.00 0.23 -0.09 -0.03 -0.01 -0.01 0.00 0.15 0.00 -0.02 0.07 0.02 -0.02 0.01 -0.06 0.02 -0.09 -0.03 -0.02 -0.01 -0.01 -0.01 0.01 -0.00 0.02 0.03 0.02 -0.02 0.02 0.05 -0.03 0.01 0.00 0.03 0.17 0.09 0.19 -0.01 -0.00 -0.00 0.09 0.06 0.04 0.01 0.00 0.03 -0.01 -0.01 0.01 -0.05 -0.01 0.00 0.09 -0.11 -0.10 -0.02 0.13 0.10 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -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 0.00 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 -0.02 0.00 -0.14 -0.14 0.08 -0.03 -0.02 0.01 0.12 -0.04 0.00 -0.02 0.06 -0.02 0.51 -0.16 -0.01 -0.30 -0.26 0.14 -0.18 0.63 -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 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 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 0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.03 -0.01 -0.03 0.13 0.11 -0.07 0.03 0.02 -0.01 -0.10 -0.04 -0.10 -0.00 -0.02 0.06 -0.33 -0.15 -0.32 0.35 0.26 -0.15 -0.05 -0.18 0.68 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.02 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 0.05 0.06 -0.02 0.05 0.06 -0.07 0.07 0.09 0.01 0.10 0.09 0.01 -0.03 -0.03 0.01 -0.03 -0.04 0.03 -0.07 -0.09 0.05 0.01 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.02 0.01 -0.09 -0.09 0.05 -0.01 0.01 -0.00 -0.18 0.05 -0.01 0.01 0.00 -0.00 0.02 -0.03 0.01 0.03 0.05 -0.02 0.00 0.02 -0.01 -0.04 -0.02 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.01 -0.02 0.08 0.07 -0.04 0.01 -0.00 0.02 0.13 0.05 0.12 -0.01 -0.00 0.00 -0.00 0.00 -0.03 -0.04 -0.03 0.04 -0.00 -0.00 0.00 0.01 -0.03 -0.03 -0.44 0.24 0.37 0.16 0.42 0.45 -0.00 0.00 -0.01 0.01 -0.05 0.02 -0.00 0.01 0.01 -0.01 0.01 0.01 -0.00 0.00 0.03 0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.04 0.01 -0.02 0.05 0.01 0.00 -0.01 0.01 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 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 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 -0.02 -0.03 -0.01 -0.03 -0.03 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.04 -0.05 0.00 0.00 -0.00 -0.02 -0.08 0.12 -0.59 0.07 -0.29 0.64 0.13 0.00 0.06 0.18 -0.26 -0.00 0.00 0.00 -0.01 0.01 0.01 0.05 -0.00 -0.02 0.02 0.05 0.03 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.05 -0.05 0.03 0.00 0.01 -0.00 -0.08 0.02 -0.00 0.00 -0.00 -0.00 0.05 -0.02 -0.00 0.06 0.06 -0.03 0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.04 -0.03 0.01 -0.03 -0.01 -0.03 0.03 0.01 0.03 -0.36 -0.29 0.15 0.04 0.03 -0.02 -0.33 -0.15 -0.31 0.00 0.00 0.00 0.33 0.15 0.31 0.38 0.29 -0.16 0.00 -0.00 0.02 0.00 -0.01 -0.01 -0.05 0.02 0.04 0.02 0.06 0.06 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.02 0.01 0.02 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 0.03 0.03 -0.01 0.05 -0.01 -0.01 -0.04 0.02 -0.00 0.31 0.28 -0.15 -0.04 -0.03 0.01 0.49 -0.13 -0.00 -0.01 -0.00 0.00 -0.38 0.12 0.01 -0.40 -0.35 0.18 -0.02 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.04 -0.03 0.02 0.01 0.00 -0.00 -0.03 -0.02 -0.03 0.00 -0.00 0.00 0.05 0.03 0.05 0.05 0.04 -0.02 0.00 -0.00 -0.00 0.00 -0.01 -0.02 -0.10 0.04 0.09 0.04 0.08 0.10 -0.00 0.00 0.01 -0.02 0.01 0.01 0.00 -0.01 -0.01 0.04 -0.02 -0.01 0.00 -0.00 -0.02 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.02 0.01 0.01 -0.01 0.02 -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 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.03 -0.03 0.02 0.00 0.00 -0.00 -0.05 0.01 -0.00 0.00 0.00 -0.00 0.03 -0.01 -0.00 0.04 0.03 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.00 0.01 0.01 0.01 0.02 0.02 0.01 0.02 -0.05 0.07 0.00 0.00 0.00 0.00 0.31 -0.11 -0.03 0.03 -0.05 -0.04 -0.08 0.03 0.01 0.03 0.07 0.06 -0.00 -0.04 -0.03 0.00 -0.12 -0.09 -0.32 0.19 0.23 -0.28 0.33 0.02 0.66 0.01 0.13 0.02 -0.04 -0.04 0.01 -0.04 -0.04 0.05 -0.05 -0.07 0.01 -0.06 -0.06 -0.01 0.03 0.04 -0.01 0.03 0.04 -0.02 0.06 0.06 -0.01 0.00 -0.01 -0.00 -0.01 0.00 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.04 -0.04 0.01 0.01 -0.00 -0.00 -0.02 -0.00 -0.01 0.00 -0.00 0.00 0.04 -0.01 -0.00 0.08 0.06 -0.03 0.00 -0.01 0.00 0.01 -0.00 0.01 0.00 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.02 0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.02 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.04 -0.02 0.01 0.00 0.00 -0.01 0.02 -0.05 -0.09 -0.22 0.03 0.19 0.13 0.16 0.21 0.02 0.06 0.09 -0.34 0.35 0.02 -0.02 -0.07 -0.07 0.52 -0.28 -0.13 0.03 -0.01 -0.07 -0.10 0.06 0.02 0.08 -0.07 -0.04 0.02 0.01 0.01 -0.06 0.04 0.02 0.14 -0.10 -0.08 0.15 -0.14 -0.03 -0.16 0.02 -0.02 -0.04 0.07 0.08 -0.01 0.08 0.09 -0.15 0.10 0.15 0.04 0.17 0.15 -0.01 -0.09 -0.08 0.07 -0.06 -0.09 0.02 -0.06 -0.06 0.05 -0.01 0.01 0.01 0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.02 0.02 0.01 -0.01 0.01 -0.00 -0.11 0.05 0.01 0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.07 -0.04 0.03 -0.01 0.02 -0.01 -0.04 0.00 -0.04 -0.01 -0.01 0.01 -0.00 -0.01 0.01 0.01 0.01 0.00 -0.05 -0.02 0.03 0.00 -0.00 0.02 0.07 0.05 0.09 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.08 0.06 -0.01 -0.00 -0.01 0.03 -0.04 0.10 0.11 0.35 -0.11 -0.22 -0.18 -0.29 -0.28 0.02 0.05 0.05 -0.21 0.18 0.05 -0.03 -0.04 -0.04 0.42 -0.21 -0.09 0.03 -0.08 -0.01 -0.06 0.04 0.02 0.05 -0.04 -0.02 0.01 0.00 0.00 -0.04 0.02 0.01 0.07 -0.06 -0.05 0.07 -0.08 -0.02 -0.07 0.01 -0.01 0.03 -0.00 -0.01 0.01 0.02 0.02 -0.44 0.08 0.24 -0.29 -0.35 -0.24 0.07 -0.08 -0.10 -0.01 0.10 0.09 0.16 0.05 -0.01 -0.14 -0.06 0.06 -0.04 -0.01 0.01 -0.04 0.01 -0.00 0.01 0.05 -0.02 0.17 0.20 -0.09 0.05 -0.02 0.00 0.06 -0.02 0.02 0.01 -0.00 -0.00 0.27 -0.01 -0.03 0.11 0.03 -0.02 0.01 0.01 -0.00 -0.13 -0.10 0.00 -0.03 -0.02 -0.00 -0.04 -0.02 -0.03 0.03 0.03 -0.04 0.19 0.15 -0.11 0.03 0.01 0.04 0.04 0.00 0.04 0.00 0.00 0.00 0.20 0.11 0.11 0.12 0.08 0.01 0.01 0.01 -0.01 -0.02 -0.00 0.00 0.05 -0.05 -0.04 -0.00 0.05 0.04 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 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.02 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.04 0.04 -0.02 0.00 0.01 -0.00 -0.05 0.02 0.01 -0.00 0.00 0.00 0.05 -0.01 -0.00 -0.04 -0.03 0.01 0.01 -0.03 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 -0.02 -0.02 0.01 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.02 -0.01 -0.02 0.01 0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.01 0.01 -0.03 0.02 0.01 -0.03 0.01 -0.04 0.08 0.06 -0.57 0.31 0.13 0.03 -0.12 -0.10 0.22 -0.23 -0.11 -0.11 0.34 0.28 0.20 -0.13 -0.05 -0.14 0.09 0.03 -0.02 0.01 0.00 0.10 -0.01 0.01 -0.13 0.11 0.04 -0.15 0.10 0.06 -0.12 -0.05 -0.06 -0.04 0.04 0.05 -0.00 -0.05 -0.05 0.21 -0.01 -0.08 0.14 0.13 0.08 -0.02 -0.03 -0.02 -0.04 0.01 0.01 0.06 -0.01 -0.03 0.04 -0.03 0.01 0.00 0.01 -0.00 0.02 0.00 -0.00 -0.02 -0.00 0.00 0.05 0.05 -0.02 -0.00 0.02 -0.01 -0.16 0.06 0.00 -0.00 0.00 -0.00 0.05 -0.02 0.00 -0.10 -0.06 0.04 0.01 -0.04 0.01 0.01 -0.02 0.15 -0.01 -0.00 -0.02 0.03 0.02 -0.01 -0.04 -0.01 -0.05 0.31 0.25 -0.16 0.04 0.04 -0.05 -0.33 -0.15 -0.35 -0.00 0.00 -0.01 0.26 0.12 0.22 -0.34 -0.24 0.10 -0.01 -0.05 0.18 -0.01 0.01 0.02 0.04 -0.01 -0.03 -0.02 0.00 -0.01 0.00 0.01 0.00 -0.01 0.01 0.01 -0.01 -0.00 -0.00 0.05 -0.02 -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.01 -0.02 0.01 0.03 0.02 -0.09 0.00 0.04 -0.07 -0.06 -0.04 0.01 0.00 0.02 0.01 0.00 -0.01 -0.00 -0.04 -0.04 -0.05 0.14 -0.04 0.03 -0.01 -0.00 -0.02 -0.02 0.01 0.06 -0.03 0.01 -0.29 -0.30 0.15 -0.03 -0.06 0.03 0.50 -0.17 0.00 0.00 -0.01 0.00 -0.39 0.10 0.01 0.29 0.22 -0.12 -0.05 0.19 -0.06 -0.02 -0.02 0.04 -0.01 -0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.02 0.12 0.10 -0.06 0.02 0.01 -0.01 -0.08 -0.03 -0.09 0.00 0.00 -0.00 0.11 0.05 0.09 -0.08 -0.06 0.03 -0.00 -0.01 0.06 -0.01 0.02 0.02 0.04 0.01 -0.02 -0.03 -0.03 -0.03 -0.00 0.02 0.00 -0.04 0.01 0.03 -0.01 -0.01 -0.01 0.08 -0.05 -0.02 0.00 -0.03 0.01 0.02 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.02 -0.00 0.00 -0.03 -0.01 -0.01 -0.08 0.09 0.12 0.01 -0.12 -0.12 0.31 0.03 -0.09 0.26 0.19 0.08 -0.04 -0.13 -0.10 -0.11 0.06 0.12 0.15 0.06 0.00 0.03 0.03 0.00 0.04 0.03 -0.02 -0.03 0.01 -0.00 0.01 -0.02 0.00 -0.18 -0.17 0.10 -0.01 -0.00 0.00 0.18 -0.04 0.02 0.00 -0.04 0.01 -0.24 0.05 0.01 0.09 0.09 -0.05 -0.06 0.19 -0.06 0.03 0.01 -0.03 0.05 0.04 -0.02 -0.04 -0.01 -0.03 0.01 -0.00 0.02 -0.24 -0.20 0.11 -0.02 -0.01 0.00 0.18 0.07 0.17 -0.01 -0.02 0.05 -0.21 -0.10 -0.18 0.17 0.13 -0.08 0.01 0.07 -0.26 -0.01 -0.00 -0.00 0.03 -0.03 -0.02 0.00 0.03 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.02 -0.00 0.01 0.01 0.00 -0.02 -0.00 -0.04 -0.03 -0.02 0.02 0.05 0.03 -0.02 -0.01 0.00 0.00 -0.06 -0.06 -0.04 0.09 -0.03 -0.11 -0.10 0.05 0.14 -0.05 0.00 0.09 -0.02 -0.00 0.21 0.19 -0.10 -0.07 -0.06 0.03 -0.26 0.07 -0.00 -0.03 0.14 -0.05 0.08 -0.02 -0.01 -0.03 -0.04 0.01 0.08 -0.28 0.09 -0.00 -0.03 0.15 0.15 0.11 -0.07 -0.14 -0.06 -0.13 -0.09 -0.04 -0.09 -0.27 -0.20 0.11 0.10 0.08 -0.04 0.22 0.11 0.21 -0.01 -0.05 0.19 -0.04 -0.03 -0.04 0.04 0.02 -0.02 0.02 0.11 -0.39 -0.01 0.01 0.03 0.03 0.03 -0.04 -0.03 -0.01 -0.04 0.01 0.01 -0.00 0.02 -0.02 0.02 -0.04 0.01 0.00 0.14 -0.06 -0.02 0.03 -0.10 -0.02 0.02 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.02 -0.01 -0.01 0.00 -0.03 -0.00 -0.00 -0.02 0.04 0.05 0.00 -0.05 -0.05 0.10 0.02 -0.01 0.06 0.03 0.00 0.00 -0.05 -0.05 -0.07 0.04 0.06 0.06 0.01 -0.02 -0.05 0.18 -0.04 -0.17 -0.15 0.07 0.22 -0.07 -0.00 0.18 -0.05 -0.00 0.24 0.22 -0.10 -0.13 -0.12 0.06 -0.32 0.09 0.02 -0.06 0.22 -0.07 -0.04 0.01 -0.00 0.04 0.03 -0.02 0.10 -0.34 0.11 0.03 0.03 -0.15 -0.12 -0.09 0.05 0.12 0.06 0.11 0.10 0.04 0.10 0.14 0.09 -0.06 -0.11 -0.08 0.04 -0.14 -0.08 -0.15 0.01 0.04 -0.17 -0.08 -0.03 -0.06 0.04 0.03 -0.02 -0.02 -0.07 0.24 -0.00 -0.00 0.01 -0.00 0.02 0.00 -0.01 0.01 -0.01 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.02 0.01 0.00 0.06 -0.02 -0.01 0.01 -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 -0.01 -0.00 -0.01 -0.00 0.00 -0.05 -0.02 -0.01 0.05 0.01 -0.00 -0.10 -0.02 0.01 0.09 0.05 0.01 -0.14 -0.09 -0.03 0.16 0.03 -0.03 -0.04 0.12 0.12 0.07 0.06 -0.02 0.00 -0.00 -0.00 0.07 -0.02 -0.01 0.05 -0.04 0.01 -0.08 -0.07 0.05 -0.04 -0.00 0.00 -0.16 0.06 