Gaussian 16 GINC-NODO01 CECILIA coments ES64L-G16RevC.02 1-Jul-2025 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 36 36 67 68 336 (5D, 7F) def2SVP 102 102 C1[X(C13H20BIN)] C1[X(C13H20BIN)] UwB97XD def2SVP FOpt #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 307.86126999999993 0 2 AuxInfo=1/0/N:23,26,15,13,18,19,20,12,14;8,4,6,2,3,1,36/E:(1,2)(5,6);(2,3)(4,5)/CRV:9.4;1.3,2.3,3.3,4.3,5.3,6.3/rA:36nC3C3C3C3HC3HC3HHHBCN4CHHCCCHHCHHCHHHHHHHHHI/rB:s1;s1;s2;s2;s3;s3;s4s6;s4;s6;s8;;s12;s12;s13;s13;s13;s14;s14;s14s15;s15;s15;s18;s18;s18;s19s23;s19;s19;s20;s20;s23;s23;s26;s26;s12;s1;/rC:-2.7403,.511,-.4806;-3.8646,-.0198,-1.1083;-2.7035,.6424,.9057;-4.9601,-.4243,-.3418;-3.8938,-.1188,-2.1972;-3.8011,.2374,1.6689;-1.8213,1.0616,1.3977;-4.9298,-.2966,1.047;-5.8434,-.8402,-.8339;-3.7736,.3412,2.7568;-5.7876,-.6123,1.6453;2.5034,-.4618,-.7168;3.2358,.9665,-.6062;2.818,-.948,-2.2616;4.1814,.9904,-1.8158;2.5198,1.8091,-.6862;3.7854,1.1268,.3351;1.6215,-1.4644,-2.9746;3.7297,-2.1275,-2.2661;3.4144,.2538,-2.904;4.4638,1.9979,-2.1601;5.1193,.4544,-1.5936;1.428,-2.8849,-2.4376;1.8419,-1.4735,-4.0561;.7739,-.7932,-2.7901;2.819,-3.2951,-1.899;4.5506,-1.9622,-1.5585;4.1409,-2.2458,-3.2852;2.5768,.8776,-3.2522;4.013,-.0411,-3.7822;.6865,-2.8897,-1.6285;1.0649,-3.5548,-3.2292;2.7865,-3.4026,-.8066;3.1874,-4.2368,-2.3283;1.8855,-1.0291,.1132;-1.0911,1.1169,-1.6307; /usr/local/CompChem/Gaussian/g16/g16 Output=9N_PhI_add1.log chk=9N_PhI_add1.chk Mem=12000MB NProc=12 #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=43,7=101,11=2,24=110,25=1,30=1,71=1,74=-58/1,2,3 4//1 5/5=2,8=3,13=1,38=5/2,8 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=43,7=101,11=2,25=1,30=1,71=1,74=-58/1,2,3 4/5=5,16=3,69=1/1 5/5=2,8=3,13=1,38=5/2,8 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 coments 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 12 12 12 12 1 12 1 12 1 1 1 11 12 14 12 1 1 12 12 12 1 1 12 1 1 12 1 1 1 1 1 1 1 1 1 127 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 11.0093053 12.0000000 14.0030740 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 126.9004000 0 0 0 0 1 0 1 0 1 1 1 3 0 2 0 1 1 0 0 0 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 5 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (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 1 1 1 2 2 3 3 4 4 6 6 8 12 12 12 13 13 13 14 14 14 15 15 15 18 18 18 19 19 19 20 20 23 23 23 25 26 26 2 3 36 4 5 6 7 8 9 8 10 11 13 14 35 15 16 17 18 19 20 20 21 22 23 24 25 26 27 28 29 30 26 31 32 36 33 34 1.3928 1.3929 2.1 1.3969 1.0938 1.3969 1.0936 1.395 1.0932 1.395 1.0932 1.0924 1.609 1.6498 1.18 1.5355 1.1085 1.1018 1.4855 1.4907 1.4876 1.5215 1.1016 1.1029 1.5308 1.1037 1.0969 1.5256 1.0964 1.1053 1.1009 1.103 1.5471 1.0975 1.0988 2.9104 1.0981 1.0986 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 2 2 3 1 1 4 1 1 6 2 2 8 3 3 8 4 4 6 13 13 14 12 12 12 15 15 16 12 12 12 18 18 19 13 13 13 20 20 21 14 14 14 23 23 24 14 14 14 26 26 27 14 14 14 15 15 29 18 18 18 26 26 31 18 19 19 19 23 23 33 1 1 1 1 2 2 2 3 3 3 4 4 4 6 6 6 8 8 8 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 23 23 23 23 23 23 25 26 26 26 26 26 26 36 3 36 36 4 5 5 6 7 7 8 9 9 8 10 10 6 11 11 14 35 35 15 16 17 16 17 17 18 19 20 19 20 20 20 21 22 21 22 22 23 24 25 24 25 25 26 27 28 27 28 28 15 29 30 29 30 30 26 31 32 31 32 32 36 23 33 34 33 34 34 25 120.3888 119.8056 119.8056 119.7441 120.3149 119.9408 119.71 120.3448 119.9451 120.1802 119.7906 120.0291 120.2099 119.7659 120.0242 119.7668 120.1171 120.1161 103.8364 128.0818 128.0818 103.8884 112.0711 114.5165 109.2139 111.3139 105.8597 113.4707 110.6503 104.0453 102.4805 113.3584 113.1265 104.2059 114.7321 110.9459 110.3919 109.7225 106.826 104.8293 108.2013 109.2069 111.1771 114.2776 108.9193 103.874 109.6713 108.3608 114.0206 111.2284 109.4286 106.5227 106.819 110.2076 109.6018 115.1707 108.2118 104.7489 110.3697 110.7807 110.4615 112.7239 107.7708 164.5431 104.474 109.3885 111.2155 110.2207 113.1285 108.3492 122.1457 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 3 3 36 36 2 2 36 36 2 3 1 1 5 5 1 1 7 7 2 2 9 9 3 3 10 10 14 14 14 35 35 35 13 13 13 35 35 35 12 12 12 16 16 16 17 17 17 12 12 12 19 19 19 20 20 20 12 12 12 18 18 18 20 20 20 12 12 12 18 18 18 19 19 19 13 13 13 21 21 21 22 22 22 14 14 14 24 24 24 25 25 25 14 23 24 14 14 14 27 27 27 28 28 28 18 18 18 31 31 31 32 32 32 18 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 6 6 6 6 12 12 12 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 23 23 23 23 23 23 23 23 23 25 2 2 2 2 3 3 3 3 36 36 4 4 4 4 6 6 6 6 8 8 8 8 8 8 8 8 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 25 25 25 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 36 4 5 4 5 6 7 6 7 25 25 8 9 8 9 8 10 8 10 6 11 6 11 4 11 4 11 15 16 17 15 16 17 18 19 20 18 19 20 20 21 22 20 21 22 20 21 22 23 24 25 23 24 25 23 24 25 26 27 28 26 27 28 26 27 28 15 29 30 15 29 30 15 29 30 14 29 30 14 29 30 14 29 30 26 31 32 26 31 32 26 31 32 36 36 36 23 33 34 23 33 34 23 33 34 19 33 34 19 33 34 19 33 34 1 -0.0963 179.7602 179.9037 -0.2398 0.068 -179.8496 -179.932 0.1504 -76.0671 103.9329 0.0503 179.941 -179.8067 0.0839 0.0065 -179.9293 179.9245 -0.0114 0.0235 179.9415 -179.8669 0.0511 -0.052 -179.97 179.8836 -0.0344 -15.6051 102.1743 -137.2259 164.3949 -77.8257 42.7741 -133.4873 111.9671 -9.8324 46.5127 -68.0329 170.1676 35.3822 156.2019 -82.6288 -84.3586 36.4611 157.6304 159.1141 -80.0663 41.103 -78.2202 163.0658 44.6426 41.1127 -77.6012 163.9756 163.3733 44.6593 -73.7638 77.3998 -44.848 -164.2441 -43.8885 -166.1364 74.4675 -166.3064 71.4458 -47.9504 32.401 -84.6792 157.9868 156.1289 39.0486 -78.2853 -87.7407 155.1791 37.8451 -43.9213 71.2939 -166.4355 -167.5999 -52.3846 69.886 74.9272 -169.8575 -47.5869 -22.3955 96.5088 -144.2084 94.2899 -146.8058 -27.5229 -141.917 -23.0127 96.2702 -28.9267 88.103 -146.9002 29.4491 -88.538 151.8178 148.7693 30.7822 -88.8619 -86.9121 155.1008 35.4567 -4.3545 113.0619 -125.4628 -123.1968 -5.7804 115.6949 116.1767 -126.407 -4.9316 -92.4557 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 353 A 336 A 582 353 1224.0308671405 36 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Berny optimization. local minimum Step number 69 out of a maximum of 216 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00070 0.00119 0.00149 0.00240 0.00471 0.00740 0.00872 0.01149 0.01744 0.01814 0.02122 0.02148 0.02157 0.02183 0.02239 0.02250 0.02339 0.02418 0.02675 0.02852 0.02950 0.03351 0.03985 0.04307 0.04391 0.04545 0.04849 0.04901 0.04975 0.05168 0.05331 0.05354 0.05518 0.05654 0.05804 0.05949 0.06257 0.06399 0.06982 0.07171 0.07336 0.07429 0.07545 0.07890 0.08232 0.08497 0.08967 0.09678 0.10632 0.11273 0.11590 0.13487 0.15423 0.15935 0.15979 0.16004 0.16013 0.16840 0.18102 0.19286 0.20373 0.21227 0.21976 0.22098 0.23122 0.25330 0.26243 0.26844 0.28084 0.28504 0.29823 0.30171 0.30796 0.32168 0.32963 0.33087 0.33253 0.33389 0.33410 0.33485 0.33598 0.33736 0.33871 0.33911 0.33963 0.33968 