0.03 -0.02 0.03 -0.01 -0.18 0.02 0.01 -0.05 -0.00 0.01 -0.02 -0.02 0.01 -0.08 -0.04 0.02 -0.01 -0.01 0.01 -0.04 -0.02 -0.04 -0.02 -0.00 -0.05 0.11 0.09 -0.05 0.03 0.02 0.02 0.07 0.05 0.09 0.01 0.00 0.02 0.16 0.08 0.11 0.05 0.03 0.02 0.01 0.00 0.03 0.01 -0.01 -0.05 0.00 -0.10 0.04 0.04 -0.05 0.02 -0.02 -0.05 -0.01 -0.24 0.09 -0.02 0.14 -0.04 -0.01 -0.46 0.19 0.06 -0.09 0.44 0.23 -0.08 0.03 0.01 -0.01 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.01 0.10 -0.04 0.06 0.11 0.02 -0.03 0.15 0.02 0.04 -0.03 -0.04 -0.03 0.05 -0.01 -0.03 -0.02 -0.05 -0.04 0.06 -0.01 -0.03 -0.11 -0.01 0.03 0.10 0.07 0.04 -0.01 0.01 0.01 0.05 0.01 -0.01 0.03 0.03 -0.01 0.03 -0.02 0.00 -0.00 -0.02 0.01 -0.07 -0.07 0.03 0.00 0.03 -0.01 -0.16 0.04 0.01 -0.02 0.00 0.00 -0.08 -0.01 0.01 -0.11 -0.07 0.04 -0.01 -0.03 0.01 -0.05 -0.03 -0.01 -0.04 -0.03 0.02 -0.03 -0.01 -0.03 0.01 0.01 -0.02 0.10 0.08 -0.05 -0.01 -0.01 0.03 0.10 0.05 0.09 0.02 0.01 0.00 0.09 0.05 0.04 0.13 0.09 -0.02 0.02 0.02 -0.01 0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.02 0.04 0.04 0.43 -0.08 -0.07 -0.09 0.02 -0.00 0.25 -0.11 -0.04 0.07 -0.43 -0.39 0.07 -0.05 -0.02 -0.01 0.01 0.00 0.00 0.02 0.01 0.04 -0.01 0.01 -0.16 0.10 -0.01 -0.18 0.07 0.05 -0.25 -0.05 -0.10 -0.01 0.05 0.05 -0.04 0.02 0.04 0.02 0.06 0.04 -0.01 0.08 0.07 0.09 -0.09 -0.13 0.01 -0.12 -0.12 -0.08 0.18 0.19 -0.03 -0.00 0.03 -0.06 -0.03 0.02 -0.02 0.03 -0.01 0.04 0.02 -0.02 0.09 0.11 -0.04 -0.04 -0.05 0.02 0.12 0.01 0.02 0.02 -0.00 -0.00 0.01 0.04 -0.02 0.19 0.15 -0.08 -0.01 0.12 -0.04 0.01 0.04 0.00 0.05 0.03 -0.00 0.00 -0.01 0.04 -0.05 -0.03 -0.00 -0.10 -0.06 0.07 0.05 0.04 -0.03 -0.10 -0.04 -0.04 -0.01 -0.01 -0.01 0.01 -0.01 0.06 -0.21 -0.15 0.08 -0.03 -0.05 0.15 0.03 -0.05 -0.08 -0.08 -0.07 0.04 0.09 0.01 0.03 -0.04 0.03 0.05 0.38 -0.04 -0.09 -0.02 -0.00 -0.01 0.04 -0.03 -0.02 0.03 -0.26 -0.34 0.02 -0.04 -0.02 -0.01 0.01 0.00 0.01 0.02 0.02 0.04 -0.01 0.00 -0.14 0.11 0.06 -0.15 0.14 0.05 -0.26 -0.06 -0.12 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.02 -0.03 0.01 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.03 -0.04 -0.30 0.26 0.14 0.32 -0.43 -0.13 -0.01 -0.37 0.61 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.01 0.01 0.01 0.00 -0.01 -0.01 0.01 -0.00 -0.01 -0.01 0.02 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 0.01 -0.01 -0.00 0.02 -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 0.00 0.01 0.00 0.01 0.00 0.00 -0.00 0.02 0.01 0.02 -0.00 -0.00 0.01 0.00 -0.00 0.02 0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.00 0.00 -0.02 0.02 0.02 0.13 -0.01 -0.02 -0.02 -0.01 -0.01 0.05 -0.04 -0.02 0.01 -0.12 -0.12 0.07 -0.03 -0.01 -0.04 0.03 0.02 -0.01 -0.01 -0.01 -0.06 0.03 0.02 0.25 -0.32 -0.38 0.07 -0.37 -0.05 0.64 0.24 0.12 -0.10 0.04 0.08 -0.06 -0.10 -0.08 0.36 -0.04 -0.17 0.24 0.26 0.17 0.19 0.04 -0.03 0.16 0.10 0.04 -0.19 -0.09 -0.02 -0.03 -0.00 0.00 -0.03 -0.05 0.02 -0.06 0.03 -0.00 -0.04 0.04 -0.01 0.15 0.12 -0.06 -0.01 -0.05 0.02 0.22 -0.05 -0.02 0.04 0.01 -0.01 0.21 -0.03 -0.02 0.16 0.09 -0.06 0.05 0.00 -0.01 -0.02 -0.02 0.00 -0.05 -0.04 0.03 -0.03 -0.01 -0.06 -0.01 0.00 -0.05 0.17 0.12 -0.06 -0.03 -0.03 0.04 0.15 0.08 0.12 0.04 0.02 0.01 0.15 0.08 0.09 0.19 0.13 -0.04 0.05 0.03 -0.01 0.03 0.02 0.01 -0.03 0.06 0.05 0.00 -0.07 -0.05 -0.00 0.00 -0.00 -0.02 -0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.02 0.02 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.01 -0.01 0.13 -0.00 0.19 0.17 0.16 -0.03 -0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.01 0.01 0.01 -0.04 0.00 0.02 -0.03 -0.03 -0.02 -0.02 -0.00 0.00 -0.02 -0.01 -0.00 0.02 0.01 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 -0.02 -0.01 0.01 -0.00 0.01 -0.00 -0.03 0.01 0.00 -0.00 -0.00 0.00 -0.03 0.01 0.00 -0.02 -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 0.01 0.00 0.00 0.01 -0.02 -0.01 0.00 0.00 0.00 -0.01 -0.02 -0.01 -0.02 -0.00 -0.00 0.00 -0.02 -0.01 -0.02 -0.02 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.02 0.02 0.02 0.10 -0.01 -0.01 -0.01 -0.01 -0.01 0.03 -0.03 -0.02 0.00 -0.09 -0.09 0.05 -0.02 -0.01 -0.03 0.00 -0.00 -0.01 0.00 0.00 -0.07 -0.02 -0.03 0.42 -0.04 0.54 0.56 0.40 -0.10 0.06 0.01 0.03 0.01 -0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.01 0.05 0.02 0.01 0.01 -0.00 -0.01 -0.02 -0.02 0.04 -0.16 0.04 -0.11 0.04 0.00 0.10 0.07 -0.04 0.14 0.05 -0.03 0.04 0.21 -0.09 -0.15 -0.00 0.02 -0.21 0.18 -0.05 0.03 -0.14 0.05 -0.33 0.21 -0.03 0.15 0.29 -0.13 -0.16 0.58 -0.18 -0.00 -0.01 0.04 -0.03 -0.02 -0.01 0.02 0.02 -0.01 0.03 0.02 -0.00 0.05 0.04 -0.05 -0.03 -0.02 -0.01 -0.00 0.01 -0.04 0.00 -0.01 0.03 -0.03 -0.01 -0.07 0.07 0.06 -0.06 0.01 0.04 -0.14 -0.00 0.00 0.01 -0.00 0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.01 -0.01 -0.05 0.00 0.01 -0.01 0.01 0.00 0.02 -0.00 0.00 0.00 0.02 0.04 0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 0.00 -0.02 -0.03 -0.01 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.01 -0.00 -0.02 -0.02 0.01 -0.00 -0.01 0.02 -0.01 -0.01 -0.01 0.02 0.02 -0.02 0.03 0.06 0.02 -0.04 -0.04 0.00 -0.04 0.01 -0.02 0.02 -0.00 0.03 0.01 -0.01 0.03 0.00 -0.01 -0.02 0.03 -0.01 -0.03 0.01 0.00 -0.08 0.04 -0.01 0.00 -0.03 0.01 -0.10 0.05 -0.00 -0.00 0.04 -0.01 -0.04 0.12 -0.04 0.02 0.04 -0.16 0.08 0.04 0.08 -0.11 -0.07 0.01 -0.13 -0.08 -0.02 -0.08 -0.10 0.18 0.11 0.06 0.06 0.14 0.03 0.27 0.02 0.04 -0.14 0.23 0.07 0.34 -0.18 -0.17 0.21 -0.03 -0.15 0.60 -0.00 0.00 0.01 0.01 0.02 -0.01 -0.01 0.01 -0.01 0.02 -0.01 -0.02 -0.08 -0.00 0.02 -0.02 0.01 0.01 0.03 -0.01 0.00 0.01 0.03 0.07 0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.03 0.02 0.03 -0.00 -0.02 -0.00 -0.01 -0.01 -0.02 -0.02 0.04 0.01 -0.00 -0.05 -0.03 -0.00 -0.00 -0.05 -0.05 -0.13 -0.00 0.05 0.01 0.03 0.03 0.05 -0.03 -0.04 0.20 0.03 -0.04 -0.03 -0.11 0.05 -0.07 0.09 -0.03 -0.15 0.08 -0.01 0.32 0.19 -0.11 -0.11 -0.12 0.06 0.36 -0.02 -0.04 0.12 0.00 -0.02 0.43 -0.08 -0.03 0.34 0.26 -0.14 0.13 0.07 -0.04 -0.06 -0.04 -0.02 0.02 0.02 -0.03 0.00 -0.00 0.04 0.03 0.01 0.05 -0.12 -0.09 0.03 0.05 0.04 -0.02 -0.09 -0.05 -0.04 -0.03 -0.02 -0.02 -0.11 -0.06 -0.08 -0.13 -0.09 0.05 -0.05 -0.04 0.03 -0.01 0.02 0.01 0.03 -0.01 0.00 -0.02 -0.01 0.01 -0.02 0.02 0.02 0.07 -0.00 -0.01 0.03 -0.02 -0.01 -0.04 0.01 -0.00 -0.01 -0.03 -0.05 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.01 0.00 0.00 0.05 0.00 -0.01 0.01 0.03 0.02 -0.08 0.03 0.06 -0.07 -0.06 -0.03 -0.07 -0.02 0.00 -0.12 -0.09 -0.04 0.06 0.04 0.02 0.07 0.02 -0.01 -0.01 -0.04 0.01 -0.03 0.03 -0.01 -0.05 0.02 -0.00 0.10 0.05 -0.03 -0.03 -0.04 0.02 0.13 -0.01 -0.01 0.03 0.01 -0.01 0.14 -0.03 -0.01 0.11 0.07 -0.04 0.05 0.00 -0.01 0.19 0.11 0.05 -0.05 -0.06 0.09 -0.03 0.00 -0.11 -0.10 -0.04 -0.13 0.31 0.22 -0.05 -0.12 -0.10 0.07 0.29 0.15 0.17 0.10 0.06 0.03 0.32 0.16 0.25 0.35 0.26 -0.12 0.12 0.08 0.00 -0.01 -0.01 -0.01 0.00 -0.01 -0.02 0.01 0.03 0.01 0.01 -0.00 -0.01 -0.03 0.00 0.00 -0.01 0.01 0.00 0.02 -0.00 0.00 0.00 0.01 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.09 0.02 -0.01 -0.08 -0.04 -0.01 -0.04 0.06 0.07 -0.01 0.07 0.08 0.01 0.03 0.03 -0.03 0.01 0.03 0.03 -0.08 -0.09 -0.02 -0.01 0.00 -0.02 0.00 0.00 -0.00 -0.01 0.00 0.04 -0.01 -0.00 -0.02 0.01 -0.00 0.02 0.02 -0.01 -0.07 0.01 0.01 -0.02 -0.01 0.01 -0.06 0.02 -0.00 -0.04 -0.02 0.02 -0.03 0.01 -0.00 0.02 0.01 0.00 0.01 0.01 0.01 0.00 0.00 -0.01 -0.02 -0.01 -0.01 0.00 0.00 0.01 -0.02 -0.01 0.01 0.03 0.01 0.02 0.01 0.01 -0.01 0.03 0.01 0.04 0.03 0.03 -0.01 0.01 0.00 0.02 -0.02 0.05 0.02 0.05 -0.03 0.04 -0.03 -0.05 0.02 -0.19 0.16 0.13 0.54 0.01 -0.04 0.28 -0.19 -0.08 -0.42 0.07 -0.04 -0.14 -0.21 -0.37 -0.11 0.02 -0.01 -0.01 0.00 0.00 0.02 0.01 0.01 0.02 -0.00 0.00 -0.06 0.02 -0.04 -0.07 -0.02 0.02 -0.02 -0.02 -0.01 0.40 0.10 -0.05 -0.37 -0.19 -0.05 -0.24 0.28 0.35 -0.01 0.35 0.36 -0.11 -0.04 0.00 0.10 0.05 0.01 -0.00 0.02 0.02 0.05 -0.01 0.01 0.00 0.01 -0.01 -0.03 0.02 -0.01 0.01 -0.02 0.01 -0.02 -0.00 0.00 -0.00 -0.03 0.01 0.06 0.00 0.00 -0.01 0.05 -0.02 -0.01 -0.02 0.01 0.04 0.00 -0.01 0.02 -0.06 0.02 -0.03 0.00 -0.04 -0.01 -0.01 0.02 0.02 0.00 0.04 -0.01 0.00 -0.04 0.03 0.02 0.00 0.01 0.02 -0.04 -0.06 -0.02 -0.02 -0.01 -0.02 0.07 0.03 0.02 -0.01 -0.04 -0.02 -0.02 0.00 0.02 -0.08 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.05 -0.05 -0.03 -0.12 0.00 -0.01 -0.08 0.06 0.02 0.12 -0.02 0.01 0.04 0.05 0.07 0.03 -0.03 -0.01 -0.00 0.00 0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.02 -0.00 -0.01 0.02 0.01 0.01 -0.04 -0.01 0.01 0.04 0.01 -0.00 0.03 -0.02 -0.04 0.01 -0.04 -0.04 0.01 -0.01 -0.00 -0.02 0.01 0.03 0.00 -0.01 -0.01 -0.04 0.15 -0.05 -0.03 -0.10 0.04 0.06 -0.08 0.02 -0.06 0.08 -0.02 0.12 0.02 -0.02 0.02 0.10 -0.04 -0.13 -0.04 0.03 0.04 -0.16 0.05 0.10 0.05 -0.03 -0.13 -0.01 0.02 -0.05 0.18 -0.06 0.04 0.08 -0.31 -0.11 -0.11 0.17 0.04 -0.01 0.19 -0.04 0.02 -0.19 0.22 0.13 0.05 0.10 0.10 -0.17 -0.18 -0.13 0.00 -0.03 -0.09 0.33 0.19 0.12 -0.02 -0.21 -0.12 -0.07 0.01 0.09 -0.37 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.02 -0.00 -0.00 0.01 -0.01 -0.00 -0.02 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.07 -0.03 0.00 0.07 0.03 0.01 0.04 -0.05 -0.08 0.00 -0.08 -0.07 0.02 0.04 0.01 -0.02 -0.00 0.02 0.01 -0.02 -0.02 0.05 -0.30 0.09 0.08 0.21 -0.09 -0.08 0.15 -0.04 0.07 -0.16 0.05 -0.26 -0.07 0.06 -0.07 -0.21 0.09 0.20 0.10 -0.07 -0.06 0.32 -0.11 -0.16 -0.11 0.06 0.26 0.04 -0.05 0.12 -0.34 0.11 0.03 0.04 -0.15 -0.06 -0.06 0.08 0.01 -0.01 0.08 -0.01 0.01 -0.09 0.11 0.07 0.02 0.06 0.06 -0.08 -0.08 -0.06 0.01 -0.02 -0.05 0.15 0.08 0.06 -0.02 -0.10 -0.06 -0.03 0.00 0.04 -0.17 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.01 -0.01 0.02 0.01 0.02 -0.00 0.01 0.02 -0.02 -0.01 -0.03 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 0.03 0.00 -0.00 -0.03 -0.01 0.00 -0.02 0.02 0.02 -0.02 0.02 0.02 0.03 -0.00 -0.01 0.01 0.01 -0.00 0.00 0.01 0.01 -0.23 0.00 0.03 0.26 0.12 -0.08 0.33 -0.05 -0.02 -0.30 0.03 0.03 -0.16 -0.27 0.12 -0.24 -0.10 0.07 -0.34 0.15 -0.01 0.14 -0.01 -0.01 0.27 -0.15 0.02 0.10 0.22 -0.10 0.15 0.07 -0.04 -0.07 -0.04 -0.01 0.09 0.06 -0.01 0.09 0.05 0.05 -0.08 -0.04 -0.04 -0.08 -0.07 0.06 -0.09 -0.06 0.01 -0.07 -0.02 -0.10 0.04 0.03 0.01 0.05 0.02 0.09 0.07 0.06 -0.06 0.05 0.03 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.03 0.00 -0.00 0.01 -0.01 -0.01 -0.03 0.00 -0.00 -0.01 -0.02 -0.02 0.01 0.03 0.02 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.01 -0.04 -0.01 0.00 0.04 0.02 0.01 0.01 -0.03 -0.03 0.00 -0.03 -0.04 -0.01 0.01 0.01 0.03 0.03 0.02 0.01 -0.02 -0.02 0.08 -0.01 -0.01 -0.09 -0.03 0.02 -0.11 0.02 0.01 0.10 -0.01 -0.01 0.05 0.09 -0.04 0.08 0.03 -0.02 0.12 -0.05 0.00 -0.05 0.01 0.00 -0.09 0.05 -0.01 -0.02 -0.07 0.03 -0.05 -0.03 0.02 -0.19 -0.11 -0.08 0.25 0.16 -0.01 0.25 0.13 0.17 -0.23 -0.12 -0.14 -0.21 -0.18 0.19 -0.23 -0.15 -0.00 -0.22 -0.09 -0.29 0.11 0.06 0.06 0.18 0.06 0.24 0.16 0.15 -0.18 0.14 0.09 -0.01 -0.00 0.01 0.01 -0.00 0.00 0.01 -0.00 0.00 0.01 0.01 -0.01 -0.01 -0.03 -0.00 -0.00 -0.02 0.02 0.01 0.03 -0.00 0.01 0.01 0.02 0.01 0.00 -0.02 -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 0.01 -0.00 -0.00 0.01 0.00 0.00 0.02 0.00 -0.01 -0.01 -0.01 -0.00 -0.01 0.01 0.01 -0.00 0.01 0.01 -0.03 -0.01 -0.00 0.02 0.00 -0.01 -0.01 0.03 0.03 0.04 0.01 -0.01 -0.02 -0.01 0.01 -0.04 -0.00 0.01 0.02 0.00 -0.00 0.03 0.03 -0.01 0.02 0.01 -0.01 0.13 -0.03 -0.02 -0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.03 -0.04 0.02 -0.01 -0.00 0.00 -0.01 -0.01 0.00 0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 -0.01 -0.02 0.00 -0.01 0.03 0.01 -0.00 -0.03 0.05 0.03 0.12 -0.00 0.04 -0.02 -0.07 -0.06 -0.24 -0.00 -0.04 -0.02 -0.13 -0.09 0.37 0.49 0.43 -0.01 -0.05 -0.04 -0.22 -0.30 -0.26 0.02 0.01 0.01 -0.08 0.09 0.01 -0.09 0.07 0.06 -0.20 -0.03 -0.07 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.04 0.06 -0.52 -0.36 -0.35 0.65 0.02 -0.22 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 -0.03 -0.01 0.49 0.35 0.34 0.67 0.01 -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 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.01 -0.01 0.29 0.53 -0.23 0.11 -0.06 0.61 0.14 -0.36 -0.22 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.05 -0.08 -0.31 -0.58 0.23 0.13 -0.05 0.69 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 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.04 0.04 0.04 -0.25 -0.46 -0.54 0.01 -0.00 0.00 -0.02 -0.05 -0.04 0.64 0.06 0.08 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.08 -0.05 0.13 0.23 -0.11 0.06 -0.04 0.32 -0.29 0.73 0.44 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.03 0.01 0.00 0.01 -0.00 0.01 0.04 -0.02 -0.29 0.29 -0.07 0.02 -0.02 0.00 -0.03 -0.12 0.05 -0.05 -0.01 0.01 -0.15 -0.53 0.21 -0.19 0.19 -0.05 0.59 0.12 -0.12 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 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 -0.04 -0.00 -0.00 0.01 -0.02 -0.02 0.04 0.20 0.01 0.48 -0.01 -0.00 -0.03 0.04 0.04 -0.07 0.03 0.02 0.01 0.28 0.28 -0.44 0.13 0.01 0.33 -0.41 -0.25 -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 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.04 0.04 -0.01 0.00 0.02 -0.01 -0.00 -0.02 0.01 0.49 -0.48 0.12 0.02 -0.02 0.00 -0.05 -0.18 0.07 -0.04 -0.01 0.01 0.06 0.23 -0.09 -0.26 0.26 -0.06 0.49 0.10 -0.10 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 0.00 0.05 -0.01 -0.01 0.01 0.01 0.01 -0.02 -0.23 -0.01 -0.56 -0.02 -0.00 -0.05 0.08 0.08 -0.13 0.03 0.02 0.01 -0.09 -0.10 0.15 0.22 0.02 0.57 -0.35 -0.21 -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 -0.02 0.02 -0.00 -0.02 -0.07 0.03 0.01 0.01 -0.01 0.18 -0.17 0.04 -0.01 0.02 -0.01 0.22 0.76 -0.31 -0.02 -0.01 0.01 -0.05 -0.17 0.07 0.20 -0.20 0.05 0.28 0.06 -0.06 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.04 -0.03 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.00 -0.04 -0.01 -0.01 0.01 0.02 0.02 -0.03 0.20 0.01 0.48 -0.02 -0.00 -0.05 0.10 0.10 -0.15 -0.03 -0.02 -0.00 -0.24 -0.24 0.37 0.19 0.02 0.50 0.31 0.19 0.07 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 -0.03 0.01 -0.01 -0.03 0.01 -0.02 -0.05 0.02 -0.33 0.32 -0.08 0.03 -0.03 0.01 0.10 0.34 -0.14 -0.01 0.00 0.00 0.16 0.55 -0.22 -0.33 0.33 -0.08 0.14 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 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -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 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 0.02 -0.01 -0.00 0.00 -0.00 0.02 0.05 -0.02 -0.00 -0.00 0.00 0.01 0.04 -0.02 0.01 -0.01 0.00 0.04 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -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 0.01 -0.04 -0.08 -0.09 -0.03 -0.06 -0.06 0.32 0.68 0.63 -0.05 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.02 -0.00 -0.00 0.01 -0.00 -0.01 -0.03 0.01 -0.00 -0.00 0.00 0.01 0.04 -0.02 0.05 -0.06 0.01 0.05 0.01 -0.01 0.00 0.00 -0.00 0.01 0.00 0.02 -0.01 -0.01 0.02 -0.02 -0.02 0.04 -0.11 -0.01 -0.26 -0.01 0.00 -0.02 0.15 0.15 -0.23 -0.05 -0.03 -0.01 0.27 0.27 -0.43 0.09 0.01 0.24 0.54 0.33 0.12 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -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 -0.02 0.01 -0.00 -0.01 -0.02 0.01 0.01 0.03 -0.01 0.15 -0.14 0.04 0.04 -0.04 0.01 0.07 0.22 -0.09 0.04 0.01 -0.01 -0.10 -0.36 0.14 -0.47 0.49 -0.11 -0.47 -0.10 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 -0.01 -0.00 -0.03 -0.00 0.00 -0.00 0.02 0.02 -0.03 -0.01 -0.00 -0.00 0.03 0.03 -0.05 0.01 0.00 0.03 0.06 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 0.01 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 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.04 -0.06 -0.00 -0.00 0.01 -0.02 -0.00 -0.04 -0.01 -0.00 -0.03 -0.43 -0.44 0.66 -0.01 -0.01 -0.00 0.05 0.05 -0.08 0.13 0.01 0.34 0.15 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 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 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 -0.08 -0.04 -0.04 0.21 0.40 0.46 -0.00 -0.01 -0.01 0.04 0.08 0.08 0.75 0.06 0.08 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.04 -0.03 -0.05 0.02 0.03 0.30 0.50 0.38 0.57 -0.19 -0.38 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.04 0.05 0.04 -0.06 0.01 0.03 -0.31 -0.51 -0.39 0.56 -0.18 -0.37 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 6 6 1 1 7 7 6 6 6 6 6 1 6 1 6 1 1 1 6 6 6 6 1 6 1 6 1 1 1 5 1 1 6 1 6 1 1 6 8 8 6 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 6 6 1 1 7 7 6 6 6 6 6 1 6 1 6 1 1 1 6 6 6 6 1 6 1 6 1 1 1 5 1 1 6 1 6 1 1 6 8 8 6 1 1 1 12.00000 12.00000 1.00783 1.00783 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 1.00783 1.00783 11.00931 1.00783 1.00783 12.00000 1.00783 12.00000 1.00783 1.00783 12.00000 15.99491 15.99491 12.00000 1.00783 1.00783 1.00783 319.16178 1.0 4.9E-4 -0.00159 -4.9E-4 1.0 9.4E-4 0.00159 -9.4E-4 1.0 asymmetric 1 0.01399 0.00791 0.00552 0.29147 0.16472 0.11506 931594.3 28.75 39.88 44.62 61.25 68.92 83.58 101.27 119.24 137.59 176.48 192.51 200.36 223.45 301.87 342.15 354.28 388.19 432.87 445.64 509.24 529.70 598.87 603.12 615.42 617.96 685.40 698.69 781.38 838.40 856.46 891.69 903.44 913.56 938.96 960.02 978.56 993.74 1036.26 1044.62 1049.52 1053.29 1057.80 1087.28 1152.53 1155.01 1181.35 1238.40 1247.11 1249.96 1270.30 1283.93 1351.72 1376.41 1386.13 1396.31 1401.90 1456.88 1458.80 1473.01 1475.58 1478.19 1495.06 1517.09 1524.51 1526.23 1561.69 1585.08 1595.58 1602.16 1612.98 1652.25 1691.55 1696.41 1701.52 1703.64 1718.66 1721.90 1745.49 1783.30 1811.20 1845.80 1899.22 1910.07 1913.76 1954.77 1971.62 1976.02 1998.71 2052.83 2080.34 2112.16 2121.80 2139.62 2142.99 2157.00 2163.95 2241.52 2244.57 2311.99 2379.32 2419.57 2421.84 2440.70 2444.67 2597.75 3717.01 3841.73 4396.33 4530.96 4560.28 4592.90 4611.04 4615.32 4624.19 4625.64 4632.00 4637.24 4641.40 4645.64 4650.48 4650.73 4664.10 4721.63 4746.09 4776.72 0.354826 0.376467 0.377411 0.300306 -1019.388397 -1019.366756 -1019.365812 -1019.442917 236.237 82.816 162.283 0.000 0.000 1.377 0.889 2.981 43.177 0.889 2.981 35.319 234.459 76.855 82.409 1 0.593 1.986 6.636 2 0.593 1.984 5.986 3 0.594 1.983 5.763 4 0.595 1.980 5.136 5 0.595 1.978 4.902 6 0.596 1.974 4.521 7 0.598 1.968 4.143 8 0.600 1.961 3.822 9 0.603 1.952 3.541 10 0.610 1.930 3.058 11 0.613 1.920 2.891 12 0.615 1.914 2.814 13 0.620 1.897 2.606 14 0.642 1.826 2.045 15 0.656 1.783 1.819 16 0.661 1.769 1.757 17 0.674 1.729 1.597 18 0.693 1.672 1.412 19 0.699 1.655 1.364 20 0.730 1.567 1.149 21 0.741 1.538 1.087 22 0.779 1.435 0.905 23 0.782 1.429 0.895 24 0.789 1.410 0.866 25 0.791 1.406 0.860 26 0.833 1.302 0.720 27 0.842 1.282 0.695 28 0.898 1.155 0.559 29 0.940 1.069 0.480 30 0.953 1.042 0.458 31 0.980 0.990 0.417 0.119512e+26 25.077412 57.742874 0.228338e+10 9.358578 21.548922 0.200000e+01 0.301030 0.693147 0.224115e+09 8.350470 19.227668 0.116771e+08 7.067334 16.273137 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.6247 2.7048 1.4230 4.0286 -116.5297 -130.6420 -141.0628 2.1416 -4.8861 1.6466 12.8818 -1.2305 -11.6513 2.1416 -4.8861 1.6466 27.4534 10.7843 19.0979 38.5623 -54.0722 -17.9662 -26.1001 -0.0262 4.3202 -6.1804 -6963.6622 -3920.9677 -737.4312 34.1800 -23.0862 -131.2353 -16.7507 19.1854 12.8768 -1746.8578 -1347.7694 -792.0575 -17.0074 -59.5195 -33.8714 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) 0 2-A -1019.7432228 0.77701 0. 