0.34199 0.34360 0.34422 0.34456 0.34520 0.34544 0.36814 0.39404 0.41431 0.42185 0.46354 0.46568 0.46689 0.47962 0.48642 3.88560 -1.67420391e-09 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 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 2.60320 2.60315 7.29593 2.64953 2.06539 2.64915 2.06462 2.63963 2.06597 2.64012 2.06557 2.06395 3.07105 3.11748 2.29211 2.92517 2.07540 2.08218 2.80768 2.82700 2.80602 2.88222 2.07753 2.08229 2.87277 2.08297 2.06918 2.90069 2.07174 2.08243 2.07677 2.08300 2.91855 2.07662 2.07496 5.35355 2.07351 2.07655 2.19169 1.82465 1.79489 2.03761 2.12996 2.11561 2.03683 2.13094 2.11537 2.09771 2.08988 2.09559 2.09856 2.08924 2.09538 2.10395 2.08981 2.08942 1.75832 2.07973 1.90330 1.85893 1.94572 1.94378 1.94049 1.92781 1.84863 2.07042 1.86467 1.79732 1.78956 1.97516 1.96963 1.85555 1.97807 1.94266 1.91878 1.91431 1.85483 1.81601 1.87846 1.91861 1.94859 2.00317 1.89428 1.83835 1.92179 1.87736 1.98643 1.94477 1.89198 1.85298 1.85277 1.91586 1.94259 2.00328 1.89037 1.81841 1.91181 1.94343 1.93244 1.97533 1.88211 2.03660 1.83161 1.93679 1.92180 1.93898 1.95996 1.87566 0.79550 0.00608 -3.13753 2.06371 -1.07990 -0.00667 3.12492 -2.07778 1.05381 -1.34805 0.96449 -0.00181 3.13549 -3.14141 -0.00411 0.00301 -3.13802 -3.12868 0.01348 -0.00133 3.13713 -3.13861 -0.00015 0.00071 -3.13776 -3.14146 0.00327 0.24589 2.36546 -1.85707 2.32457 -1.83905 0.22161 -2.79389 1.48119 -0.59727 1.28719 -0.72092 -2.79937 0.17904 2.28880 -1.90480 -1.94385 0.16591 2.25550 2.29224 -1.88118 0.20841 -1.27854 2.93490 0.87484 0.76958 -1.30017 2.92296 2.89647 0.82672 -1.23334 1.53063 -0.61800 -2.67643 -0.65896 -2.80760 1.41716 -2.78961 1.34494 -0.71349 0.74501 -1.32392 2.91980 3.00176 0.93283 -1.10664 -1.25890 2.95535 0.91589 -0.59365 1.41501 -2.71334 -2.74111 -0.73245 1.42239 1.50860 -2.76592 -0.61109 -0.57758 1.49040 -2.71254 1.44345 -2.77176 -0.69151 -2.67481 -0.60683 1.47342 -0.53666 1.50282 -2.58691 0.29795 -1.79786 2.41083 2.40472 0.30891 -1.76559 -1.73260 2.45478 0.38028 0.16707 2.26142 -1.92051 -1.88674 0.20761 2.30886 2.28089 -1.90794 0.19331 2.68934 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 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 0.00004 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00054 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00002 -0.00001 -0.00000 0.00002 -0.00000 0.00000 -0.00002 -0.00000 0.00000 0.00002 -0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00003 0.00000 0.00000 -0.00000 -0.00013 0.00011 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00004 0.00002 -0.00001 0.00001 -0.00001 0.00003 -0.00002 -0.00001 -0.00002 0.00001 0.00000 -0.00000 0.00000 0.00001 0.00004 -0.00002 -0.00001 -0.00002 0.00000 0.00001 0.00002 0.00001 0.00001 0.00000 -0.00001 -0.00002 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 0.00002 -0.00002 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00004 -0.00001 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00011 0.00004 0.00001 0.00007 0.00004 -0.00001 -0.00001 0.00007 0.00007 0.00004 0.00003 -0.00003 -0.00002 -0.00000 0.00001 -0.00003 -0.00000 -0.00003 -0.00000 -0.00001 0.00001 -0.00002 0.00000 0.00004 0.00002 0.00001 -0.00001 0.00027 0.00031 0.00030 0.00031 0.00035 0.00034 -0.00014 -0.00013 -0.00015 -0.00019 -0.00018 -0.00020 -0.00031 -0.00031 -0.00033 -0.00033 -0.00034 -0.00036 -0.00033 -0.00034 -0.00035 -0.00003 -0.00004 -0.00003 -0.00002 -0.00004 -0.00003 -0.00002 -0.00003 -0.00002 -0.00002 -0.00002 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00005 -0.00007 -0.00007 -0.00007 -0.00009 -0.00009 -0.00006 -0.00009 -0.00008 0.00022 0.00025 0.00024 0.00024 0.00026 0.00025 0.00024 0.00026 0.00025 0.00004 0.00005 0.00005 0.00006 0.00007 0.00006 0.00002 0.00004 0.00003 0.00017 0.00019 0.00016 0.00003 0.00002 0.00002 0.00002 0.00001 0.00001 0.00002 0.00001 0.00001 -0.00004 -0.00004 -0.00004 -0.00006 -0.00006 -0.00006 -0.00006 -0.00005 -0.00005 0.00003 -0.00000 0.00000 0.00014 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00018 0.00000 0.00000 -0.00000 0.00009 -0.00008 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00002 -0.00001 -0.00000 0.00003 0.00001 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00002 -0.00003 0.00001 -0.00001 0.00002 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00002 0.00001 0.00000 0.00001 0.00000 0.00007 0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00001 -0.00002 -0.00002 0.00001 -0.00004 -0.00001 -0.00001 0.00000 -0.00006 -0.00005 0.00004 0.00004 0.00002 0.00001 -0.00001 -0.00002 0.00004 -0.00000 0.00003 -0.00001 0.00001 -0.00001 0.00002 -0.00000 -0.00004 -0.00002 0.00000 0.00002 0.00002 0.00002 0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00002 -0.00001 0.00001 -0.00001 0.00000 -0.00002 -0.00003 -0.00003 -0.00002 -0.00003 -0.00003 -0.00002 -0.00003 -0.00003 0.00000 -0.00001 -0.00003 0.00000 -0.00001 -0.00003 0.00002 0.00000 -0.00001 0.00007 0.00006 0.00007 0.00008 0.00008 0.00008 0.00005 0.00005 0.00005 -0.00000 -0.00001 -0.00001 -0.00003 -0.00003 -0.00003 0.00001 0.00001 0.00001 0.00001 0.00001 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00003 -0.00007 -0.00008 -0.00008 -0.00005 -0.00006 -0.00006 -0.00002 -0.00004 -0.00003 0.00003 -0.00001 0.00001 -0.00013 -0.00015 -0.00014 -0.00012 -0.00015 -0.00014 -0.00013 -0.00015 -0.00014 0.00012 0.00014 0.00013 0.00015 0.00017 0.00016 0.00013 0.00016 0.00015 -0.00001 0.00000 0.00000 0.00069 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00003 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00003 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 -0.00014 0.00000 0.00000 -0.00000 -0.00003 0.00003 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00002 0.00004 0.00001 0.00000 0.00001 -0.00001 0.00003 -0.00002 -0.00001 -0.00004 0.00000 -0.00000 0.00003 0.00001 0.00000 0.00004 -0.00002 -0.00000 -0.00002 0.00000 0.00001 0.00000 0.00003 -0.00002 0.00001 -0.00002 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00001 0.00002 -0.00002 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 0.00011 0.00000 0.00001 -0.00001 0.00002 -0.00002 -0.00000 -0.00013 0.00002 0.00002 0.00002 0.00003 -0.00002 -0.00000 0.00000 0.00002 0.00008 0.00008 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 -0.00002 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00029 0.00033 0.00032 0.00031 0.00036 0.00034 -0.00014 -0.00015 -0.00015 -0.00018 -0.00019 -0.00020 -0.00033 -0.00034 -0.00035 -0.00036 -0.00037 -0.00038 -0.00035 -0.00037 -0.00038 -0.00002 -0.00005 -0.00006 -0.00002 -0.00005 -0.00005 0.00000 -0.00002 -0.00003 0.00005 0.00005 0.00005 0.00008 0.00008 0.00008 0.00005 0.00005 0.00005 -0.00005 -0.00008 -0.00007 -0.00009 -0.00012 -0.00012 -0.00005 -0.00008 -0.00008 0.00024 0.00026 0.00026 0.00026 0.00028 0.00028 0.00026 0.00028 0.00028 -0.00003 -0.00003 -0.00003 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00020 0.00017 0.00017 -0.00010 -0.00013 -0.00012 -0.00011 -0.00014 -0.00013 -0.00011 -0.00014 -0.00013 0.00008 0.00010 0.00010 0.00008 0.00011 0.00010 0.00008 0.00010 0.00010 0.00002 2.60320 2.60315 7.29661 2.64953 2.06539 2.64915 2.06462 2.63962 2.06597 2.64012 2.06557 2.06395 3.07102 3.11748 2.29211 2.92518 2.07540 2.08218 2.80765 2.82700 2.80603 2.88224 2.07753 2.08229 2.87276 2.08297 2.06917 2.90070 2.07174 2.08243 2.07677 2.08300 2.91855 2.07662 2.07496 5.35341 2.07351 2.07655 2.19169 1.82461 1.79492 2.03761 2.12997 2.11560 2.03683 2.13094 2.11537 2.09771 2.08987 2.09560 2.09856 2.08924 2.09538 2.10395 2.08981 2.08942 1.75830 2.07976 1.90331 1.85893 1.94572 1.94377 1.94053 1.92779 1.84862 2.07038 1.86467 1.79731 1.78959 1.97517 1.96964 1.85559 1.97805 1.94266 1.91876 1.91431 1.85484 1.81601 1.87849 1.91859 1.94860 2.00315 1.89428 1.83835 1.92178 1.87736 1.98643 1.94477 1.89198 1.85299 1.85278 1.91585 1.94261 2.00326 1.89037 1.81841 1.91180 1.94343 1.93244 1.97533 1.88211 2.03671 1.83161 1.93680 1.92179 1.93900 1.95994 1.87566 0.79537 0.00609 -3.13751 2.06373 -1.07987 -0.00669 3.12492 -2.07778 1.05383 -1.34796 0.96456 -0.00182 3.13548 -3.14142 -0.00412 0.00302 -3.13802 -3.12868 0.01346 -0.00133 3.13714 -3.13861 -0.00015 0.00070 -3.13776 -3.14144 0.00328 0.24618 2.36579 -1.85675 2.32488 -1.83869 0.22195 -2.79403 1.48104 -0.59742 1.28701 -0.72111 -2.79957 0.17872 2.28846 -1.90515 -1.94421 0.16554 2.25511 2.29189 -1.88155 0.20803 -1.27857 2.93485 0.87478 0.76955 -1.30022 2.92290 2.89647 0.82670 -1.23337 1.53068 -0.61795 -2.67638 -0.65888 -2.80752 1.41724 -2.78956 1.34499 -0.71343 0.74496 -1.32400 2.91973 3.00167 0.93271 -1.10675 -1.25896 2.95527 0.91581 -0.59341 1.41527 -2.71308 -2.74085 -0.73217 1.42266 1.50886 -2.76564 -0.61081 -0.57761 1.49037 -2.71257 1.44345 -2.77175 -0.69151 -2.67481 -0.60682 1.47342 -0.53646 1.50299 -2.58673 0.29785 -1.79799 2.41071 2.40461 0.30877 -1.76572 -1.73271 2.45463 0.38015 0.16715 2.26153 -1.92042 -1.88666 0.20772 2.30897 2.28097 -1.90783 0.19341 2.68936 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000038 0.000003 0.001776 0.000344 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.980080e-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 1 1 1 2 2 3 3 4 4 6 6 8 12 12 12 13 13 13 14 14 14 15 15 15 18 18 18 19 19 19 20 20 23 23 23 25 26 26 2 3 36 4 5 6 7 8 9 8 10 11 13 14 35 15 16 17 18 19 20 20 21 22 23 24 25 26 27 28 29 30 26 31 32 36 33 34 1.3776 1.3775 3.8608 1.4021 1.093 1.4019 1.0926 1.3968 1.0933 1.3971 1.0931 1.0922 1.6251 1.6497 1.2129 1.5479 1.0983 1.1018 1.4858 1.496 1.4849 1.5252 1.0994 1.1019 1.5202 1.1023 1.095 1.535 1.0963 1.102 1.099 1.1023 1.5444 1.0989 1.098 2.833 1.0973 1.0989 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 3 1 1 4 1 1 6 2 2 8 3 3 8 4 4 6 13 13 14 12 12 12 15 15 16 12 12 12 18 18 19 13 13 13 20 20 21 14 14 14 23 23 24 14 14 14 26 26 27 14 14 14 15 15 29 18 18 18 26 26 31 18 19 19 19 23 23 33 1 1 1 1 2 2 2 3 3 3 4 4 4 6 6 6 8 8 8 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 23 23 23 23 23 23 25 26 26 26 26 26 26 36 3 36 36 4 5 5 6 7 7 8 9 9 8 10 10 6 11 11 14 35 35 15 16 17 16 17 17 18 19 20 19 20 20 20 21 22 21 22 22 23 24 25 24 25 25 26 27 28 27 28 28 15 29 30 29 30 30 26 31 32 31 32 32 36 23 33 34 33 34 34 25 125.5746 104.5446 102.8394 116.7465 122.0378 121.2155 116.7018 122.0937 121.2019 120.1898 119.7412 120.0685 120.2389 119.7046 120.0565 120.5474 119.7372 119.7152 100.7444 119.1595 109.0511 106.509 111.4814 111.3706 111.1821 110.4555 105.9189 118.6261 106.8378 102.9786 102.5344 113.1685 112.8518 106.3155 113.3353 111.3061 109.9383 109.6817 106.2738 104.0497 107.6279 109.9283 111.6462 114.7729 108.534 105.3295 110.1105 107.5647 113.8138 111.4273 108.4026 106.1679 106.1561 109.7709 111.3022 114.7795 108.3104 104.1875 109.5386 111.3502 110.7204 113.1782 107.8372 116.6884 104.9434 110.9697 110.1113 111.0952 112.2975 107.4675 45.5787 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 3 3 36 36 2 2 36 36 2 3 1 1 5 5 1 1 7 7 2 2 9 9 3 3 10 10 14 14 14 35 35 35 13 13 13 35 35 35 12 12 12 16 16 16 17 17 17 12 12 12 19 19 19 20 20 20 12 12 12 18 18 18 20 20 20 12 12 12 18 18 18 19 19 19 13 13 13 21 21 21 22 22 22 14 14 14 24 24 24 25 25 25 14 23 24 14 14 14 27 27 27 28 28 28 18 18 18 31 31 31 32 32 32 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 6 6 6 6 12 12 12 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 23 23 23 23 23 23 23 23 23 2 2 2 2 3 3 3 3 36 36 4 4 4 4 6 6 6 6 8 8 8 8 8 8 8 8 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 25 25 25 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 4 5 4 5 6 7 6 7 25 25 8 9 8 9 8 10 8 10 6 11 6 11 4 11 4 11 15 16 17 15 16 17 18 19 20 18 19 20 20 21 22 20 21 22 20 21 22 23 24 25 23 24 25 23 24 25 26 27 28 26 27 28 26 27 28 15 29 30 15 29 30 15 29 30 14 29 30 14 29 30 14 29 30 26 31 32 26 31 32 26 31 32 36 36 36 23 33 34 23 33 34 23 33 34 19 33 34 19 33 34 19 33 34 0.3483 -179.7673 118.2418 -61.8737 -0.3823 179.0449 -119.048 60.3791 -77.2373 55.2611 -0.1039 179.6501 -179.9893 -0.2354 0.1723 -179.795 -179.2603 0.7723 -0.0762 179.7445 -179.8293 -0.0086 0.0406 -179.7801 -179.9922 0.1871 14.0885 135.5309 -106.402 133.188 -105.3697 12.6974 -160.0782 84.8658 -34.2208 73.7505 -41.3056 -160.3921 10.2585 131.1387 -109.1368 -111.3744 9.5059 129.2304 131.336 -107.7838 11.9407 -73.2552 168.1572 50.1245 44.0935 -74.4941 167.4732 165.9553 47.3677 -70.665 87.6988 -35.4089 -153.3481 -37.7556 -160.8634 81.1975 -159.8329 77.0593 -40.8798 42.686 -75.855 167.2921 171.9882 53.4473 -63.4056 -72.1298 169.3292 52.4764 -34.0137 81.0741 -155.4627 -157.0541 -41.9663 81.4968 86.4365 -158.4758 -35.0126 -33.0928 85.3938 -155.4169 82.7034 -158.81 -39.6207 -153.2552 -34.7686 84.4207 -30.7484 86.1053 -148.2188 17.0714 -103.0098 138.1306 137.7802 17.6991 -101.1606 -99.2706 140.6483 21.7886 9.5723 129.57 -110.0373 -108.1023 11.8954 132.2881 130.6855 -109.3168 11.0759 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0282158661 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.86126999999993 AuxInfo=1/0/N:23,26,15,13,18,19,20,12,14;8,4,6,2,3,1,36/E:(1,2)(5,6);(2,3)(4,5)/CRV:9.4;1.3,2.3,3.3,4.3,5.3,6.3/rA:36nC3C3C3C3HC3HC3HHHBCN4CHHCCCHHCHHCHHHHHHHHHI/rB:s1;s1;s2;s2;s3;s3;s4s6;s4;s6;s8;;s12;s12;s13;s13;s13;s14;s14;s14s15;s15;s15;s18;s18;s18;s19s23;s19;s19;s20;s20;s23;s23;s26;s26;s12;s1;/rC:-2.7403,.511,-.4806;-3.8646,-.0198,-1.1083;-2.7035,.6424,.9057;-4.9601,-.4243,-.3418;-3.8938,-.1188,-2.1972;-3.8011,.2374,1.6689;-1.8213,1.0616,1.3977;-4.9298,-.2966,1.047;-5.8434,-.8402,-.8339;-3.7736,.3412,2.7568;-5.7876,-.6123,1.6453;2.5034,-.4618,-.7168;3.2358,.9665,-.6062;2.818,-.9481,-2.2616;4.1814,.9904,-1.8158;2.5198,1.809,-.6862;3.7855,1.1268,.3351;1.6215,-1.4644,-2.9746;3.7297,-2.1275,-2.2661;3.4144,.2538,-2.904;4.4638,1.9979,-2.1601;5.1194,.4544,-1.5936;1.428,-2.8849,-2.4376;1.8419,-1.4735,-4.0561;.7738,-.7932,-2.7901;2.819,-3.2951,-1.899;4.5506,-1.9622,-1.5585;4.1409,-2.2458,-3.2852;2.5768,.8776,-3.2522;4.0131,-.0411,-3.7822;.6865,-2.8897,-1.6285;1.0649,-3.5548,-3.2292;2.7865,-3.4026,-.8067;3.1874,-4.2368,-2.3282;1.8855,-1.0291,.1132;-1.0911,1.1169,-1.6307; 