0.75027 2.137E-9 4.212E-6 0.3548255 0.3764671 -1019.3667557 -1019.3658115 -1019.4429173 9.6284594,-1.6743078,-7.9541517,-1.1284707,3.2061526,-3.1762345 C01 [X(C19H20B1N2O2)] -1.1793594 -1.0569817 0.0639989 0.1042549 -0.2326722 0.2455781 0.4793096 -0.2366841 0.2072868 0.1146715 -0.027787 -0.0193231 -0.1241031 0.1446514 -0.073252 -0.6766534 0.1039115 0.1503848 -0.2962755 0.1101766 -0.0968302 0.0832417 0.0224481 0.0005451 0.0045217 0.0652899 -0.0078893 0.0052776 -0.0131845 0.1469016 0.0588319 -0.0077251 -0.0333052 -0.0091987 0.096232 0.0047143 -0.0099966 -0.0286948 0.1428364 -0.4009521 1.1003844 -0.5537059 -0.4902734 -1.0074857 0.3863666 -0.241968 0.0554738 -0.0975405 -1.6488848 -0.6355128 0.3229305 0.8475304 -0.3563384 -0.0551392 -0.2819967 -0.27602 0.0179548 1.1310768 0.4080567 -0.3149749 0.9899872 1.7560556 -1.0184322 0.663116 0.362751 -0.3478644 0.6105956 -0.6918806 0.4403482 -0.1043404 0.1055824 -0.1458926 0.0930091 -0.2123806 0.1850367 -0.0359439 0.132863 -0.1014925 0.0432284 -0.0942872 -0.0095508 -0.0286618 -0.0065783 -0.0693375 -0.1403893 0.1020166 -0.0578488 -0.0360744 -0.043939 0.0053805 0.0066238 0.0811099 -0.1149988 -0.0909115 0.0060777 0.0170609 -0.0086732 -0.0517401 -0.1003818 0.0248135 -0.1236381 0.0157178 -0.012032 -0.057185 0.0578517 -0.0360463 0.1031805 0.0216825 0.0490859 0.0105542 0.0826939 0.0406242 0.0508439 -0.0776871 0.0525931 -0.0356111 -0.0776314 -0.0455061 -0.0688234 -0.0305198 0.0597247 0.0150974 -0.0218568 -0.0462137 0.1585277 -0.0177591 0.0034718 -0.0514182 0.1112219 0.0877596 0.0057142 0.0197437 -0.006988 -0.1046443 -0.0224145 0.0185011 0.0032728 -0.0820178 0.0573491 0.0320734 -0.0273191 0.0238642 0.0284552 0.0980802 -0.0340149 0.1048721 0.0018946 0.0139985 -0.0203047 0.0298666 -0.0626503 0.075514 0.0480473 0.0567488 0.0349382 0.0593995 -0.0728088 0.0441193 -0.0429932 0.0296848 0.0887966 0.0321449 -0.0420253 0.0343514 0.082571 1.0061063 -0.1775817 -0.082794 -0.9344135 0.0967969 0.0802221 0.0398227 0.0073966 0.0989668 -0.2764559 -0.0256393 -0.0090507 0.0458056 -0.0353637 0.0176138 -0.0624527 0.0382811 -0.0428819 -0.1436692 0.0102816 0.0879856 0.2339511 -0.069084 -0.030876 0.079413 -0.0334927 -0.0454264 -0.0520758 -0.0382374 0.0789261 -0.0709027 -0.0838236 -0.0047969 0.1076555 -0.0099904 0.0759841 0.0983662 0.0474609 0.0411681 0.0354528 0.0454821 -0.0499931 0.062567 -0.0508837 0.0254179 -0.0091504 -0.0521906 -0.0389394 -0.083815 -0.0248369 0.1086183 -0.0220743 0.0834559 0.0579781 0.1066974 0.0254803 -0.0767053 0.01135 0.077798 0.0133833 -0.0734259 0.0155155 0.0427829 -0.0710443 -0.1006154 0.030387 -0.035973 -0.0118772 -0.0115352 -0.0213033 -0.0013555 -0.0704903 0.0405454 0.0209147 -0.0548014 0.0447521 0.0920657 -0.000786 -0.0831896 0.0041708 -0.0254309 0.0569848 0.0335235 0.0198791 0.0556517 0.0587126 -0.0666585 0.0389684 -0.0630952 -0.0110191 -0.0023169 0.0882795 -0.0146672 0.1063674 0.0401602 -0.0059493 -0.0187751 -0.0009696 0.0803895 0.0134458 -0.3818794 0.3179184 -0.7761634 -0.5646037 0.6791755 0.5396608 0.6556724 -0.3729682 -0.1780822 0.1525963 0.0178341 0.1515643 -0.1105301 -0.1084247 -0.0758375 -0.1542274 0.0005541 -0.2131836 0.0445642 -0.1418798 0.064054 -0.0412343 -0.0183029 -0.0830981 -0.0572822 -0.0658597 0.6430836 0.6698022 -0.6268269 0.8260656 0.8780979 -0.7796298 -0.8758907 -1.0343113 0.7265383 0.0847823 0.0431583 -0.0141427 -0.0263263 -0.0359712 -0.0190715 0.1075675 0.0751693 -0.0297357 -1.7315942 -1.3372406 1.1287835 -0.5356335 -0.5787611 0.5312133 0.331182 0.5046822 -0.4720853 0.0399638 0.0015038 0.0266413 0.0167627 -0.0233136 -0.0188461 0.0295401 -0.0447379 0.1158988 0.0049745 0.0307825 -0.0366806 0.0344555 0.0328803 -0.0103669 0.119056 0.1496647 -0.0543053 2.9754425 1.5113432 -1.2688064 0.1184094 1.1979156 0.175715 -0.4736551 -0.1639563 0.5692098 -1.9160484 -1.024307 0.633648 -0.8991175 -1.2530498 0.3791486 0.1857426 0.0517995 -0.3395825 -1.0822889 -0.1381477 0.3702502 0.5822405 -0.6233396 -0.3452807 0.2176687 0.0738345 -0.5336385 1.084552 0.3871895 -0.3001528 -0.0030198 0.2724304 0.0015944 -0.1614118 -0.0818542 0.3357179 -0.0904404 -0.0600748 0.0319979 0.1035336 0.0395621 0.0534676 -0.0412593 0.0684106 -0.0428225 -0.0675073 -0.0729624 0.0158047 0.0653525 0.0676141 -0.0886023 0.0687432 -0.0168159 -0.0867161 -0.0425185 -0.07707 0.0347343 -0.1240117 -0.0945427 0.0199708 0.0099117 -0.0040559 0.075728 335.5944941|6.4272276|263.0290977|-16.1709226|-52.5423394|209.6307256 0.000001194 0.000000873 -0.000005219 -0.000001551 -0.000001895 0.000004551 -0.000000311 -0.000000494 0.000001142 0.000000221 0.000000199 -0.000001301 -0.000006432 -0.000006653 0.000013780 -0.000002087 0.000000727 0.000005378 0.000008890 0.000006328 -0.000026038 0.000003260 0.000005509 -0.000006039 -0.000000988 0.000002796 0.000001658 0.000003114 -0.000001584 -0.000003887 0.000000406 -0.000003710 -0.000003026 -0.000000530 0.000000768 0.000000507 -0.000000616 0.000001999 0.000000676 -0.000000128 0.000004906 -0.000000872 -0.000000689 -0.000001049 -0.000000427 -0.000000771 -0.000000267 0.000000117 0.000000685 -0.000001444 0.000000043 -0.000000294 -0.000000021 0.000000347 0.000003059 0.000002351 -0.000005670 0.000000441 0.000000825 -0.000000613 0.000000673 0.000000864 -0.000000672 0.000000024 -0.000000003 -0.000000451 -0.000000017 0.000000557 -0.000000458 -0.000000123 -0.000000212 -0.000000558 -0.000002501 -0.000002193 0.000000274 -0.000000067 0.000000390 -0.000000130 0.000000171 0.000000433 -0.000000366 -0.000000235 -0.000000372 -0.000000071 0.000000256 0.000000446 -0.000000278 -0.000011339 -0.000000604 0.000005413 0.000004434 0.000001228 0.000006655 0.000002664 -0.000005927 -0.000002363 -0.000011596 -0.000009498 0.000010857 0.000007320 0.000002311 -0.000001363 0.000003569 0.000009638 -0.000001575 -0.000000342 0.000000964 -0.000002767 -0.000000736 -0.000000141 -0.000001093 0.000002092 -0.000003046 0.000005700 -0.000000685 0.000000028 -0.000002271 -0.000001766 -0.000005886 0.000006828 0.000000641 0.000000513 0.000000962 -0.000000162 -0.000000707 0.000000107 0.000000358 0.000001036 0.000000564 0.000000498 0.000000020 0.000001945 299.0264999999999 AuxInfo=1/0/N:15,26,11,13,22,24,9,10,20,21,1,2,8,19,7,30,5,6;33,41,35,38,40,39/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3;1.3,3.3,4.3,5.1/rA:44nC3C3HHNNC3C3C3C3C3HC3HC3HHHC3C3C3C3HC3HC3HHHBHHC3HC3HHC3OO1CHHH/rB:s1;s1;s2;s1;s2;s5s6;s5;s8;s8;s9;s9;s10;s10;s11s13;s11;s13;s15;s6;s19;s19;s20;s20;s21;s21;s22s24;s22;s24;s26;s7;s30;s30;;s33;s33;s35;s33;s35;s38;s38;s39;s41;s41;s41;/rC:-1.4724,-2.7154,.5842;-2.6776,-2.1389,.3772;-1.1404,-3.7394,.4432;-3.6185,-2.5596,.0366;-.6144,-1.7312,1.0408;-2.5569,-.8014,.72;-1.2675,-.5199,1.1317;.7433,-1.9855,1.4008;1.0083,-2.8621,2.454;1.7818,-1.3872,.6905;2.3287,-3.1468,2.7958;.1791,-3.3092,3.0066;3.0978,-1.668,1.0491;1.5824,-.6986,-.133;3.3751,-2.5469,2.0958;2.5389,-3.8321,3.6196;3.9067,-1.191,.4922;4.4098,-2.7651,2.369;-3.6267,.1295,.6267;-4.2948,.2803,-.5902;-4.0211,.8672,1.744;-5.3633,1.1694,-.6867;-3.9635,-.2893,-1.461;-5.0808,1.7628,1.6355;-3.4894,.7373,2.687;-5.7553,1.915,.4237;-5.8827,1.2877,-1.6397;-5.3856,2.3432,2.5085;-6.5873,2.6176,.3451;-.6633,.843,1.4703;-1.3987,1.7682,1.7102;.4907,.8736,1.8177;-.5333,1.4118,-.8813;-.3047,.405,-1.2392;.437,2.3681,-.919;.2246,3.4102,-.6745;-1.5854,1.6896,-.803;1.8253,2.0191,-1.2073;2.6262,3.0997,-1.2116;2.2518,.9016,-1.4268;3.9934,2.8627,-1.4749;4.4357,2.2056,-.7107;4.1332,2.3884,-2.4578;4.4864,3.8417,-1.4562; Gaussian 16 13-Jul-2025 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 126 C1[X(C19H20BN2O2)] UwB97XD def2TZVPP SP #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 299.0264999999999 AuxInfo=1/0/N:15,26,11,13,22,24,9,10,20,21,1,2,8,19,7,30,5,6;33,41,35,38,40,39/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3;1.3,3.3,4.3,5.1/rA:44nC3C3HHNNC3C3C3C3C3HC3HC3HHHC3C3C3C3HC3HC3HHHBHHC3HC3HHC3OO1CHHH/rB:s1;s1;s2;s1;s2;s5s6;s5;s8;s8;s9;s9;s10;s10;s11s13;s11;s13;s15;s6;s19;s19;s20;s20;s21;s21;s22s24;s22;s24;s26;s7;s30;s30;;s33;s33;s35;s33;s35;s38;s38;s39;s41;s41;s41;/rC:-1.4724,-2.7154,.5842;-2.6776,-2.1389,.3772;-1.1404,-3.7394,.4432;-3.6185,-2.5596,.0366;-.6144,-1.7312,1.0408;-2.5569,-.8014,.72;-1.2675,-.5199,1.1317;.7433,-1.9855,1.4008;1.0083,-2.8621,2.454;1.7818,-1.3872,.6905;2.3287,-3.1468,2.7958;.1791,-3.3092,3.0066;3.0978,-1.668,1.0491;1.5824,-.6986,-.133;3.3751,-2.5469,2.0958;2.5389,-3.8321,3.6196;3.9067,-1.191,.4922;4.4098,-2.7651,2.369;-3.6267,.1295,.6267;-4.2948,.2803,-.5902;-4.0211,.8672,1.744;-5.3633,1.1694,-.6867;-3.9635,-.2893,-1.461;-5.0808,1.7628,1.6355;-3.4894,.7373,2.687;-5.7553,1.915,.4237;-5.8827,1.2877,-1.6397;-5.3856,2.3432,2.5085;-6.5873,2.6176,.3451;-.6633,.843,1.4703;-1.3987,1.7682,1.7102;.4907,.8736,1.8177;-.5333,1.4119,-.8813;-.3047,.405,-1.2392;.437,2.3681,-.919;.2246,3.4102,-.6745;-1.5854,1.6896,-.803;1.8253,2.0191,-1.2073;2.6262,3.0997,-1.2116;2.2518,.9016,-1.4268;3.9934,2.8627,-1.4749;4.4357,2.2056,-.7107;4.1332,2.3884,-2.4578;4.4864,3.8417,-1.4562; chk=2Ph_BH2_COOMe_TS.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 12 1 1 14 14 12 12 12 12 12 1 12 1 12 1 1 1 12 12 12 12 1 12 1 12 1 1 1 11 1 1 12 1 12 1 1 12 16 16 12 1 1 1 12.0000000 12.0000000 1.0078250 1.0078250 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 11.0093053 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 0 0 1 1 2 2 0 0 0 0 0 1 0 1 0 1 1 1 0 0 0 0 1 0 1 0 1 1 1 3 1 1 0 1 0 1 1 0 0 0 0 1 1 1 3.6000000 3.6000000 1.0000000 1.0000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 2.7500000 1.0000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 5.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "2Ph_BH2_COOMe_TS.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 1164 A 1024 A 1024 1564 1164 85 84 1917.2177503428 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 -0.0353054885 0.000000 1.351912 0.000000 1.085680 2.220068 0.000000 2.220417 1.085591 2.774560 0.000000 1.383140 2.205256 2.160220 3.274077 0.000000 2.204022 1.385937 3.273300 2.164575 2.177313 0.000000 2.271928 2.275635 3.294721 3.299547 1.379169 1.382472 0.000000 2.471557 3.573996 2.746183 4.606114 1.427436 3.571652 2.502744 0.000000 3.109916 4.292078 3.070877 5.229104 2.430901 4.468112 3.523317 1.395696 0.000000 3.516364 4.533093 3.759454 5.564686 2.445976 4.378117 3.200790 1.393191 2.425632 0.000000 4.418808 5.650547 4.233360 6.582443 3.707569 5.803389 4.754252 2.410072 1.393333 2.797860 0.000000 2.991286 4.055063 2.914977 4.879008 2.642705 4.359246 3.658946 2.156192 1.092211 3.409879 2.166076 0.000000 4.711680 5.833396 4.756149 6.850555 3.712800 5.730198 4.514571 2.401761 2.786733 1.392652 2.414471 3.878765 0.000000 3.730077 4.525744 4.122186 5.526511 2.696354 4.227548 3.123118 2.170904 3.420973 1.091792 3.889583 4.317622 2.152550 0.000000 5.080511 6.305169 4.954164 7.290556 4.206508 6.334690 5.156767 2.779350 2.414409 2.420477 1.394575 3.409606 1.394659 3.405530 0.000000 5.152781 6.371161 4.861678 7.236829 4.583367 6.600000 5.625748 3.399612 2.154574 3.889823 1.091969 2.493609 3.406392 4.981550 2.161695 0.000000 5.591611 6.653109 5.654202 7.662216 4.586175 6.479293 5.256594 3.385819 3.878369 2.143127 3.409087 4.970323 1.091709 2.456705 2.166252 4.315895 0.000000 6.147173 7.388498 5.955099 8.362814 5.298627 7.423591 6.229241 3.871483 3.403904 3.409179 2.158398 4.312960 2.160332 4.303987 1.092135 2.490530 2.500654 0.000000 3.568731 2.471533 4.602503 2.753100 3.564741 1.421162 2.498450 4.916177 5.811346 5.617414 7.134840 5.654385 6.973385 5.328932 7.638463 7.916179 7.649364 8.717707 0.000000 4.280077 3.066536 5.213008 2.985829 4.500165 2.430411 3.573452 5.871957 6.874933 6.430004 8.190304 6.770272 7.818804 5.975688 8.604354 9.018503 8.402377 9.685061 1.396396 0.000000 4.547048 3.565041 5.586651 3.849711 4.341850 2.444735 3.143397 5.563715 6.301335 6.313874 7.585439 6.056235 7.588743 6.113443 8.153740 8.284623 8.285675 9.201277 1.395736 2.422312 0.000000 5.643204 4.392016 6.573068 4.180063 5.826637 3.706582 4.789111 7.183390 8.167893 7.712597 9.482867 8.025962 9.091417 7.213781 9.895082 10.295821 9.638092 10.969499 2.412947 1.393385 2.793021 0.000000 4.034105 2.907485 4.847494 2.741514 4.422029 2.645265 3.747475 5.763707 6.831196 6.232320 8.116504 6.799973 7.619914 5.717336 8.461821 8.980240 8.158847 9.534646 2.155788 1.092073 3.407761 2.164946 0.000000 5.846336 4.752021 6.871811 4.835060 5.701789 3.712607 4.472749 6.929991 7.690065 7.609859 8.963918 7.434480 8.888424 7.320153 9.501981 9.659173 9.529248 10.540905 2.408283 2.787312 1.391709 2.413372 3.879163 0.000000 4.517860 3.777109 5.531104 4.232148 4.131494 2.665786 2.989341 5.194602 5.765402 6.023682 6.996375 5.471245 7.201397 5.978118 7.632642 7.621695 7.952212 8.646687 2.152443 3.405462 1.090316 3.883259 4.299368 2.165579 0.000000 6.309467 5.090039 7.298578 4.973699 6.332818 4.206732 5.154631 7.642009 8.525817 8.233035 9.828561 8.317482 9.571150 7.809176 10.298978 10.584752 10.149170 11.358530 2.785749 2.415226 2.418370 1.393763 3.409099 1.395173 3.412265 0.000000 6.357818 5.107135 7.218011 4.768492 6.637371 4.581925 5.678796 7.991431 9.025884 8.445689 10.332842 8.914344 9.829377 7.870485 10.694231 11.171275 10.320935 11.765676 3.401189 2.153620 3.884831 1.091821 2.490530 3.405230 4.975050 2.160407 0.000000 6.678689 5.653725 7.699628 5.768049 6.443516 4.592266 5.201062 7.584684 8.244983 8.281985 9.472744 7.947506 9.496705 8.048800 10.041532 10.107712 10.144045 11.048182 3.396399 3.879095 2.150558 3.404092 4.970912 1.091786 2.491178 2.160241 4.309199 0.000000 7.393219 6.157177 8.371895 5.975945 7.421010 5.298513 6.225950 8.720101 9.600410 9.284297 10.896321 9.380522 10.614286 8.830049 11.357206 11.645104 11.164668 12.409857 3.877530 3.404871 3.406779 2.158689 4.312373 2.159931 4.314702 1.091786 2.490823 2.489997 0.000000 3.755200 3.760809 4.720248 4.729361 2.610255 2.617790 1.528810 3.159691 4.182065 3.399985 5.160203 4.506730 4.541846 3.160752 5.309529 6.060531 5.096890 6.289808 3.162646 4.213067 3.369021 5.181597 4.556961 4.515281 3.078719 5.307850 6.092023 5.062452 6.285621 0.000000 4.623393 4.321784 5.657366 5.143829 3.648204 2.987486 2.363778 4.332942 5.271342 4.594737 6.263387 5.472713 5.697666 4.286004 6.446560 7.107348 6.195768 7.397515 2.970394 3.986592 2.773067 4.671334 4.568163 3.682862 2.527448 4.544957 5.617776 4.106455 5.431969 1.206011 0.000000 4.272659 4.603034 5.082261 5.643166 2.934260 3.646720 2.346027 2.900339 3.824671 2.836950 4.527531 4.359638 3.721194 2.732923 4.482915 5.439243 4.205731 5.376118 4.350284 5.389886 4.512413 6.374057 5.651729 5.644977 4.076241 6.483878 7.262666 6.096530 7.436953 1.205551 2.093294 0.000000 4.479202 4.334671 5.353319 5.112111 3.685104 3.399633 2.884977 4.287136 5.636266 3.957839 6.518730 6.157231 5.137781 3.080629 6.309558 7.562773 5.326785 7.241900 3.672501 3.938757 4.399218 4.839931 3.872469 5.209300 4.682517 5.406049 5.404361 5.991874 6.293502 2.422890 2.755285 2.936468 0.000000 3.798048 3.836019 4.550296 4.625860 3.139758 3.219700 2.721039 3.712469 5.102746 3.359895 5.985980 5.661839 4.594629 2.450063 5.777292 7.046084 4.824972 6.730138 3.820099 4.044478 4.787969 5.145757 3.730695 5.737478 5.066349 5.895310 5.661673 6.604350 6.846635 2.767992 3.428425 3.193243 1.092729 0.000000 5.634413 5.629686 6.453298 6.453105 4.663781 4.657829 3.930859 4.942593 6.249712 4.301275 6.913267 6.907168 5.219533 3.366680 6.471408 7.966174 5.166968 7.276252 4.890161 5.182314 5.405412 5.927324 5.169066 6.110450 5.574876 6.352357 6.451762 6.756531 7.141433 3.040632 3.262264 3.118693 1.362803 2.122745 0.000000 6.479715 6.349896 7.364069 7.135419 5.484606 5.236333 4.575484 5.804305 7.052957 5.225235 7.711402 7.661836 6.083965 4.361144 7.286148 8.731961 6.007536 8.056884 5.223827 5.498004 5.508320 6.020377 5.643123 6.016389 5.677827 6.261042 6.537266 6.537881 6.933173 3.461106 3.319333 3.566037 2.147241 3.103245 1.091321 0.000000 4.619604 4.152479 5.587925 4.784817 4.005566 3.077088 2.954016 4.877071 6.168752 4.799455 7.187687 6.527973 6.052781 4.023379 7.138462 8.188924 6.335469 8.114665 2.940189 3.061406 3.618816 3.815267 3.162976 4.262530 4.088013 4.352431 4.396460 5.082763 5.215157 2.595153 2.521310 3.441526 1.090951 1.865665 2.136288 2.500595 0.000000 6.041434 6.330499 6.684281 7.221298 5.007104 5.556378 4.635016 4.899959 6.156190 3.899481 6.554770 6.989837 4.506096 2.932381 5.844706 7.618705 4.186280 6.508268 6.054592 6.392154 6.649601 7.257288 6.237211 7.472712 6.712281 7.754790 7.754735 8.118451 8.575523 3.840038 4.355342 3.499146 2.457252 2.672616 1.460281 2.186689 3.450354 0.000000 7.337469 7.622168 7.981201 8.519566 6.238052 6.768642 5.809858 6.019118 7.183178 4.946046 7.427497 8.053362 5.297577 4.084149 6.586692 8.449792 4.790943 7.099164 7.162398 7.499014 7.609599 8.236058 7.414266 8.324122 7.627632 8.621330 8.710256 8.865669 9.356470 4.806901 5.148753 4.323525 3.597292 3.981463 2.326720 2.480462 4.460143 1.345095 0.000000 5.567376 6.066089 6.045058 6.970089 4.608240 5.534631 4.577370 4.313473 5.547271 3.153121 5.850304 6.456152 3.667204 2.163911 5.055960 6.925058 3.286348 5.701705 6.274464 6.628973 7.028765 7.655587 6.328394 7.992846 7.064786 8.280371 8.146464 8.711698 9.176750 4.110233 4.890555 3.691705 2.883506 2.610967 2.387862 3.311899 3.966608 1.216036 2.240145 0.000000 8.076490 8.540997 8.580411 9.467233 6.976057 7.819859 6.776033 6.506780 7.557821 5.257539 7.558084 8.527945 5.263033 4.505169 6.511217 8.537565 4.506604 6.827931 8.363799 8.726178 8.864294 9.541283 8.558491 9.655360 8.822220 9.977020 10.002344 10.203099 10.738893 5.868431 6.357498 5.202577 4.790496 4.956755 3.633480 3.891638 5.740303 2.341824 1.412403 2.623287 0.000000 7.797285 8.405742 8.232109 9.388100 6.638517 7.745006 6.584051 5.971392 6.887943 4.681294 6.736709 7.896217 4.459952 4.112082 5.620266 7.668315 3.641943 5.847452 8.432092 8.941046 8.906932 9.853592 8.793933 9.811412 8.746830 10.258044 10.400750 10.336290 11.081054 5.710760 6.331810 4.871308 5.034882 5.098265 4.007441 4.380174 6.043853 2.663743 2.079593 2.642480 1.100625 0.000000 8.168510 8.655654 8.589345 9.528611 7.193863 8.064167 7.107133 6.746213 7.839563 5.449396 7.841908 8.829374 5.461170 4.630412 6.757764 8.841465 4.643912 7.066320 8.650577 8.886119 9.298473 9.736805 8.586018 10.101703 9.343419 10.310676 10.109407 10.736564 11.083205 6.389428 6.954063 5.817433 5.021507 5.011329 4.003812 4.416098 5.994105 2.650770 2.080906 2.610243 1.100324 1.782556 0.000000 9.092066 9.510623 9.630288 10.435332 7.956850 8.712235 7.670045 7.491996 8.504597 6.266142 8.460195 9.466037 6.209760 5.549640 7.393640 9.404471 5.427751 7.634621 9.161962 9.515437 9.563833 10.234727 9.405650 10.267062 9.508817 10.589609 10.680667 10.743431 11.285845 6.639011 6.997166 5.957691 5.606484 5.900209 4.342629 4.354411 6.474990 3.235058 2.017647 3.693067 1.096275 1.798659 1.800041 0.000000 C19H20BN2O2(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 0 299.0264999999999 AuxInfo=1/0/N:15,26,11,13,22,24,9,10,20,21,1,2,8,19,7,30,5,6;33,41,35,38,40,39/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3;1.3,3.3,4.3,5.1/rA:44nC3C3HHNNC3C3C3C3C3HC3HC3HHHC3C3C3C3HC3HC3HHHBHHC3HC3HHC3OO1CHHH/rB:s1;s1;s2;s1;s2;s5s6;s5;s8;s8;s9;s9;s10;s10;s11s13;s11;s13;s15;s6;s19;s19;s20;s20;s21;s21;s22s24;s22;s24;s26;s7;s30;s30;;s33;s33;s35;s33;s35;s38;s38;s39;s41;s41;s41;/rC:-.6025,2.5024,1.2829;-1.8682,2.0272,1.2784;-.1372,3.2803,1.8805;-2.7393,2.3175,1.8575;.1106,1.793,.3335;-1.9296,1.0329,.3148;-.6965,.862,-.2862;1.4824,2.0509,.0347;1.8382,3.3023,-.4705;2.4481,1.0751,.272;3.1774,3.5813,-.7356;1.0634,4.0478,-.6624;3.7821,1.3595,-.0091;2.1772,.0931,.6649;4.1505,2.6085,-.5086;3.4585,4.5595,-1.1311;4.5328,.5883,.1736;5.1991,2.8254,-.7233;-3.1095,.295,.0267;-3.7671,-.371,1.063;-3.6189,.2555,-1.2722;-4.9401,-1.0747,.7981;-3.347,-.3473,2.0708;-4.7839,-.4606,-1.5306;-3.0939,.7813,-2.07;-5.4481,-1.1245,-.4988;-5.4515,-1.5967,1.6093;-5.1791,-.4952,-2.5478;-6.3628,-1.6831,-.7072;-.2818,-.2062,-1.2982;-1.1362,-.8082,-1.9001;.8512,-.1789,-1.7092;-.18,-1.8787,.4518;.1849,-1.2128,1.2376;.6579,-2.8214,-.0642;.3067,-3.5758,-.7703;-1.2607,-1.9705,.3339;2.0854,-2.8073,.2433;2.7386,-3.8232,-.349;2.6581,-1.9977,.947;4.1301,-3.8909,-.1164;4.6388,-2.9905,-.4932;4.3501,-3.9853,.9575;4.4908,-4.7759,-.6535; 0.2914706 0.1647185 0.1150618 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1143 1134 1137 1139 1143 MxSgAt= 44 MxSgA2= 44. 1 open 1 1 1 -1020.32826716249 -1020.58121006182 -0.252942899336 -1020.84241567036 -0.261205608538 -1020.84269654728 -0.000280876919 -1020.84274909765 -0.000052550372 -1020.84276439986 -0.000015302208 -1020.84276552723 -0.000001127369 -1020.84276595521 -0.000000427976 -1020.84276618076 -0.000000225552 -1020.84276629368 -0.000000112926 -1020.84276631424 -0.000000020558 -1020.84276631855 -0.000000004311 -1020.84276631990 -0.000000001349 -1020.84276632034 -0.000000000439 -1020.84276632056 -0.000000000222 -1020.84276632062 -0.000000000060 -1020.84276632 16 0.7769 1.015327079594e+03 -6.209180794289e+03 2.255828503521e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1570129306 LenY= 1568773246 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. 