0.000000 1.392754 0.000000 1.392928 2.417183 0.000000 2.412769 1.396874 2.790439 0.000000 2.161911 1.093750 3.409381 2.161630 0.000000 2.412515 2.789812 1.396888 2.413356 3.883555 0.000000 2.162295 3.409456 1.093643 3.884077 4.314096 2.161600 0.000000 2.789157 2.420027 2.420388 1.395000 3.410196 1.394987 3.410381 0.000000 3.402823 2.159588 3.883659 1.093225 2.485919 3.405269 4.977298 2.160453 0.000000 3.402511 3.883010 2.159317 3.405217 4.976753 1.093202 2.485530 2.160370 4.309583 0.000000 3.881587 3.410460 3.410712 2.160732 4.312142 2.160709 4.312160 1.092431 2.490242 2.490119 0.000000 5.338420 6.395280 5.564420 7.473001 6.575176 6.776913 5.049161 7.641377 8.356124 7.218784 8.622156 0.000000 5.994759 7.186094 6.137218 8.317261 7.385088 7.431364 5.440424 8.426475 9.259936 7.799504 9.433057 1.608962 0.000000 6.016330 6.844625 6.561078 8.028646 6.763147 7.788870 6.241118 8.449858 8.778921 8.384251 9.456867 1.649806 2.565201 0.000000 7.065615 8.139949 7.411382 9.367017 8.159918 8.742415 6.809039 9.636695 10.237708 9.198462 10.673689 2.476390 1.535491 2.411471 0.000000 5.421827 6.654564 5.583697 7.813803 6.865393 6.926050 4.872992 7.933124 8.773963 7.322282 8.961647 2.271126 1.108540 3.189405 2.169547 0.000000 6.605332 7.869001 6.531947 8.907816 8.181352 7.754077 5.706892 8.859401 9.896938 7.976288 9.817526 2.296490 1.101776 3.461738 2.191229 1.763611 0.000000 5.398895 5.972178 6.180647 7.164553 5.730028 7.339121 6.111458 7.775394 7.790784 8.075662 8.772888 2.623141 3.758271 1.485522 3.731252 4.093811 4.727723 0.000000 7.211862 7.965901 7.688804 9.061794 7.883953 8.819825 7.376063 9.450699 9.764801 9.360714 10.400594 2.584342 3.545734 1.490728 3.182522 4.410946 4.166540 2.320816 0.000000 6.619670 7.502210 7.217531 8.783915 7.351751 8.542528 6.824129 9.248743 9.549267 9.149833 10.301569 2.475064 2.412336 1.487570 1.521501 2.852621 3.375070 2.484340 2.485374 0.000000 7.545306 8.633644 7.912428 9.898676 8.621560 9.277363 7.282639 10.187773 10.772717 9.735298 11.242122 3.460784 2.233052 3.376064 1.101572 2.446899 2.728568 4.553028 4.191625 2.167123 0.000000 7.938307 9.009519 8.214506 10.194832 9.051487 9.500794 7.582111 10.417413 11.064986 9.900668 11.427548 2.907154 2.187475 2.776529 1.102937 3.068574 2.439515 4.221854 3.008274 2.159640 1.770116 0.000000 5.721644 6.163377 6.378734 7.159259 6.002537 7.345450 6.390744 7.698308 7.721769 8.027843 8.596465 3.160527 4.631966 2.390464 4.794324 5.127592 5.416552 1.530842 2.429106 3.743607 5.756282 5.048645 0.000000 6.141607 6.585309 7.053797 7.820707 6.179692 8.218609 7.041909 8.560502 8.357421 9.013432 9.563234 3.551351 4.449515 2.109312 4.069814 4.752988 5.460908 1.103702 2.682424 2.604625 4.745558 4.530174 2.186864 0.000000 4.402755 4.994147 5.273621 6.245663 4.753219 6.471059 5.264202 6.892134 6.900462 7.261817 7.921954 2.720242 3.731853 2.117066 3.967592 3.774400 4.745811 1.096861 3.285111 2.842846 4.669357 4.676678 2.219764 1.790617 0.000000 6.885141 7.484890 7.339481 8.436914 7.432356 8.308694 7.168051 8.815600 9.066326 8.852210 9.686721 3.086249 4.472866 2.374926 4.497656 5.254805 5.047639 2.437777 1.525565 3.736258 5.548891 4.409484 1.547066 2.987655 3.352126 0.000000 7.774085 8.648171 8.091805 9.710776 8.666816 9.219807 7.647387 9.972026 10.479429 9.655017 10.907055 2.674081 3.348556 2.127119 2.986692 4.371173 3.703099 3.291359 1.096366 2.830530 4.006505 2.482826 3.372659 3.716708 4.140938 2.211576 0.000000 7.925729 8.589614 8.529361 9.737018 8.382359 9.684221 8.271331 10.239386 10.376416 10.287713 11.204995 3.529979 4.279592 2.117044 3.554414 5.081760 4.960552 2.656026 1.105258 2.630818 4.402192 3.333123 2.913149 2.544828 3.700309 2.184034 1.797154 0.000000 6.007340 6.847831 6.724902 8.183516 6.631290 8.081112 6.402965 8.729879 8.927356 8.759191 9.806509 2.868461 2.728274 2.091102 2.156612 2.730430 3.793649 2.544547 3.366388 1.100948 2.451268 3.065118 4.017393 2.591180 2.501121 4.393397 3.850885 3.493328 0.000000 7.537495 8.319092 8.219172 9.617726 8.064513 9.531670 7.879464 10.166673 10.318912 10.175292 11.217663 3.442823 3.421423 2.136126 2.226914 3.903567 4.285755 2.897876 2.594650 1.103009 2.644203 2.501869 4.071539 2.615535 3.470213 3.944776 2.987407 2.263679 1.785430 0.000000 4.962446 5.405499 5.512667 6.294306 5.383357 6.386713 5.573058 6.739871 6.889952 7.040024 7.603803 3.166492 4.734329 2.951941 5.225347 5.130961 5.439777 2.172016 3.201261 4.353141 6.199945 5.552816 1.097519 3.038651 2.398406 2.187484 3.974444 3.884819 4.516870 4.880456 0.000000 6.210130 6.426059 6.993868 7.378207 6.120438 7.877195 7.144842 8.052251 7.799428 8.626831 8.909284 4.236515 5.659933 3.287059 5.689386 6.111811 6.482515 2.178132 3.172625 4.486810 6.597588 5.931868 1.098751 2.370412 2.811424 2.216739 4.180651 3.343389 4.683206 4.619904 1.774234 0.000000 6.779954 7.467952 7.030848 8.312373 7.572466 7.922964 6.783694 8.521984 9.002239 8.351524 9.344042 2.955699 4.396687 2.853483 4.718299 5.219807 4.776695 3.132688 2.155302 4.261706 5.814706 4.575758 2.184833 3.895123 3.846239 1.098068 2.398363 3.052154 4.934040 4.653822 2.312600 2.975863 0.000000 7.816298 8.306777 8.304683 9.212161 8.192624 9.210615 8.187957 9.633682 9.763490 9.760731 10.463104 4.161213 5.481126 3.310150 5.345554 6.300388 6.018302 3.249073 2.178791 4.533118 6.366325 5.126368 2.221573 3.525864 4.230565 1.098557 2.761331 2.406058 5.233022 4.516670 2.925577 2.404590 1.781034 0.000000 4.911512 5.964426 4.947780 6.887348 6.290216 6.030055 4.445315 6.917907 7.788975 6.394659 7.835623 1.180000 2.514595 2.552596 3.615293 3.016011 2.882167 3.129536 3.204469 3.617553 4.580234 3.946073 3.187487 4.193129 3.117789 3.171017 3.281452 4.256307 3.929318 4.547177 2.816543 4.269014 2.700232 4.236217 0.000000 2.100000 3.042588 3.042727 4.359575 3.114958 4.359483 3.115650 4.889156 5.200879 5.200774 5.981587 4.030846 4.449019 4.465762 5.277229 3.795996 5.257847 3.978334 5.845469 4.760833 5.649185 6.245775 4.796970 4.603790 2.910390 5.901428 6.427632 6.435715 4.017416 5.658785 4.383209 5.387765 6.011633 6.888737 4.062827 0.000000 C13H20BIN(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 0 307.86126999999993 AuxInfo=1/0/N:23,26,15,13,18,19,20,12,14;8,4,6,2,3,1,36/E:(1,2)(5,6);(2,3)(4,5)/CRV:9.4;1.3,2.3,3.3,4.3,5.3,6.3/rA:36nC3C3C3C3HC3HC3HHHBCN4CHHCCCHHCHHCHHHHHHHHHI/rB:s1;s1;s2;s2;s3;s3;s4s6;s4;s6;s8;;s12;s12;s13;s13;s13;s14;s14;s14s15;s15;s15;s18;s18;s18;s19s23;s19;s19;s20;s20;s23;s23;s26;s26;s12;s1;/rC:2.807,-.0398,.0215;3.5865,.6976,-.8665;3.1944,-.1775,1.3523;4.7624,1.3036,-.418;3.2832,.8017,-1.9122;4.3713,.4294,1.7972;2.5831,-.7587,2.0484;5.1561,1.1707,.9137;5.3753,1.8818,-1.1146;4.6768,.321,2.8412;6.0764,1.6443,1.2631;-2.3692,-.0902,1.3263;-2.7643,-1.6326,1.558;-3.1977,.3287,-.0375;-3.9962,-1.8358,.6643;-1.9596,-2.3221,1.2325;-2.9814,-1.8965,2.6055;-2.3721,1.0658,-1.0284;-4.2724,1.3115,.2811;-3.7226,-.9645,-.5526;-4.1759,-2.8784,.3573;-4.9126,-1.4899,1.1714;-2.2965,2.4963,-.4886;-2.8915,1.0338,-2.0018;-1.3992,.5693,-1.128;-3.5248,2.6315,.4421;-4.8107,.9909,1.1808;-4.9733,1.35,-.5726;-2.9207,-1.4156,-1.1571;-4.5916,-.7887,-1.2087;-1.3679,2.6422,.078;-2.3052,3.2244,-1.3114;-3.2003,2.7418,1.4853;-4.1671,3.4857,.1876;-1.654,.584,1.9793;1.0372,-.9492,-.65; 0.6622946 0.1674291 0.1545144 -14.51372 -10.34739 -10.33971 -10.33823 -10.33790 -10.31568 -10.31441 -10.31340 -10.31269 -10.31103 -10.30539 -10.30477 -10.28607 -10.23974 -6.95555 -6.78518 -4.97850 -4.96278 -4.96226 -2.01254 -2.00760 -2.00714 -1.99378 -1.99375 -1.07664 -0.96404 -0.91217 -0.86328 -0.84836 -0.84431 -0.83657 -0.77846 -0.75545 -0.71339 -0.70483 -0.68851 -0.68316 -0.65772 -0.62224 -0.60937 -0.59554 -0.56151 -0.55261 -0.55090 -0.54180 -0.52530 -0.51609 -0.50953 -0.49501 -0.48978 -0.47572 -0.47553 -0.45985 -0.44940 -0.44165 -0.43830 -0.43787 -0.41592 -0.41382 -0.41031 -0.39862 -0.39330 -0.37369 -0.34520 -0.34129 -0.33437 -0.30766 -0.15140 0.04312 0.04876 0.05173 0.11767 0.13916 0.14753 0.15276 0.16235 0.17917 0.18108 0.18315 0.19199 0.19512 0.20189 0.20997 0.21234 0.22073 0.22327 0.22409 0.23026 0.23289 0.23604 0.24657 0.25593 0.26161 0.27169 0.27698 0.28823 0.31262 0.31922 0.32848 0.33194 0.35020 0.35747 0.36164 0.36464 0.37192 0.38123 0.39975 0.42163 0.43909 0.44078 0.45795 0.46734 0.47825 0.48867 0.49383 0.49551 0.50085 0.50678 0.51269 0.51782 0.52951 0.53832 0.54158 0.55134 0.55859 0.56143 0.56570 0.56703 0.58285 0.59687 0.59922 0.62173 0.62452 0.63550 0.64991 0.65322 0.65984 0.67281 0.68376 0.68926 0.69168 0.69865 0.71194 0.71313 0.71957 0.72325 0.73048 0.73521 0.73729 0.74332 0.74457 0.74602 0.75171 0.75780 0.75952 0.76308 0.76667 0.77359 0.78307 0.78640 0.78844 0.79412 0.80297 0.80459 0.80616 0.81143 0.81936 0.82530 0.83418 0.84033 0.84442 0.85314 0.86225 0.87560 0.89975 0.91183 0.93810 0.95271 0.95640 0.96968 0.97839 1.02248 1.03141 1.03489 1.05878 1.07499 1.12379 1.14337 1.16343 1.17997 1.22045 1.23091 1.25495 1.27750 1.31875 1.32032 1.32999 1.33513 1.34973 1.35341 1.36770 1.37963 1.38038 1.41524 1.43460 1.44331 1.46296 1.47996 1.48754 1.50476 1.52901 1.54747 1.56659 1.57480 1.57807 1.64138 1.68623 1.70209 1.74159 1.74354 1.74595 1.77739 1.78314 1.79404 1.79855 1.81155 1.82532 1.82660 1.82815 1.82952 1.84082 1.85213 1.86335 1.86415 1.87032 1.87812 1.88558 1.89124 1.89643 1.90780 1.90983 1.91260 1.91671 1.92512 1.93266 1.93559 1.93721 1.94723 1.96007 1.97870 1.99323 2.00351 2.00780 2.01531 2.02593 2.02875 2.05350 2.05616 2.06217 2.06346 2.07007 2.08711 2.09690 2.09905 2.14602 2.16621 2.16937 2.17306 2.20287 2.21608 2.21644 2.23060 2.25577 2.26611 2.26941 2.30754 2.32905 2.34859 2.36082 2.37224 2.38032 2.38334 2.39761 2.41103 2.42016 2.42105 2.42889 2.46687 2.47317 2.50454 2.51567 2.56419 2.59042 2.60313 2.62461 2.65551 2.67541 2.67778 2.68516 2.72133 2.72775 2.73667 2.74231 2.76198 2.79338 2.80198 2.80398 2.83830 2.84545 2.89224 2.89353 2.90699 2.93755 2.94464 2.95297 2.97101 2.99016 3.02357 3.03271 3.04752 3.08290 3.09461 3.10080 3.12023 3.13270 3.17430 3.17732 3.18355 3.22920 3.26589 3.27687 3.67329 18.92041 19.05774 19.51514 56.65233 -14.51453 -10.34737 -10.33887 -10.33788 -10.33776 -10.31566 -10.31439 -10.31340 -10.31270 -10.31101 -10.30539 -10.30471 -10.28593 -10.24058 -6.95547 -6.77826 -4.97846 -4.96272 -4.96217 -2.01249 -2.00756 -2.00707 -1.99370 -1.99367 -1.07579 -0.96400 -0.91167 -0.86316 -0.84833 -0.84373 -0.83546 -0.77816 -0.75345 -0.71048 -0.70481 -0.68757 -0.68308 -0.65653 -0.61931 -0.60929 -0.59461 -0.55990 -0.55258 -0.54848 -0.54177 -0.52194 -0.51608 -0.50669 -0.49409 -0.48929 -0.47562 -0.46602 -0.45768 -0.44713 -0.44097 -0.43828 -0.43611 -0.41565 -0.41315 -0.40898 -0.39478 -0.38880 -0.37315 -0.34123 -0.33965 -0.33386 -0.30708 0.04292 0.04854 0.05173 0.09813 0.11811 0.13951 0.14785 0.15270 0.16237 0.17932 0.18154 0.18541 0.19319 0.19841 0.20398 0.20982 0.21391 0.22133 0.22325 0.22454 0.23145 0.23318 0.23681 0.24932 0.25620 0.26512 0.27318 0.27885 0.28781 0.31482 0.32174 0.32888 0.33409 0.35092 0.35907 0.36169 0.36470 0.37232 0.38378 0.40097 0.42363 0.43937 0.44304 0.45925 0.47963 0.48480 0.48922 0.49393 0.49699 0.50429 0.51154 0.51482 0.52329 0.53348 0.53981 0.54839 0.55200 0.55939 0.56197 0.56580 0.56831 0.58872 0.59911 0.60232 0.62180 0.62550 0.63775 0.65044 0.65353 0.66010 0.67375 0.68392 0.69004 0.69176 0.70003 0.71325 0.71392 0.71991 0.72522 0.73212 0.73752 0.73848 0.74366 0.74480 0.74652 0.75191 0.75941 0.76053 0.76310 0.76687 0.77386 0.78325 0.78713 0.78860 0.79437 0.80458 0.80564 0.80677 0.81150 0.81954 0.82655 0.83475 0.84265 0.84515 0.85543 0.86357 0.87815 0.90203 0.91187 0.93941 0.95494 0.95871 0.96998 0.97988 1.02423 1.03198 1.03604 1.06158 1.07545 1.12811 1.14398 1.16370 1.18526 1.22266 1.23721 1.25504 1.28036 1.31879 1.32036 1.34427 1.34813 1.35223 1.35379 1.36815 1.37969 1.38358 1.41782 1.43896 1.44544 1.46727 1.48479 1.49282 1.51248 1.53251 1.54758 1.56810 1.57743 1.59844 1.64437 1.68781 1.70928 1.74175 1.74505 1.74956 1.78221 1.78324 1.79496 1.79959 1.81159 1.82547 1.82734 1.82828 1.82957 1.84172 1.85275 1.86344 1.86511 1.87033 1.87988 1.88632 1.89207 1.89683 1.90823 1.91111 1.91315 1.91799 1.92637 1.93504 1.93625 1.93984 1.94941 1.96099 1.98194 1.99463 2.00361 2.00817 2.01745 2.02595 2.03235 2.05446 2.05618 2.06326 2.06510 2.07054 2.08952 2.09712 2.10040 2.14703 2.16851 2.16940 2.17407 2.20375 2.21611 2.21647 2.23308 2.25581 2.26773 2.27044 2.31045 2.33028 2.34865 2.36156 2.37229 2.38035 2.38397 2.39765 2.41240 2.42019 2.42108 2.42932 2.46782 2.47394 2.50654 2.51646 2.56535 2.59260 2.60316 2.62519 2.65648 2.67547 2.67871 2.68519 2.72137 2.72821 2.73714 2.74329 2.76328 2.79382 2.80199 2.80398 2.83913 2.84615 2.89242 2.89560 2.90745 2.93801 2.94466 2.95300 2.97186 2.99037 3.02421 3.03399 3.04822 3.08400 3.09465 3.10108 3.12069 3.13308 3.17445 3.17852 3.18356 3.22906 3.26616 3.27689 3.67331 18.92054 19.05785 19.51517 56.65236 2-A. -0.8186 2.3241 -2.9305 3.8287 -98.4059 -118.3453 -119.6901 0.2594 11.5359 -1.2179 13.7412 -6.1982 -7.5430 0.2594 11.5359 -1.2179 45.0422 -36.8802 -47.5548 5.0720 35.5212 -21.8341 43.0453 -12.9482 -21.2213 -7.7291 -6990.7172 -1418.0509 -824.8016 62.5812 108.4984 -91.6500 32.5244 51.2997 20.0384 -1446.1322 -1333.9871 -375.4145 6.4458 0.1350 -12.9035 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.86126999999993 AuxInfo=1/0/N:23,26,15,13,18,19,20,12,36,14;8,4,6,2,3,1/E:(1,2)(5,6);(2,3)(4,5)/CRV:8.4,10.4;1.3,2.3,3.3,4.3,5.3,6.2/rA:36nC2C3C3C3HC3HC3HHHB4CN4CHHCCCHHCHHCHHHHHHHHHI/rB:s1;s1;s2;s2;s3;s3;s4s6;s4;s6;s8;;s12;s12;s13;s13;s13;s14;s14;s14s15;s15;s15;s18;s18;s18;s19s23;s19;s19;s20;s20;s23;s23;s26;s26;s12;s12;/rC:-1.9765,.8044,.3774;-2.0384,1.2174,-.9354;-2.3768,-.4259,.8502;-2.5613,.3029,-1.8606;-1.7001,2.2086,-1.2479;-2.8971,-1.324,-.0922;-2.2878,-.6998,1.9041;-2.9876,-.9583,-1.4375;-2.6383,.5819,-2.9148;-3.2329,-2.313,.2301;-3.3976,-1.6634,-2.1638;2.8587,-.0989,-.5436;3.5467,1.0102,-1.5118;1.7472,-.7563,-1.5702;2.6179,1.1575,-2.7413;3.6761,1.9705,-.9949;4.5555,.6981,-1.8265;.5966,-1.4982,-.9931;2.4552,-1.8147,-2.3553;1.3367,.4022,-2.4034;2.383,2.2031,-2.9869;3.0771,.7239,-3.6443;1.2063,-2.8019,-.5033;-.1309,-1.6688,-1.8034;.1162,-.8956,-.2152;2.3403,-3.0915,-1.5109;3.4884,-1.5079,-2.5555;1.9309,-1.9208,-3.3188;.6692,1.0091,-1.7757;.7644,.0491,-3.2768;1.6116,-2.6608,.5083;.4553,-3.6016,-.4563;3.2836,-3.3059,-.993;2.1152,-3.9521,-2.156;3.5442,-.9864,-.0812;1.7865,.8714,1.2385; 