0.7769 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 C H H N N C C C C C H C H C H H H C C C C H C H C H H H B H H C H C H H C O O C H H H 13 13 1 1 14 14 13 13 13 13 13 1 13 1 13 1 1 1 13 13 13 13 1 13 1 13 1 1 1 11 1 1 13 1 13 1 1 13 17 17 13 1 1 1 -0.00440 -0.00318 -0.00029 -0.00054 0.02100 0.01907 -0.01839 -0.00467 0.00398 0.00162 -0.00001 -0.00015 -0.00037 -0.00010 0.00036 0.00011 0.00013 -0.00008 -0.00524 0.00477 0.00166 -0.00066 -0.00021 -0.00097 -0.00020 0.00089 0.00014 0.00021 -0.00016 0.02148 -0.00671 -0.00573 -0.01821 0.00406 0.01704 -0.00429 0.00475 -0.01334 0.00108 0.00692 -0.00089 0.00064 0.00060 -0.00000 -4.94825 -3.57987 -1.31709 -2.41011 6.78618 6.16283 -20.67211 -5.25149 4.47986 1.82659 -0.01035 -0.69121 -0.41206 -0.43178 0.39978 0.47148 0.57788 -0.33705 -5.89293 5.35979 1.86447 -0.74575 -0.95304 -1.08871 -0.89987 0.99911 0.60401 0.92759 -0.71822 30.81218 -30.01424 -25.59029 -20.46735 18.12782 19.15752 -19.19797 21.21794 -15.00225 -0.65297 -4.19432 -0.99914 2.84513 2.69095 -0.02025 -1.76566 -1.27739 -0.46997 -0.85999 2.42148 2.19905 -7.37632 -1.87386 1.59852 0.65177 -0.00369 -0.24664 -0.14703 -0.15407 0.14265 0.16824 0.20620 -0.12027 -2.10274 1.91251 0.66529 -0.26610 -0.34007 -0.38848 -0.32109 0.35651 0.21553 0.33099 -0.25628 10.99455 -10.70983 -9.13125 -7.30326 6.46846 6.83588 -6.85031 7.57109 -5.35318 -0.23299 -1.49664 -0.35652 1.01521 0.96020 -0.00722 -1.65056 -1.19411 -0.43933 -0.80393 2.26363 2.05570 -6.89547 -1.75171 1.49432 0.60929 -0.00345 -0.23056 -0.13745 -0.14403 0.13335 0.15727 0.19276 -0.11243 -1.96567 1.78783 0.62192 -0.24875 -0.31790 -0.36316 -0.30016 0.33327 0.20148 0.30941 -0.23957 10.27784 -10.01167 -8.53600 -6.82717 6.04679 6.39026 -6.40375 7.07754 -5.00421 -0.21781 -1.39907 -0.33328 0.94903 0.89760 -0.00675 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 -0.007834 -0.014346 -0.001667 0.001593 -0.140951 -0.138845 -0.054612 0.006727 -0.003164 -0.000894 0.002447 -0.000946 0.002851 0.001940 -0.001664 0.000341 0.001480 0.000982 0.005463 0.005851 -0.000849 0.001777 0.000278 0.002401 0.003496 -0.000040 0.000855 0.001219 0.001353 -0.098262 -0.004164 0.010401 0.063290 0.001078 -0.163535 -0.015216 -0.008040 -0.006330 -0.036896 -0.113200 0.001805 0.002164 0.001389 0.001050 0.001617 0.003024 0.001440 -0.001710 0.053750 0.066992 -0.021463 0.002356 0.005515 0.005902 0.000960 0.002860 0.000293 0.001009 -0.002715 0.000308 -0.000306 -0.000447 -0.007666 -0.001273 -0.002757 -0.003527 -0.001484 -0.003823 -0.002699 0.007041 -0.000474 -0.000629 -0.000119 0.051682 0.002401 -0.008014 -0.027606 0.001798 0.034294 0.008620 0.005960 -0.002378 0.000106 0.005237 -0.000538 -0.000868 -0.000381 -0.000065 0.006217 0.011322 0.000227 0.000117 0.087202 0.071853 0.076075 -0.009084 -0.002351 -0.005008 -0.003407 -0.001913 -0.003144 -0.002949 0.004378 -0.000649 -0.001174 -0.000534 0.002203 -0.004578 0.003606 0.001750 0.001206 0.001422 -0.000797 -0.007001 -0.000381 -0.000589 -0.001234 0.046579 0.001764 -0.002387 -0.035684 -0.002876 0.129241 0.006596 0.002081 0.008707 0.036790 0.107963 -0.001267 -0.001296 -0.001008 -0.000985 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 -0.003116 -0.008399 0.001484 -0.002438 -0.090172 -0.081086 -0.009335 0.002696 0.006246 -0.003122 0.001459 0.001581 0.001054 -0.000331 0.001180 0.000774 0.000801 0.000702 0.009128 -0.006859 -0.005291 0.005012 0.000758 0.004485 -0.000150 -0.007302 0.000560 0.000533 0.000648 -0.044171 0.008972 -0.003278 -0.015736 -0.004931 0.055272 0.014303 -0.002232 0.003090 0.011049 0.023876 -0.001435 -0.000648 -0.001442 -0.001415 0.002074 0.006296 0.001061 -0.003282 0.099241 0.077257 0.020127 -0.000904 0.001424 0.000585 -0.000150 -0.000271 0.000239 0.002897 0.000964 -0.000129 0.000161 -0.000139 -0.000260 -0.008736 -0.004640 0.000600 -0.002052 0.001555 0.002275 -0.000783 -0.000279 0.000628 0.000263 0.040200 0.016149 -0.013368 0.001593 -0.002355 -0.060836 0.008937 -0.001232 0.003134 -0.019754 -0.032394 -0.000190 -0.000577 0.000921 -0.000387 -0.006410 -0.019225 0.002825 0.000993 -0.242451 -0.235624 -0.071717 -0.000495 0.004644 0.005338 -0.001133 -0.000640 -0.001215 0.000118 0.001717 -0.000214 -0.000034 0.000042 0.000449 0.004031 0.008704 -0.001373 -0.000679 -0.001491 -0.000806 0.001513 -0.000077 0.000112 0.000292 -0.152371 0.001721 -0.009540 0.096274 -0.006307 -0.255988 0.007473 -0.002085 -0.016009 -0.064127 -0.166240 -0.000101 0.000194 -0.000242 0.000213 0.96 0.2798 -0.0132 -0.2147 0.7651 0.6071 0.1799 -0.58 0.7945 -0.0088 -0.0026 0.0114 -1.177 -0.348 1.525 -0.42 -0.124 0.544 -0.393 -0.116 0.509 1 C 13 0.8838 0.455 0.109 -0.4085 0.6368 0.6539 0.2282 -0.6225 0.7486 -0.0179 -0.0113 0.0292 -2.401 -1.521 3.922 -0.857 -0.543 1.399 -0.801 -0.507 1.308 2 C 13 0.865 -0.473 0.1673 -0.4074 -0.4675 0.7845 0.2929 0.7468 0.5971 -0.0023 -0.002 0.0043 -1.213 -1.071 2.284 -0.433 -0.382 0.815 -0.405 -0.357 0.762 3 H 1 0.6057 0.6988 0.3806 0.258 -0.6249 0.7368 0.7527 -0.3481 -0.5588 -0.0033 -0.0019 0.0052 -1.751 -1.0 2.751 -0.625 -0.357 0.982 -0.584 -0.334 0.918 4 H 1 0.9209 -0.0467 -0.3871 0.2875 0.7519 0.5933 0.2634 -0.6576 0.7058 -0.1781 -0.172 0.3501 -6.869 -6.634 13.503 -2.451 -2.367 4.818 -2.291 -2.213 4.504 5 N 14 0.6476 0.6381 0.4164 0.7259 -0.3507 -0.5916 0.2315 -0.6854 0.6904 -0.1691 -0.1626 0.3317 -6.52 -6.272 12.793 -2.327 -2.238 4.565 -2.175 -2.092 4.267 6 N 14 -0.4182 0.7765 0.4713 0.8993 0.4271 0.0942 0.1281 -0.4632 0.8769 -0.06 -0.0569 0.1169 -8.046 -7.64 15.686 -2.871 -2.726 5.597 -2.684 -2.549 5.232 7 C 13 0.0516 0.0308 0.9982 -0.431 0.9023 -0.0056 0.9009 0.4299 -0.0599 -0.0091 0.0011 0.0081 -1.227 0.144 1.083 -0.438 0.051 0.387 -0.409 0.048 0.361 8 C 13 0.8013 -0.5212 0.2938 -0.4279 -0.1561 0.8902 0.4181 0.8391 0.3481 -0.0067 -0.0038 0.0106 -0.9 -0.517 1.416 -0.321 -0.184 0.505 -0.3 -0.172 0.472 9 C 13 -0.263 -0.4053 0.8755 0.9264 0.1474 0.3465 -0.2695 0.9022 0.3367 -0.0077 -0.0012 0.0088 -1.027 -0.157 1.184 -0.367 -0.056 0.423 -0.343 -0.052 0.395 10 C 13 -0.035 0.2469 0.9684 -0.5534 0.8021 -0.2245 0.8322 0.5437 -0.1086 -0.0037 3.0E-4 0.0034 -0.495 0.036 0.459 -0.177 0.013 0.164 -0.165 0.012 0.153 11 C 13 0.1147 0.0929 0.989 0.9342 -0.3488 -0.0756 0.3379 0.9326 -0.1268 -0.002 -0.0015 0.0035 -1.07 -0.808 1.878 -0.382 -0.288 0.67 -0.357 -0.27 0.626 12 H 1 -0.0875 0.3199 0.9434 -0.3389 0.881 -0.3301 0.9368 0.3486 -0.0313 -0.0036 3.0E-4 0.0032 -0.48 0.046 0.434 -0.171 0.016 0.155 -0.16 0.015 0.145 13 C 13 -0.4223 -0.0463 0.9053 0.0788 0.993 0.0876 0.903 -0.1083 0.4157 -0.0043 0.001 0.0033 -2.298 0.53 1.768 -0.82 0.189 0.631 -0.766 0.177 0.59 14 H 1 -0.4666 0.8746 -0.1318 0.8658 0.4212 -0.2701 0.1807 0.2401 0.9538 -0.0036 -0.0014 0.005 -0.484 -0.187 0.67 -0.173 -0.067 0.239 -0.161 -0.062 0.224 15 C 13 -0.0788 0.2656 0.9609 0.7053 -0.6663 0.242 0.7045 0.6968 -0.1348 -7.0E-4 -4.0E-4 0.0011 -0.372 -0.232 0.604 -0.133 -0.083 0.215 -0.124 -0.077 0.201 16 H 1 -0.0968 0.125 0.9874 -0.3452 0.9263 -0.1511 0.9335 0.3555 0.0465 -0.0012 -6.0E-4 0.0018 -0.637 -0.32 0.957 -0.227 -0.114 0.341 -0.212 -0.107 0.319 17 H 1 -0.3706 0.8519 -0.3701 -0.0857 0.3654 0.9269 0.9248 0.3752 -0.0624 -8.0E-4 -5.0E-4 0.0013 -0.411 -0.269 0.681 -0.147 -0.096 0.243 -0.137 -0.09 0.227 18 H 1 -0.4559 0.8893 -0.0356 -0.0133 0.0331 0.9994 0.8899 0.4561 -0.0033 -0.0124 0.0022 0.0101 -1.659 0.298 1.361 -0.592 0.106 0.486 -0.553 0.099 0.454 19 C 13 0.4857 -0.0231 0.8738 0.3987 0.8955 -0.1979 0.7779 -0.4445 -0.4441 -0.0095 -0.0052 0.0148 -1.28 -0.7 1.98 -0.457 -0.25 0.707 -0.427 -0.234 0.661 20 C 13 0.2678 0.8408 -0.4704 0.8553 0.0173 0.5179 -0.4436 0.541 0.7145 -0.0093 -0.0038 0.0131 -1.25 -0.505 1.755 -0.446 -0.18 0.626 -0.417 -0.169 0.585 21 C 13 -0.5058 0.8455 0.1712 0.1467 -0.1112 0.9829 0.8501 0.5223 -0.0678 -0.0068 0.002 0.0048 -0.913 0.268 0.645 -0.326 0.096 0.23 -0.305 0.089 0.215 22 C 13 -0.4143 0.9067 -0.0787 0.6701 0.3624 0.6478 -0.6159 -0.2156 0.7577 -0.0018 -0.0013 0.0031 -0.945 -0.692 1.636 -0.337 -0.247 0.584 -0.315 -0.231 0.546 23 H 1 -0.4625 0.852 0.2453 -0.0817 -0.3165 0.9451 0.8829 0.417 0.216 -0.0067 0.0018 0.0049 -0.897 0.24 0.658 -0.32 0.086 0.235 -0.299 0.08 0.219 24 C 13 -0.1339 0.8852 0.4456 -0.384 -0.4608 0.8001 0.9136 -0.064 0.4016 -0.0031 -0.0014 0.0045 -1.644 -0.76 2.404 -0.587 -0.271 0.858 -0.549 -0.253 0.802 25 H 1 0.0015 -0.1052 0.9945 0.8492 0.5253 0.0542 -0.5281 0.8444 0.0901 -0.0072 -0.0046 0.0118 -0.961 -0.618 1.579 -0.343 -0.221 0.564 -0.321 -0.206 0.527 26 C 13 -0.356 0.9298 -0.0936 0.1446 0.1538 0.9775 0.9232 0.3345 -0.1892 -7.0E-4 -4.0E-4 0.0011 -0.363 -0.232 0.595 -0.129 -0.083 0.212 -0.121 -0.077 0.198 27 H 1 -0.3736 0.612 0.6971 0.006 0.7531 -0.6579 0.9276 0.2416 0.2851 -8.0E-4 -7.0E-4 0.0016 -0.442 -0.386 0.827 -0.158 -0.138 0.295 -0.147 -0.129 0.276 28 H 1 -0.0442 -0.2151 0.9756 -0.3779 0.9076 0.1829 0.9248 0.3606 0.1214 -0.0013 -3.0E-4 0.0016 -0.699 -0.176 0.875 -0.249 -0.063 0.312 -0.233 -0.059 0.292 29 H 1 0.9364 0.3393 0.0895 -0.2961 0.6271 0.7205 -0.1883 0.7012 -0.6876 -0.1104 -0.1025 0.213 -18.906 -17.557 36.463 -6.746 -6.265 13.011 -6.306 -5.856 12.163 30 B 11 0.7735 -0.2748 -0.5712 -0.0614 0.8644 -0.499 0.6308 0.421 0.6517 -0.0193 8.0E-4 0.0185 -10.285 0.411 9.875 -3.67 0.147 3.523 -3.431 0.137 3.294 31 H 1 0.3675 0.6575 0.6578 -0.4299 0.7473 -0.5067 0.8247 0.0965 -0.5572 -0.0194 3.0E-4 0.0191 -10.346 0.182 10.164 -3.692 0.065 3.627 -3.451 0.061 3.39 32 H 1 -0.0628 -0.6932 0.718 0.717 0.4691 0.5155 0.6942 -0.5472 -0.4676 -0.1288 0.0541 0.0746 -17.278 7.265 10.013 -6.165 2.592 3.573 -5.763 2.423 3.34 33 C 13 0.4241 0.5756 0.6992 0.7759 0.1672 -0.6083 -0.467 0.8005 -0.3757 -0.0095 0.0019 0.0076 -5.067 0.993 4.073 -1.808 0.354 1.453 -1.69 0.331 1.359 34 H 1 -0.5939 0.674 0.4393 0.7892 0.382 0.481 -0.1564 -0.6323 0.7587 -0.1813 -0.1739 0.3551 -24.323 -23.331 47.654 -8.679 -8.325 17.004 -8.113 -7.782 15.896 35 C 13 0.9106 -0.3708 -0.1824 -0.078 -0.5877 0.8053 0.4058 0.7191 0.5641 -0.0228 3.0E-4 0.0226 -12.181 0.148 12.033 -4.346 0.053 4.294 -4.063 0.049 4.014 36 H 1 0.9746 0.1701 0.1454 -0.1963 0.338 0.9204 -0.1074 0.9256 -0.3628 -0.0086 0.0016 0.007 -4.596 0.842 3.754 -1.64 0.3 1.34 -1.533 0.281 1.252 37 H 1 -0.4178 0.7349 0.5341 0.908 0.3568 0.2194 0.0293 -0.5767 0.8164 -0.0158 -0.0044 0.0201 -2.116 -0.585 2.701 -0.755 -0.209 0.964 -0.706 -0.195 0.901 38 C 13 0.3324 0.7184 0.6111 0.9267 -0.3692 -0.0701 -0.1753 -0.5896 0.7884 -0.0493 -0.0398 0.0891 3.57 2.88 -6.45 1.274 1.028 -2.302 1.191 0.961 -2.151 39 O 17 0.9928 -0.0393 0.1135 -0.0355 0.8067 0.59 -0.1147 -0.5897 0.7994 -0.1178 -0.1174 0.2352 8.527 8.494 -17.022 3.043 3.031 -6.074 2.844 2.833 -5.678 40 O 17 0.3018 0.5779 0.7582 0.3041 0.6954 -0.6511 0.9036 -0.4271 -0.0341 -0.0014 -0.0011 0.0025 -0.191 -0.144 0.334 -0.068 -0.051 0.119 -0.064 -0.048 0.111 41 C 13 0.1195 -0.2062 0.9712 0.2291 0.9575 0.1751 0.966 -0.2016 -0.1617 -0.0014 -0.001 0.0024 -0.751 -0.527 1.278 -0.268 -0.188 0.456 -0.251 -0.176 0.426 42 H 1 -0.4814 -0.4817 0.7323 0.2097 0.7479 0.6298 0.8511 -0.4567 0.2591 -0.0015 -0.001 0.0024 -0.776 -0.527 1.303 -0.277 -0.188 0.465 -0.259 -0.176 0.435 43 H 1 PT14761.500S 2025-07-13T12:30:05.000 -19.27811 -19.21107 -14.51079 -14.50767 -10.39029 -10.35158 -10.35013 -10.33828 -10.33738 -10.33729 -10.32444 -10.31021 -10.30776 -10.30688 -10.30609 -10.30515 -10.29980 -10.29649 -10.29400 -10.29079 -10.28746 -10.28618 -10.27443 -6.79497 -1.19423 -1.15596 -1.09814 -1.05817 -0.97595 -0.95644 -0.89587 -0.87521 -0.86829 -0.86151 -0.85059 -0.84345 -0.81061 -0.76870 -0.74144 -0.71789 -0.71061 -0.70497 -0.69236 -0.68527 -0.66091 -0.63041 -0.62470 -0.59729 -0.58855 -0.58177 -0.57495 -0.57190 -0.56105 -0.55930 -0.55731 -0.55158 -0.55018 -0.53203 -0.52672 -0.52340 -0.52006 -0.51836 -0.50370 -0.48291 -0.47966 -0.47304 -0.46549 -0.45875 -0.44984 -0.44848 -0.44450 -0.43459 -0.42657 -0.42531 -0.40858 -0.38528 -0.37595 -0.37136 -0.34996 -0.34757 -0.34681 -0.33543 -0.33137 -0.32904 -0.19641 0.02316 0.03849 0.04129 0.05074 0.05459 0.08146 0.11302 0.12239 0.12670 0.12914 0.13656 0.14131 0.14594 0.14752 0.15334 0.16189 0.16373 0.16685 0.17081 0.17855 0.18244 0.18367 0.18505 0.19059 0.19269 0.19589 0.20313 0.20676 0.21044 0.21485 0.21977 0.22632 0.23215 0.23706 0.25053 0.25441 0.25769 0.26156 0.26715 0.27095 0.27283 0.27514 0.27937 0.28284 0.29384 0.29616 0.29802 0.30272 0.30478 0.30910 0.31144 0.31473 0.31763 0.32096 0.32170 0.32402 0.33246 0.33851 0.33950 0.34789 0.35015 0.35392 0.35759 0.36514 0.36723 0.37026 0.38581 0.38740 0.39169 0.39681 0.40012 0.40170 0.40386 0.40463 0.41073 0.41245 0.41792 0.42262 0.43027 0.43153 0.43648 0.43933 0.44205 0.44409 0.45068 0.45222 0.45694 0.45785 0.46314 0.46456 0.47033 0.47415 0.47957 0.48239 0.48526 0.48709 0.48978 0.49152 0.50061 0.50188 0.50453 0.50818 0.51555 0.51877 0.52222 0.52818 0.52859 0.53355 0.53690 0.53939 0.54130 0.54541 0.55015 0.55680 0.55961 0.56353 0.56802 0.57239 0.57508 0.57766 0.58228 0.58693 0.59267 0.59721 0.60053 0.60153 0.61081 0.61860 0.61958 0.62331 0.63345 0.63389 0.64894 0.65193 0.66101 0.66183 0.66421 0.67065 0.67412 0.68720 0.69006 0.69739 0.70436 0.70703 0.71058 0.71982 0.72350 0.72572 0.72916 0.73771 0.74221 0.74539 0.74977 0.75464 0.75771 0.76297 0.76657 0.77003 0.77100 0.77770 0.78292 0.78631 0.78830 0.79297 0.79999 0.80941 0.81368 0.82305 0.82407 0.83029 0.83193 0.83609 0.84851 0.85213 0.86012 0.86335 0.86551 0.87128 0.87888 0.88912 0.89413 0.89475 0.90403 0.91238 0.91859 0.92564 0.92993 0.93455 0.93904 0.94228 0.95112 0.95759 0.96285 0.97308 0.97492 0.97880 0.98237 0.99210 0.99559 1.00349 1.00722 1.00808 1.01371 1.02018 1.02292 1.02845 1.03182 1.03300 1.04643 1.05287 1.05691 1.05754 1.06449 1.06718 1.07126 1.07159 1.07474 1.08322 1.08975 1.10135 1.10958 1.11269 1.11810 1.12131 1.12578 1.12949 1.13866 1.14451 1.15071 1.15889 1.15941 1.16567 1.17001 1.17257 1.18487 1.18995 1.19689 1.19897 1.20161 1.20524 1.21253 1.21519 1.23132 1.23398 1.23834 1.24299 1.25093 1.25333 1.25813 1.26350 1.27536 1.27932 1.28372 1.28938 1.29450 1.29572 1.30240 1.30767 1.31415 1.31785 1.31985 1.32191 1.33203 1.33730 1.35020 1.35252 1.35700 1.36096 1.36557 1.37270 1.38387 1.38939 1.39068 1.39538 1.39983 1.40595 1.40750 1.41224 1.41460 1.42112 1.42840 1.43127 1.43416 1.44141 1.44614 1.44789 1.45590 1.45642 1.45854 1.46628 1.47321 1.48461 1.49076 1.49800 1.50095 1.51037 1.51810 1.52368 1.52812 1.53402 1.53959 1.54485 1.55037 1.55521 1.56055 1.56554 1.56959 1.57746 1.58453 1.58669 1.59221 1.59739 1.60525 1.61145 1.61972 1.62377 1.62509 1.63333 1.63857 1.64490 1.65287 1.66347 1.66905 1.67781 1.67844 1.68390 1.69634 1.70417 1.70827 1.71432 1.71627 1.72398 1.72688 1.73418 1.73785 1.74822 1.75865 1.76089 1.76474 1.77238 1.77928 1.78469 1.79479 1.80687 1.81004 1.81586 1.82459 1.82831 1.83857 1.84428 1.85121 1.85858 1.87081 1.87161 1.88215 1.89165 1.89879 1.90684 1.91486 1.92013 1.92893 1.93255 1.94576 1.95172 1.96481 1.97777 1.97973 1.99956 2.00608 2.01122 2.01620 2.02112 2.03131 2.04506 2.05217 2.05884 2.06261 2.07243 2.07309 2.08324 2.09082 2.09427 2.10106 2.10676 2.11621 2.12355 2.13482 2.13875 2.14632 2.15326 2.16573 2.18325 2.19097 2.19639 2.20753 2.20986 2.22307 2.23675 2.24157 2.25112 2.26028 2.26727 2.28444 2.29017 2.30948 2.31698 2.33210 2.33435 2.34802 2.35239 2.36167 2.36907 2.38413 2.38527 2.39696 2.40068 2.40888 2.42326 2.43143 2.43567 2.44575 2.45044 2.46713 2.46919 2.47796 2.48090 2.48526 2.49724 2.50015 2.51430 2.52254 2.54681 2.54823 2.56003 2.57201 2.58869 2.59786 2.61405 2.61584 2.63157 2.64355 2.65714 2.66078 2.67034 2.67909 2.69313 2.70998 2.72106 2.72804 2.74103 2.74812 2.75256 2.75890 2.76991 2.77541 2.78169 2.79006 2.79486 2.80029 2.80264 2.80740 2.80992 2.82156 2.82375 2.82883 2.83464 2.84197 2.84978 2.85399 2.86732 2.87021 2.87400 2.88367 2.88757 2.89131 2.89414 2.89819 2.90376 2.90576 2.91168 2.91699 2.92696 2.93395 2.93651 2.94508 2.94966 2.96110 2.97390 2.98286 2.98581 2.99147 2.99573 3.01040 3.01464 3.02055 3.02369 3.02624 3.03748 3.04404 3.04615 3.05764 3.05844 3.06867 3.07179 3.08015 3.08575 3.08850 3.09311 3.09771 3.10062 3.10431 3.10885 3.11024 3.11282 3.11906 3.12406 3.12768 3.13157 3.13516 3.14086 3.14430 3.15152 3.15498 3.15611 3.16277 3.16793 3.18220 3.18385 3.19102 3.19832 3.20012 3.21027 3.21656 3.22207 3.22753 3.23541 3.24072 3.24294 3.24652 3.25031 3.25153 3.25434 3.25815 3.26825 3.27335 3.27594 3.28109 3.28991 3.29114 3.29907 3.30377 3.31101 3.31520 3.31955 3.32376 3.33166 3.33862 3.34311 3.35121 3.35744 3.35990 3.36890 3.37535 3.37833 3.38060 3.38601 3.39391 3.39657 3.40296 3.40696 3.41186 3.41419 3.42233 3.42344 3.42867 3.43173 3.43662 3.44027 3.44130 3.45251 3.45566 3.46121 3.47036 3.47495 3.47855 3.48191 3.49079 3.49498 3.49949 3.50383 3.51095 3.52567 3.52933 3.53068 3.53706 3.54423 3.54502 3.54808 3.55461 3.55937 3.56500 3.56847 3.57938 3.58155 3.58775 3.58924 3.59449 3.59825 3.60351 3.61121 3.61472 3.62061 3.62258 3.63111 3.63834 3.64896 3.65228 3.65738 3.66499 3.67337 3.68485 3.69134 3.70104 3.71067 3.71657 3.72459 3.73382 3.74335 3.75744 3.75944 3.76483 3.77273 3.77437 3.78344 3.78954 3.79465 3.80396 3.81742 3.82351 3.82901 3.83564 3.84179 3.84284 3.84438 3.84611 3.85056 3.85530 3.85757 3.86309 3.87055 3.87736 3.88167 3.88408 3.89140 3.89398 3.89804 3.90682 3.91086 3.91200 3.91635 3.92223 3.92728 3.93100 3.93560 3.93814 3.94406 3.95027 3.95463 3.96036 3.97294 3.97765 3.99287 3.99587 3.99845 4.01573 4.01812 4.02473 4.03135 4.03761 4.03902 4.04073 4.05344 4.07378 4.07588 4.08777 4.09014 4.09577 4.11108 4.11837 4.12271 4.13603 4.14298 4.14563 4.15539 4.15944 4.16991 4.17596 4.17788 4.18817 4.19331 4.19873 4.20273 4.20889 4.21150 4.21734 4.23212 4.23661 4.24368 4.25101 4.25518 4.26282 4.27303 4.28289 4.28755 4.29077 4.29446 4.29964 4.30888 4.31009 4.31292 4.31976 4.32775 4.33032 4.33395 4.33896 4.34176 4.35127 4.35412 4.36236 4.36804 4.37777 4.38000 4.38895 4.39228 4.39942 4.40445 4.41543 4.41843 4.42665 4.44166 4.44796 4.45119 4.46581 4.47241 4.47680 4.49351 4.50081 4.51668 4.51952 4.52241 4.53967 4.54456 4.55645 4.57510 4.58692 4.59469 4.60777 4.62318 4.63123 4.63486 4.63776 4.64998 4.66013 4.67316 4.69067 4.69400 4.69970 4.71311 4.72054 4.73428 4.74069 4.75047 4.75698 4.76147 4.76561 4.77633 4.78642 4.78798 4.79407 4.80601 4.81012 4.81517 4.81965 4.82707 4.83008 4.83932 4.85423 4.86180 4.87278 4.88262 4.88754 4.89741 4.91350 4.91801 4.92946 4.93777 4.95911 4.96337 4.96573 4.98722 4.99701 4.99937 5.00961 5.00998 5.02731 5.03341 5.04221 5.04785 5.05851 5.06748 5.07321 5.08839 5.10217 5.11198 5.11845 5.13689 5.15478 5.15795 5.16238 5.16573 5.18085 5.19163 5.20650 5.23478 5.24535 5.25636 5.26597 5.27003 5.28186 5.28841 5.30122 5.31019 5.31987 5.32867 5.32933 5.34122 5.34617 5.35419 5.37040 5.37952 5.38269 5.39524 5.41467 5.42544 5.43628 5.44688 5.45258 5.46091 5.46605 5.47310 5.48916 5.50544 5.50859 5.51260 5.52947 5.53599 5.56251 5.57533 5.59635 5.59888 5.60698 5.62136 5.63339 5.63982 5.65630 5.67715 5.70661 5.70823 5.72763 5.73140 5.73427 5.75647 5.78622 5.80355 5.81659 5.82296 5.83870 5.85060 5.86263 5.88030 5.90039 5.93631 5.98156 6.04249 6.06723 6.06923 6.09749 6.15744 6.16561 6.18368 6.19287 6.22266 6.24282 6.25236 6.28196 6.30913 6.33255 6.43573 6.44916 6.52407 6.55366 6.62061 6.65893 6.70356 6.81389 6.82987 6.84996 6.85769 6.95185 7.05880 7.11087 7.22122 7.31281 7.52447 7.58297 15.95629 22.84471 22.87026 22.96139 23.12036 23.20957 23.24277 23.26483 23.27981 23.28721 23.30521 23.35856 23.37679 23.40034 23.44139 23.65216 23.71420 23.79947 24.10073 24.11843 33.33510 33.49648 44.11971 44.37899 -19.27761 -19.20974 -14.50825 -14.50498 -10.39038 -10.35102 -10.35034 -10.33811 -10.33745 -10.33729 -10.32446 -10.31002 -10.30783 -10.30674 -10.30610 -10.30504 -10.29966 -10.29652 -10.29395 -10.29082 -10.28780 -10.28733 -10.27085 -6.79251 -1.19281 -1.15185 -1.09569 -1.05332 -0.97555 -0.95572 -0.89430 -0.87002 -0.86710 -0.86030 -0.85026 -0.84276 -0.81078 -0.76626 -0.74056 -0.71734 -0.70881 -0.70174 -0.69129 -0.68076 -0.65943 -0.62880 -0.62406 -0.59675 -0.58501 -0.57728 -0.57313 -0.56511 -0.55839 -0.55656 -0.55387 -0.54961 -0.54913 -0.53138 -0.52526 -0.52270 -0.51913 -0.51654 -0.50303 -0.48148 -0.47807 -0.46761 -0.46424 -0.45828 -0.44870 -0.44681 -0.44403 -0.43313 -0.42486 -0.42147 -0.39812 -0.38270 -0.36981 -0.35659 -0.34718 -0.34556 -0.34257 -0.33438 -0.32839 -0.31816 -0.00198 0.03325 0.03885 0.04569 0.05123 0.06693 