0.000000 1.377553 0.000000 1.377527 2.450134 0.000000 2.366836 1.402072 2.813031 0.000000 2.165549 1.092959 3.435188 2.179158 0.000000 2.366073 2.811970 1.401870 2.426250 3.904843 0.000000 2.165756 3.435160 1.092551 3.905455 4.328884 2.178493 0.000000 2.724546 2.426236 2.426883 1.396830 3.423801 1.397089 3.423815 0.000000 3.365391 2.163758 3.906278 1.093262 2.510901 3.415674 4.998716 2.162550 0.000000 3.364364 3.905010 2.163011 3.415355 4.997893 1.093052 2.509587 2.162480 4.315611 0.000000 3.816735 3.414023 3.414307 2.158125 4.325794 2.158123 4.325274 1.092197 2.486348 2.485942 0.000000 5.004349 5.086059 5.427762 5.592258 5.157916 5.902074 5.730550 5.976356 6.025260 6.527540 6.649446 0.000000 5.840972 5.618577 6.536803 6.158769 5.388419 6.999070 6.973837 6.824752 6.356583 7.748630 7.469764 1.625129 0.000000 4.482683 4.316127 4.793195 4.446325 4.558330 4.906779 5.324939 4.740927 4.778229 5.519568 5.257828 1.649701 2.522336 0.000000 5.564083 4.994576 6.352418 5.322659 4.688303 6.602371 7.006813 6.131688 5.290450 7.423312 6.669154 2.542999 1.547935 2.406737 0.000000 5.932456 5.764164 6.766436 6.514283 5.387410 7.407807 7.148611 7.292307 6.744296 8.220899 8.037982 2.270329 1.098253 3.389245 2.197911 0.000000 6.894546 6.674034 7.515642 7.127887 6.461345 7.914425 7.918475 7.732560 7.276568 8.599725 8.303177 2.271587 1.101841 3.172920 2.191412 1.756136 0.000000 3.714966 3.784300 3.659032 3.737511 4.368102 3.612179 4.165428 3.651717 4.299351 4.101798 4.165534 2.697694 3.907022 1.485758 3.767647 4.638501 4.603428 0.000000 5.828112 5.603734 5.962546 5.467583 5.888952 5.831768 6.471583 5.585618 5.656880 6.267887 5.857898 2.527689 3.143768 1.495983 3.001627 4.203516 3.317431 2.325982 0.000000 4.344083 3.769663 5.006115 3.936881 3.717537 5.123117 5.736318 4.634945 4.011754 5.931974 5.170853 2.454934 2.459439 1.484884 1.525205 3.149009 3.283468 2.479584 2.483580 0.000000 5.681514 4.972827 6.655128 5.415369 4.438029 6.978510 7.359693 6.421674 5.277021 7.891930 7.003070 3.390489 2.225518 3.342037 1.099383 2.386249 2.886360 4.567979 4.067780 2.162981 0.000000 6.458997 5.809452 7.160125 5.928840 5.546944 7.245881 7.848159 6.669319 5.763518 8.003102 7.057857 3.215447 2.202228 2.874296 1.101903 2.988650 2.343197 4.256742 2.914270 2.161596 1.761187 0.000000 4.889860 5.183505 4.507276 5.067189 5.840042 4.380732 4.735279 4.675431 5.660907 4.525803 5.024885 3.168291 4.585488 2.369627 4.762148 5.396037 5.021735 1.520203 2.442141 3.727361 5.709838 5.079050 0.000000 3.778735 3.566792 3.691951 3.130143 4.219600 3.270976 4.397379 2.966351 3.547932 3.764644 3.286571 3.604117 4.559269 2.101034 4.052586 5.328355 5.250231 1.102259 2.648317 2.608190 4.765672 4.405109 2.182247 0.000000 2.760552 3.102519 2.751520 3.363440 3.741875 3.046093 3.210790 3.336333 4.130133 3.663839 4.090661 2.874735 4.133021 2.124951 4.105486 4.636315 4.984321 1.094961 3.300820 2.821667 4.735245 4.811255 2.214709 1.783592 0.000000 6.113781 6.170122 5.910279 5.972449 6.669691 5.706802 6.229135 5.739532 6.344383 5.890482 5.948954 3.187420 4.275396 2.410037 4.432227 5.260617 4.400818 2.418093 1.534980 3.742914 5.496564 4.432942 1.544431 2.866446 3.383373 0.000000 6.619196 6.371623 6.868085 6.353094 6.514831 6.846695 7.342081 6.594743 6.483308 7.320112 6.898977 2.535642 2.726430 2.137218 2.810108 3.817065 2.556630 3.286974 1.096319 2.881270 3.896042 2.517040 3.330801 3.700156 4.150150 2.217434 0.000000 6.029537 5.593158 6.178246 5.220250 5.875705 5.837510 6.823942 5.353180 5.225314 6.277938 5.458323 3.446971 3.803489 2.108865 3.206428 4.856765 3.996731 2.714342 1.101975 2.566554 4.161790 2.900707 3.037784 2.571109 3.738418 2.192351 1.782989 0.000000 3.417175 2.842623 4.269957 3.307935 2.707602 4.582152 5.020444 4.166144 3.524151 5.503251 4.881795 2.745875 2.889578 2.078648 2.179876 3.251963 3.899030 2.627607 3.391079 1.098978 2.414509 3.061193 4.053451 2.794963 2.523620 4.435869 3.858909 3.543548 0.000000 4.629899 3.834426 5.208169 3.623673 3.854031 5.043254 6.059597 4.298302 3.463160 5.818643 4.636200 3.446539 3.432188 2.127718 2.224979 4.168517 4.110553 2.763684 2.679874 1.102275 2.709851 2.436969 4.001956 2.433862 3.268942 3.932561 3.219440 2.289723 1.784349 0.000000 4.989921 5.517875 4.584676 5.639901 6.145145 4.740913 4.582510 5.276092 6.347801 4.864944 5.764365 3.037234 4.615380 2.822320 5.113913 5.288717 5.039815 2.153137 3.102842 4.235009 6.038920 5.554069 1.098899 3.060165 2.423962 2.189473 3.773403 3.911003 4.424082 4.731643 0.000000 5.101105 5.447051 4.451119 5.130010 6.247437 4.069229 4.638555 4.450081 5.754690 3.966637 4.638725 4.248810 5.651496 3.317427 5.705007 6.458440 6.097214 2.175334 3.286116 4.538520 6.619209 5.978879 1.098021 2.427799 2.737722 2.219422 4.241491 3.632677 4.800467 4.623710 1.775509 0.000000 6.814736 6.984726 6.612989 6.923795 7.437168 6.552888 6.798919 6.710888 7.340086 6.704184 6.979077 3.266007 4.355101 3.032144 4.839581 5.290961 4.283006 3.238449 2.183033 4.419207 5.927473 4.828141 2.192963 3.872411 4.055428 1.097253 2.390845 3.026134 5.105498 4.776809 2.337840 2.893897 0.000000 6.766408 6.742827 6.453625 6.329474 7.303099 6.024086 6.815302 5.959649 6.612779 6.081277 5.969076 4.242586 5.204677 3.269830 5.167535 6.233930 5.261925 3.111271 2.173385 4.430265 6.216762 5.000527 2.209204 3.222234 4.135764 1.098860 2.831890 2.347832 5.181565 4.369284 3.003257 2.401511 1.770676 0.000000 5.821957 6.062289 6.019977 6.488906 6.250767 6.450156 6.167340 6.671131 6.979391 6.912719 7.279050 1.212933 2.456243 2.344996 3.539857 3.097686 2.627975 3.127603 2.653954 3.491950 4.468111 3.979772 2.989959 4.115568 3.431816 2.815040 2.529229 3.735945 3.888264 4.360168 2.624094 4.064564 2.505796 3.891249 0.000000 3.860837 4.413052 4.378054 5.369461 4.486291 5.341064 4.417254 5.770650 6.075554 6.029284 6.698986 2.294979 3.268272 3.246441 4.075747 3.125091 4.134146 3.465712 4.536271 3.699377 4.470200 5.052562 4.106528 4.402543 2.832978 4.854929 4.790805 5.346532 3.217505 4.701960 3.611140 4.965058 4.966935 5.907353 2.877960 0.000000 C13H20BIN(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 0 307.86126999999993 AuxInfo=1/0/N:23,26,15,13,18,19,20,12,36,14;8,4,6,2,3,1/E:(1,2)(5,6);(2,3)(4,5)/CRV:8.4,10.4;1.3,2.3,3.3,4.3,5.3,6.2/rA:36nC2C3C3C3HC3HC3HHHB4CN4CHHCCCHHCHHCHHHHHHHHHI/rB:s1;s1;s2;s2;s3;s3;s4s6;s4;s6;s8;;s12;s12;s13;s13;s13;s14;s14;s14s15;s15;s15;s18;s18;s18;s19s23;s19;s19;s20;s20;s23;s23;s26;s26;s12;s12;/rC:2.6674,-1.4307,-.4174;2.7103,-.6684,-1.5641;3.1933,-1.0712,.804;3.3522,.5747,-1.4717;2.2696,-1.0099,-2.5041;3.831,.1753,.873;3.1133,-1.7155,1.6827;3.9083,.9897,-.2595;3.4197,1.217,-2.3538;4.2689,.5081,1.8176;4.4103,1.9577,-.197;-2.0151,.267,.0678;-2.8027,.394,-1.3481;-.8153,1.3787,-.1468;-1.8704,1.1809,-2.3009;-3.05,-.5933,-1.7607;-3.7631,.9204,-1.2275;.3989,1.2889,.7047;-1.383,2.7086,.2365;-.5199,1.2745,-1.5983;-1.7493,.7037,-3.2839;-2.2588,2.1936,-2.495;-.0707,1.7682,2.0688;1.158,1.9634,.2759;.792,.2671,.6877;-1.1434,2.8318,1.7476;-2.4398,2.7641,-.0501;-.8299,3.4801,-.323;.0617,.3509,-1.7265;.1068,2.1248,-1.9133;-.5107,.927,2.6224;.7642,2.1621,2.6633;-2.0674,2.6427,2.3084;-.8094,3.8489,1.9956;-2.6062,.5162,1.0973;-1.0967,-1.8172,.3495; 0.4165331 0.3023132 0.2361027 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 53. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 349 349 349 349 349 MxSgAt= 36 MxSgA2= 36. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 53. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 353 353 353 353 353 MxSgAt= 36 MxSgA2= 36. 1 0.7547 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 C C C C H C H C H H H B C N C H H C C C H H C H H C H H H H H H H H H I 13 13 13 13 1 13 1 13 1 1 1 11 13 14 13 1 1 13 13 13 1 1 13 1 1 13 1 1 1 1 1 1 1 1 1 127 0.00122 0.00067 0.00015 0.00004 0.00001 -0.00019 -0.00001 0.00025 0.00002 0.00001 -0.00002 0.10217 -0.04325 -0.04635 0.00958 0.01899 0.00876 0.03477 0.07110 0.00008 0.00008 -0.00015 0.00068 0.00164 0.00033 0.00558 0.00042 0.00290 0.00016 0.00025 0.00002 0.00003 -0.00007 -0.00002 -0.01294 0.00003 1.37306 0.75326 0.16848 0.04939 0.05074 -0.21295 -0.03049 0.27916 0.07134 0.04642 -0.08919 146.54812 -48.62463 -14.97653 10.76919 84.86682 39.15434 39.09285 79.93283 0.09023 0.35613 -0.66873 0.76211 7.32039 1.45687 6.26755 1.87806 12.94396 0.71158 1.12294 0.07264 0.11812 -0.32584 -0.07178 -57.85657 0.02261 0.48994 0.26878 0.06012 0.01762 0.01810 -0.07599 -0.01088 0.09961 0.02546 0.01656 -0.03183 52.29201 -17.35048 -5.34400 3.84271 30.28259 13.97124 13.94930 28.52202 0.03220 0.12708 -0.23862 0.27194 2.61210 0.51985 2.23642 0.67014 4.61873 0.25391 0.40069 0.02592 0.04215 -0.11627 -0.02561 -20.64466 0.00807 0.45800 0.25126 0.05620 0.01647 0.01692 -0.07103 -0.01017 0.09312 0.02380 0.01548 -0.02975 48.88319 -16.21943 -4.99563 3.59221 28.30853 13.06048 13.03997 26.66272 0.03010 0.11879 -0.22306 0.25421 2.44182 0.48596 2.09063 0.62645 4.31764 0.23736 0.37457 0.02423 0.03940 -0.10869 -0.02394 -19.29888 0.00754 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 0.002138 0.000335 0.001450 0.000993 0.000597 0.001032 0.002054 0.000510 0.000421 0.000708 0.000486 0.202527 0.003695 -0.000807 -0.000475 -0.005898 -0.005225 -0.012935 -0.004289 0.001321 -0.000218 0.005167 -0.003085 -0.002731 -0.001972 -0.004367 0.009268 0.001226 -0.003181 0.000444 -0.002526 -0.001679 -0.005448 -0.001208 0.019299 0.001059 -0.000884 0.000746 -0.000139 -0.000826 -0.000501 -0.000836 -0.001140 0.000453 -0.000221 -0.000381 -0.000181 -0.176762 -0.004087 0.010684 0.000544 0.013334 0.007557 0.006692 0.014460 -0.004368 0.002311 0.000241 0.003324 -0.002216 -0.006593 0.004199 -0.008128 -0.002057 -0.001935 -0.002314 0.004989 0.001578 0.009392 0.002591 -0.017433 -0.001563 -0.001254 -0.001081 -0.001311 -0.000167 -0.000096 -0.000197 -0.000914 -0.000963 -0.000201 -0.000327 -0.000305 -0.025766 0.000392 -0.009877 -0.000069 -0.007437 -0.002332 0.006243 -0.010171 0.003047 -0.002093 -0.005408 -0.000240 0.004947 0.008565 0.000168 -0.001140 0.000831 0.005116 0.001871 -0.002463 0.000101 -0.003943 -0.001384 -0.001866 0.000504 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 0.002278 -0.000064 -0.000764 0.000583 0.000225 0.000596 -0.000362 -0.000723 0.000208 0.000110 0.000186 -0.158410 -0.005019 0.001335 0.006444 -0.000539 0.002548 -0.003065 -0.020625 0.004052 0.003339 0.005954 -0.000023 -0.000469 -0.000401 -0.003365 -0.008004 -0.002389 0.001639 0.000966 0.002516 0.000110 -0.002761 -0.001898 0.014831 -0.002351 0.000268 -0.000626 -0.000145 -0.000003 -0.000636 0.000275 0.000600 -0.000260 -0.000175 0.000263 0.000056 -0.308342 -0.005106 -0.018758 0.005499 -0.000597 -0.001620 0.001387 0.008311 0.006287 0.001307 0.001542 -0.000245 0.002146 -0.004685 0.002492 0.000451 0.005256 0.003877 0.003761 -0.001286 -0.000139 0.000547 0.000973 0.004422 -0.004194 0.000443 0.000053 0.000551 -0.000254 -0.000235 -0.000177 -0.000105 0.000436 -0.000053 0.000020 0.000056 0.113386 -0.000356 0.006271 0.003524 -0.001089 -0.007533 -0.020072 -0.016100 0.004818 0.002248 0.001387 -0.005167 -0.002265 -0.006233 -0.003492 -0.003090 -0.002078 0.005580 0.001525 -0.003437 -0.002357 -0.001261 -0.001467 0.036389 0.001898 -0.4335 0.8557 -0.2824 -0.2159 0.2057 0.9545 0.8749 0.4747 0.0956 -0.0022 -0.0012 0.0034 -0.293 -0.164 0.457 -0.105 -0.058 0.163 -0.098 -0.055 0.152 1 C 13 0.3535 -0.0131 0.9354 0.8751 0.358 -0.3257 -0.3306 0.9336 0.138 -0.0013 5.0E-4 8.0E-4 -0.177 0.073 0.104 -0.063 0.026 0.037 -0.059 0.024 0.035 2 C 13 -0.0557 -0.3921 0.9182 0.4043 0.8321 0.3798 0.9129 -0.3924 -0.1122 -0.0015 -3.0E-4 0.0018 -0.206 -0.035 0.241 -0.074 -0.012 0.086 -0.069 -0.012 0.08 3 C 13 -0.2627 0.9286 0.2621 0.128 -0.2357 0.9634 0.9563 0.2866 -0.057 -0.0011 -1.0E-4 0.0012 -0.143 -0.014 0.157 -0.051 -0.005 0.056 -0.048 -0.005 0.052 4 C 13 0.1206 0.8412 0.527 0.5348 -0.5023 0.6794 0.8363 0.1999 -0.5105 -6.0E-4 -4.0E-4 0.001 -0.329 -0.226 0.554 -0.117 -0.081 0.198 -0.11 -0.075 0.185 5 H 1 -0.294 0.9155 0.2746 -0.066 -0.306 0.9497 0.9535 0.2611 0.1504 -0.0011 -2.0E-4 0.0012 -0.145 -0.021 0.166 -0.052 -0.008 0.059 -0.048 -0.007 0.055 6 C 13 0.0669 0.9722 0.2244 -0.2106 -0.2061 0.9556 0.9753 -0.1112 0.1909 -0.0012 -0.001 0.0022 -0.634 -0.546 1.181 -0.226 -0.195 0.421 -0.212 -0.182 0.394 7 H 1 0.0424 -0.2533 0.9665 0.7208 0.6776 0.1459 0.6919 -0.6904 -0.2113 -0.0011 -2.0E-4 0.0013 -0.146 -0.03 0.176 -0.052 -0.011 0.063 -0.049 -0.01 0.059 8 C 13 -0.2772 0.9604 0.0265 0.2409 0.0428 0.9696 0.9301 0.2752 -0.2433 -3.0E-4 -2.0E-4 5.0E-4 -0.15 -0.132 0.282 -0.054 -0.047 0.101 -0.05 -0.044 0.094 9 H 1 -0.2196 0.7654 0.6049 -0.1192 -0.6364 0.7621 0.9683 0.0952 0.231 -4.0E-4 -4.0E-4 8.0E-4 -0.212 -0.205 0.417 -0.076 -0.073 0.149 -0.071 -0.069 0.139 10 H 1 0.0251 -0.3875 0.9215 -0.2662 0.886 0.3798 0.9636 0.2548 0.0809 -3.0E-4 -2.0E-4 5.0E-4 -0.174 -0.114 0.288 -0.062 -0.041 0.103 -0.058 -0.038 0.096 11 H 1 0.4505 -0.3425 0.8245 0.4237 0.8949 0.1402 0.7858 -0.2862 -0.5483 -0.2413 -0.234 0.4754 -41.322 -40.066 81.388 -14.745 -14.297 29.041 -13.784 -13.365 27.148 12 B 11 0.5122 0.778 0.3639 0.2697 -0.5479 0.7918 0.8154 -0.3074 -0.4905 -0.0076 -0.0011 0.0087 -1.014 -0.148 1.162 -0.362 -0.053 0.415 -0.338 -0.049 0.388 13 C 13 0.6018 -0.1576 0.7829 0.5191 0.8222 -0.2335 0.6069 -0.547 -0.5766 -0.0256 0.0097 0.0158 -0.986 0.376 0.61 -0.352 0.134 0.218 -0.329 0.125 0.203 14 N 14 0.7874 -0.4943 -0.3684 -0.0409 -0.6382 0.7688 0.6151 0.5902 0.5227 -0.0071 -0.0033 0.0104 -0.952 -0.441 1.393 -0.34 -0.157 0.497 -0.318 -0.147 0.465 15 C 13 0.3278 0.0572 0.943 0.9444 0.0079 -0.3287 -0.0263 0.9983 -0.0514 -0.0077 -0.0057 0.0134 -4.114 -3.038 7.152 -1.468 -1.084 