0.08562 0.11351 0.12265 0.12924 0.13184 0.14027 0.14175 0.14623 0.15086 0.15919 0.16346 0.16471 0.16971 0.17212 0.17907 0.18393 0.18569 0.18582 0.19156 0.19304 0.19715 0.20443 0.20829 0.21245 0.21602 0.22086 0.22706 0.23361 0.23969 0.25083 0.25499 0.25874 0.26176 0.26966 0.27134 0.27322 0.27634 0.27991 0.28337 0.29440 0.29666 0.29902 0.30291 0.30503 0.31000 0.31157 0.31561 0.31898 0.32119 0.32225 0.32456 0.33279 0.33961 0.33999 0.34861 0.35083 0.35551 0.35934 0.36597 0.36774 0.37081 0.38636 0.38799 0.39257 0.39741 0.40090 0.40301 0.40515 0.40605 0.41186 0.41383 0.41917 0.42398 0.43128 0.43282 0.43754 0.44013 0.44231 0.44480 0.45126 0.45339 0.45819 0.45848 0.46380 0.46582 0.47146 0.47483 0.48072 0.48287 0.48599 0.48734 0.49123 0.49170 0.50131 0.50250 0.50505 0.50913 0.51689 0.52006 0.52279 0.52875 0.52972 0.53524 0.53760 0.54021 0.54203 0.54698 0.55146 0.55835 0.56010 0.56408 0.56846 0.57314 0.57597 0.57892 0.58425 0.58829 0.59355 0.59766 0.60200 0.60366 0.61156 0.61965 0.62087 0.62501 0.63444 0.63460 0.64982 0.65264 0.66159 0.66291 0.66474 0.67144 0.67447 0.68783 0.69076 0.69844 0.70467 0.70823 0.71233 0.72081 0.72453 0.72732 0.73048 0.73884 0.74321 0.74630 0.75011 0.75500 0.75889 0.76387 0.76742 0.77073 0.77248 0.77835 0.78350 0.78674 0.78891 0.79420 0.80112 0.81008 0.81445 0.82438 0.82469 0.83128 0.83261 0.83662 0.84887 0.85262 0.86108 0.86454 0.86630 0.87209 0.87987 0.89013 0.89421 0.89570 0.90559 0.91372 0.91942 0.92686 0.93061 0.93515 0.93992 0.94376 0.95210 0.95822 0.96364 0.97427 0.97535 0.97961 0.98282 0.99292 0.99615 1.00422 1.00832 1.00958 1.01470 1.02079 1.02376 1.02914 1.03282 1.03398 1.04697 1.05343 1.05705 1.05796 1.06485 1.06824 1.07193 1.07263 1.07530 1.08413 1.09078 1.10203 1.11079 1.11317 1.11914 1.12199 1.12665 1.13005 1.13926 1.14648 1.15150 1.15969 1.16165 1.16699 1.17113 1.17394 1.18553 1.19086 1.19758 1.19964 1.20225 1.20607 1.21364 1.21595 1.23206 1.23493 1.23895 1.24381 1.25153 1.25399 1.25935 1.26460 1.27717 1.27993 1.28577 1.29081 1.29514 1.29709 1.30305 1.30912 1.31532 1.31903 1.32052 1.32431 1.33436 1.33814 1.35142 1.35365 1.35799 1.36249 1.36648 1.37350 1.38511 1.39015 1.39164 1.39611 1.40071 1.40724 1.40811 1.41327 1.41539 1.42187 1.42923 1.43241 1.43481 1.44239 1.44725 1.44903 1.45656 1.45704 1.45940 1.46730 1.47451 1.48552 1.49167 1.49937 1.50171 1.51120 1.51874 1.52433 1.52948 1.53448 1.54032 1.54594 1.55092 1.55636 1.56167 1.56798 1.57137 1.57949 1.58538 1.58776 1.59323 1.59864 1.60649 1.61233 1.62168 1.62492 1.62658 1.63420 1.63979 1.64622 1.65439 1.66424 1.67021 1.67862 1.67929 1.68468 1.69791 1.70569 1.71048 1.71628 1.71769 1.72538 1.72790 1.73575 1.73882 1.74916 1.76034 1.76210 1.76580 1.77341 1.78111 1.78589 1.79615 1.80763 1.81182 1.81712 1.82667 1.83014 1.84088 1.84602 1.85214 1.86066 1.87298 1.87439 1.88354 1.89542 1.90060 1.90808 1.91678 1.92145 1.93093 1.93365 1.94858 1.95276 1.96677 1.98038 1.98277 2.00142 2.00829 2.01427 2.01970 2.02304 2.03226 2.04715 2.05389 2.06018 2.06397 2.07438 2.07629 2.08444 2.09397 2.09763 2.10262 2.10900 2.11919 2.12985 2.13968 2.14116 2.15169 2.15572 2.16997 2.18616 2.19273 2.20113 2.20948 2.21388 2.22417 2.24223 2.24507 2.25427 2.26628 2.27282 2.28799 2.29300 2.31148 2.32122 2.33322 2.33666 2.35097 2.35489 2.36512 2.37257 2.38644 2.38734 2.40114 2.40434 2.41121 2.42663 2.43287 2.43822 2.44731 2.45205 2.46836 2.47139 2.47906 2.48211 2.48657 2.49986 2.50194 2.51736 2.52675 2.54892 2.55016 2.56231 2.58468 2.59011 2.59892 2.61702 2.61766 2.63366 2.64553 2.65897 2.66223 2.67209 2.68110 2.69459 2.71109 2.72259 2.73209 2.74217 2.74932 2.75493 2.76077 2.77098 2.77711 2.78333 2.79115 2.79550 2.80143 2.80363 2.80860 2.81125 2.82210 2.82574 2.83079 2.83636 2.84267 2.85055 2.85479 2.86779 2.87155 2.87527 2.88433 2.88811 2.89160 2.89572 2.89849 2.90467 2.90660 2.91254 2.91792 2.92842 2.93479 2.93782 2.94686 2.95144 2.96299 2.97490 2.98367 2.98703 2.99365 2.99664 3.01195 3.01522 3.02140 3.02434 3.02713 3.03856 3.04462 3.04701 3.05829 3.05941 3.07052 3.07376 3.08112 3.08636 3.08982 3.09415 3.09902 3.10133 3.10505 3.10930 3.11085 3.11351 3.11967 3.12560 3.12856 3.13281 3.13594 3.14172 3.14624 3.15289 3.15609 3.15731 3.16402 3.16907 3.18287 3.18456 3.19188 3.19898 3.20191 3.21144 3.21731 3.22270 3.22852 3.23609 3.24127 3.24375 3.24704 3.25120 3.25244 3.25496 3.25914 3.26897 3.27496 3.27669 3.28146 3.29070 3.29186 3.29992 3.30436 3.31150 3.31615 3.32042 3.32568 3.33301 3.33935 3.34432 3.35211 3.35874 3.36097 3.36966 3.37615 3.37874 3.38136 3.38678 3.39457 3.39718 3.40424 3.40759 3.41325 3.41488 3.42284 3.42528 3.42939 3.43251 3.43767 3.44147 3.44209 3.45362 3.45633 3.46199 3.47090 3.47582 3.48001 3.48298 3.49164 3.49711 3.50082 3.50484 3.51200 3.52726 3.53009 3.53221 3.53776 3.54487 3.54528 3.54859 3.55518 3.55996 3.56533 3.56936 3.58036 3.58205 3.58842 3.59001 3.59550 3.59961 3.60412 3.61241 3.61530 3.62147 3.62337 3.63177 3.63945 3.65049 3.65386 3.65818 3.66643 3.67390 3.68632 3.69386 3.70202 3.71145 3.71770 3.72584 3.73567 3.74382 3.75807 3.76032 3.76570 3.77337 3.77586 3.78470 3.79052 3.79635 3.80508 3.81835 3.82470 3.83036 3.83593 3.84259 3.84349 3.84517 3.84639 3.85145 3.85581 3.85835 3.86385 3.87130 3.87794 3.88248 3.88465 3.89183 3.89454 3.89894 3.90725 3.91130 3.91257 3.91724 3.92283 3.92756 3.93150 3.93634 3.93876 3.94479 3.95099 3.95586 3.96114 3.97360 3.97821 3.99353 3.99645 3.99918 4.01632 4.01865 4.02545 4.03259 4.03841 4.03961 4.04158 4.05428 4.07484 4.07644 4.08857 4.09085 4.09629 4.11175 4.11922 4.12339 4.13677 4.14374 4.14687 4.15663 4.16012 4.17029 4.17649 4.17855 4.18924 4.19399 4.19951 4.20330 4.21024 4.21222 4.21800 4.23313 4.23725 4.24463 4.25227 4.25559 4.26346 4.27369 4.28361 4.28804 4.29138 4.29534 4.30004 4.30938 4.31070 4.31348 4.32008 4.32800 4.33068 4.33447 4.33946 4.34214 4.35171 4.35458 4.36271 4.36884 4.37857 4.38058 4.38937 4.39262 4.40007 4.40532 4.41576 4.41926 4.42721 4.44308 4.44872 4.45223 4.46711 4.47320 4.47743 4.49429 4.50303 4.51770 4.52080 4.52394 4.54021 4.54657 4.55732 4.57557 4.58783 4.59523 4.60896 4.62361 4.63209 4.63680 4.63952 4.65076 4.66136 4.67369 4.69159 4.69472 4.70000 4.71384 4.72089 4.73476 4.74139 4.75103 4.75746 4.76202 4.76637 4.77662 4.78687 4.78940 4.79475 4.80651 4.81030 4.81576 4.82013 4.82746 4.83064 4.83976 4.85537 4.86235 4.87394 4.88406 4.88816 4.89885 4.91511 4.91908 4.93076 4.93858 4.95982 4.96459 4.96703 4.98809 4.99896 5.00237 5.01118 5.01167 5.02939 5.03474 5.04257 5.04899 5.05892 5.06906 5.07501 5.08949 5.10440 5.11511 5.12111 5.13996 5.15720 5.15914 5.16277 5.17011 5.18176 5.19321 5.20781 5.23624 5.24586 5.25737 5.26696 5.27139 5.28220 5.29046 5.30349 5.31177 5.32169 5.33035 5.33107 5.34282 5.34791 5.35578 5.37170 5.38103 5.38394 5.39626 5.41561 5.42633 5.43879 5.44847 5.45429 5.46255 5.46797 5.47592 5.49055 5.50739 5.51005 5.51376 5.53120 5.53838 5.56593 5.57781 5.59710 5.59985 5.60882 5.62180 5.63430 5.64046 5.65715 5.67903 5.70735 5.70909 5.72857 5.73234 5.73554 5.75743 5.78696 5.80493 5.81734 5.82391 5.84000 5.85200 5.86392 5.88216 5.90163 5.93801 5.98233 6.04402 6.06821 6.07062 6.09842 6.15859 6.16685 6.18441 6.19430 6.22335 6.24358 6.25316 6.28280 6.30989 6.33583 6.43698 6.45068 6.52572 6.55445 6.62445 6.65991 6.70775 6.81431 6.83153 6.85195 6.85843 6.95523 7.06093 7.11191 7.22260 7.31406 7.52506 7.58364 15.96202 22.84477 22.87031 22.96200 23.12427 23.20951 23.24277 23.26480 23.27982 23.28731 23.30522 23.35895 23.37700 23.39984 23.44209 23.65197 23.71439 23.79880 24.10079 24.11848 33.33797 33.49934 44.12093 44.37946 2-A. -2.7779 2.7288 1.2320 4.0843 -117.8977 -131.5364 -141.8057 2.8981 -5.0643 1.9180 12.5156 -1.1231 -11.3924 2.8981 -5.0643 1.9180 22.6951 12.8129 18.6841 36.7608 -51.9786 -19.2828 -28.0178 0.5574 1.9646 -5.8136 -7022.9769 -3953.6501 -752.5599 67.0401 -26.3068 -122.2585 -13.2340 20.4591 14.2081 -1767.6981 -1357.2037 -800.2780 -17.1820 -65.0965 -31.8393 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) GINC-NODO02 BPR 2025-07-13T00:00:00.000 0 coments 0 2 Version=ES64L-G16RevC.02 State=2-A HF=-1020.8427663 S2=0.776931 S2-1=0. S2A=0.750285 RMSD=8.816e-09 Dipole=-1.2339228,-1.0203945,0.1351197 Quadrupole=9.2729154,-1.293427,-7.9794885,-1.4636739,3.6229595,-3.0706328 PG=C01 [X(C19H20B1N2O2)] 0 -1.4723633076 -2.7153573248 0.5841944852 0 -2.6775655637 -2.1388912193 0.3772149163 0 -1.1404395302 -3.7393890257 0.4431738963 0 -3.6185436622 -2.5596258131 0.0365544187 0 -0.6144099471 -1.7312374054 1.0408113704 0 -2.556890199 -0.8014400311 0.7199718629 0 -1.2675382793 -0.519931198 1.1317394083 0 0.7432881715 -1.9855114902 1.4007772658 0 1.0083289023 -2.8621087073 2.4540090676 0 1.7817707347 -1.3871531222 0.6904945712 0 2.3287375626 -3.1468121454 2.7958321012 0 0.1790647445 -3.3092425834 3.0065645641 0 3.0978419959 -1.6679632885 1.049076916 0 1.5824327275 -0.6986022216 -0.1330168395 0 3.3751221295 -2.5468624159 2.0958461923 0 2.5389135411 -3.832108024 3.6195990871 0 3.9066683488 -1.1909983296 0.4921819637 0 4.409786978 -2.7650529502 2.3690125331 0 -3.6266605931 0.129468737 0.6266928532 0 -4.2947796089 0.2802819036 -0.5901861629 0 -4.0210906675 0.8671799152 1.7439603108 0 -5.3632525959 1.1694205359 -0.6867223641 0 -3.9634505599 -0.2893439807 -1.4610305815 0 -5.0808085064 1.7627685472 1.635459755 0 -3.4894289281 0.7373026526 2.6869642741 0 -5.755314685 1.9149713156 0.4236906763 0 -5.8827494024 1.2877105775 -1.6397194607 0 -5.3855693207 2.3431609162 2.5085366605 0 -6.5872817024 2.617568741 0.3450507644 0 -0.6632895862 0.8429783569 1.47029673 0 -1.3987085064 1.7682203931 1.7101893891 0 0.4907153996 0.8735699029 1.8177003742 0 -0.5333132233 1.4118497085 -0.881274641 0 -0.3046651527 0.4050397311 -1.2392012705 0 0.4369538105 2.368085534 -0.9190451777 0 0.2245509208 3.410232457 -0.6745108063 0 -1.5854022596 1.6896102143 -0.8029704493 0 1.8253013978 2.0190724556 -1.2073161499 0 2.6261756707 3.0997496307 -1.2116238175 0 2.2517736536 0.9016169827 -1.426768221 0 3.9934363961 2.8627221797 -1.4748717578 0 4.4356738841 2.2056315212 -0.7106504041 0 4.1332035613 2.3883966121 -2.4578232554 0 4.4864382168 3.8417107149 -1.4561990087