2.552 -1.372 -1.013 2.386 16 H 1 0.2808 0.4142 0.8658 0.9444 -0.2798 -0.1724 0.1709 0.8661 -0.4698 -0.0065 -0.0057 0.0121 -3.447 -3.033 6.48 -1.23 -1.082 2.312 -1.15 -1.012 2.162 17 H 1 0.6393 0.5744 0.5112 0.7648 -0.4066 -0.4997 -0.0792 0.7104 -0.6993 -0.0146 -0.0122 0.0268 -1.957 -1.639 3.595 -0.698 -0.585 1.283 -0.653 -0.547 1.199 18 C 13 0.4792 0.6014 0.6393 0.7266 0.1367 -0.6733 -0.4923 0.7872 -0.3715 -0.0191 -0.0159 0.035 -2.561 -2.13 4.691 -0.914 -0.76 1.674 -0.854 -0.71 1.565 19 C 13 -0.2192 0.9256 -0.3087 0.7641 -0.0338 -0.6442 0.6066 0.3771 0.6998 -0.0069 -0.0042 0.0111 -0.93 -0.558 1.488 -0.332 -0.199 0.531 -0.31 -0.186 0.496 20 C 13 0.1118 -0.4429 0.8896 0.8399 -0.4363 -0.3227 0.5311 0.7833 0.3232 -0.003 -0.0025 0.0055 -1.626 -1.31 2.936 -0.58 -0.467 1.048 -0.542 -0.437 0.979 21 H 1 -0.0315 -0.1961 0.9801 -0.5689 0.8097 0.1438 0.8218 0.5531 0.1371 -0.0057 -0.0037 0.0094 -3.06 -1.972 5.032 -1.092 -0.704 1.796 -1.021 -0.658 1.679 22 H 1 0.2331 0.5624 0.7934 0.9724 -0.1451 -0.1829 0.0123 0.8141 -0.5806 -0.004 -0.003 0.007 -0.533 -0.407 0.941 -0.19 -0.145 0.336 -0.178 -0.136 0.314 23 C 13 0.925 -0.2291 -0.303 0.2946 0.9362 0.1914 0.2398 -0.2663 0.9336 -0.0033 -0.0028 0.0061 -1.77 -1.508 3.278 -0.632 -0.538 1.17 -0.59 -0.503 1.094 24 H 1 0.2864 0.8797 0.3796 0.912 -0.3718 0.1735 -0.2938 -0.2965 0.9087 -0.0094 -0.0027 0.0121 -5.022 -1.441 6.463 -1.792 -0.514 2.306 -1.675 -0.481 2.156 25 H 1 0.9395 0.2246 -0.2585 0.1 0.5419 0.8345 -0.3275 0.8099 -0.4866 -0.0059 -0.0018 0.0077 -0.786 -0.242 1.028 -0.28 -0.086 0.367 -0.262 -0.081 0.343 26 C 13 0.3377 0.9086 0.2459 -0.1957 -0.1877 0.9625 0.9207 -0.3731 0.1144 -0.0119 -6.0E-4 0.0126 -6.37 -0.335 6.706 -2.273 -0.12 2.393 -2.125 -0.112 2.237 27 H 1 0.7151 0.128 -0.6872 0.1352 0.9392 0.3156 0.6858 -0.3186 0.6543 -0.0043 -0.0031 0.0074 -2.269 -1.654 3.923 -0.81 -0.59 1.4 -0.757 -0.552 1.308 28 H 1 0.4858 0.681 -0.5479 0.8164 -0.5774 0.0061 0.3123 0.4503 0.8365 -0.0053 -0.0043 0.0096 -2.805 -2.3 5.105 -1.001 -0.821 1.821 -0.935 -0.767 1.703 29 H 1 0.4017 0.7336 -0.5482 0.6774 -0.6409 -0.3612 0.6163 0.2263 0.7543 -0.0029 -0.0025 0.0054 -1.561 -1.321 2.882 -0.557 -0.471 1.028 -0.521 -0.441 0.961 30 H 1 0.4034 0.2277 0.8862 0.8714 -0.3912 -0.2962 0.2792 0.8917 -0.3562 -0.0039 -0.0032 0.0071 -2.097 -1.717 3.814 -0.748 -0.613 1.361 -0.7 -0.573 1.272 31 H 1 0.8659 0.2718 0.4199 -0.499 0.527 0.688 0.0343 0.8053 -0.5919 -0.0017 -0.0016 0.0033 -0.913 -0.856 1.769 -0.326 -0.305 0.631 -0.305 -0.285 0.59 32 H 1 0.9738 0.1616 -0.1601 0.1413 0.1214 0.9825 -0.1782 0.9794 -0.0954 -0.006 -0.004 0.01 -3.199 -2.145 5.345 -1.142 -0.765 1.907 -1.067 -0.716 1.783 33 H 1 0.754 0.0979 -0.6495 0.5358 0.4802 0.6945 -0.3799 0.8717 -0.3096 -0.0023 -0.0016 0.0039 -1.223 -0.879 2.102 -0.436 -0.314 0.75 -0.408 -0.293 0.701 34 H 1 -0.133 0.7846 -0.6056 0.7887 -0.2862 -0.5441 0.6002 0.55 0.5807 -0.048 0.0109 0.0372 -25.63 5.798 19.832 -9.145 2.069 7.077 -8.549 1.934 6.615 35 H 1 -3.22048265e-01 9.14368656e-01 -1.15293689e+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 6 6 6 6 1 6 1 6 1 1 1 5 6 7 6 1 1 6 6 6 1 1 6 1 1 6 1 1 1 1 1 1 1 1 1 53 -0.001834599 -0.000169134 0.000119486 -0.004295976 -0.002185456 -0.003518081 0.001819024 0.001217416 0.005414910 0.001493258 0.000687476 0.000785990 -0.000101220 0.000024991 0.001522811 -0.000127345 -0.000137719 -0.002022640 -0.001013087 -0.000826366 -0.000656229 0.000307988 0.000121846 -0.000208753 0.000949065 0.000357865 -0.000233455 0.000683252 0.000141007 -0.000896001 0.000262145 0.000076974 -0.000184160 0.017696378 0.021278033 -0.011147449 -0.001008754 -0.003099659 -0.001530670 -0.005134579 -0.004257551 0.012750427 -0.000868200 0.000901800 0.000723505 0.000455998 0.002530142 0.000116048 0.000143305 -0.000004695 0.000617115 -0.000392624 -0.001146990 -0.002325996 0.001020001 -0.001499944 -0.001221027 -0.001142732 0.001099982 0.002195996 -0.000019041 0.000284900 -0.000655339 -0.000128040 -0.000152407 0.000152813 -0.000127531 0.000592666 0.000070352 0.000193053 -0.000507457 -0.000570926 0.000809960 -0.001382271 -0.000123383 0.000119143 0.000124048 0.000089323 0.000036071 0.000290603 -0.000322303 0.000095146 -0.000550818 -0.000184682 -0.000075264 -0.000054627 -0.000086664 -0.000521372 -0.000829882 0.000493916 -0.000411867 0.000247637 0.000002324 -0.000068467 0.000081987 0.000168651 0.000173671 -0.000557871 -0.000117225 -0.000017096 0.000051051 0.000313711 -0.009239176 -0.015141127 -0.000231341 0.000269513 0.002393554 0.000698948 0.021278033 0.003792829 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) 0.7546 0.7546 0.7547 0.7554 0.7572 0.7635 0.7642 0.7725 0.7729 0.7674 0.7710 0.7752 0.7719 0.7787 0.7778 0.7688 0.7638 0.7637 0.7630 0.7625 0.7622 0.7615 0.7619 0.7622 0.7622 0.7623 0.7624 0.7624 0.7626 0.7626 0.7626 0.7626 0.7626 0.7626 0.7625 0.7625 0.7626 0.7630 0.7623 0.7625 0.7625 0.7626 0.7625 0.7624 0.7622 0.7619 0.7620 0.7621 0.7621 0.7621 0.7621 0.7621 0.7621 0.7621 0.7621 0.7621 0.7621 0.7621 0.7621 0.7621 0.7621 0.7621 0.7621 0.7621 0.7621 0.7621 0.7621 open 1 1 1 -884.187600764683 -884.187601153777 -0.000000389095 -884.187601175770 -0.000000021993 -884.187601176268 -0.000000000498 -884.187601176502 -0.000000000234 -884.187601176535 -0.000000000033 -884.187601176520 0.000000000015 -884.187601177 7 0.7621 6.929069442023e+02 -4.642264376063e+03 1.737135620100e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572605822 LenY= 1572480772 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. 0.7621 (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 C C C C H C H C H H H B C N C H H C C C H H C H H C H H H H H H H H H I 13 13 13 13 1 13 1 13 1 1 1 11 13 14 13 1 1 13 13 13 1 1 13 1 1 13 1 1 1 1 1 1 1 1 1 127 0.55354 0.00511 0.00504 0.05837 0.01029 0.05862 0.01035 -0.01281 0.00227 0.00225 0.00113 -0.00008 0.00003 0.00023 0.00000 0.00001 0.00001 -0.00041 -0.00007 -0.00028 -0.00000 -0.00001 0.00003 0.00002 0.00002 -0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00012 0.00001 622.28183 5.74914 5.66698 65.61710 46.01489 65.90540 46.25519 -14.40074 10.13025 10.07456 5.05135 -0.10800 0.03587 0.07447 0.00308 0.06635 0.02430 -0.45846 -0.08055 -0.31267 -0.01266 -0.02776 0.02962 0.08214 0.10325 -0.01187 -0.00304 -0.00335 0.01534 0.05486 -0.01625 -0.00000 0.00223 0.00275 0.52312 0.00692 222.04563 2.05144 2.02212 23.41381 16.41926 23.51669 16.50500 -5.13854 3.61473 3.59485 1.80245 -0.03854 0.01280 0.02657 0.00110 0.02367 0.00867 -0.16359 -0.02874 -0.11157 -0.00452 -0.00991 0.01057 0.02931 0.03684 -0.00424 -0.00108 -0.00120 0.00547 0.01958 -0.00580 -0.00000 0.00080 0.00098 0.18666 0.00247 207.57088 1.91771 1.89030 21.88751 15.34891 21.98368 15.42907 -4.80357 3.37909 3.36051 1.68495 -0.03603 0.01197 0.02484 0.00103 0.02213 0.00811 -0.15293 -0.02687 -0.10429 -0.00422 -0.00926 0.00988 0.02740 0.03444 -0.00396 -0.00101 -0.00112 0.00512 0.01830 -0.00542 -0.00000 0.00074 0.00092 0.17450 0.00231 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 -0.109270 -0.082029 -0.063241 0.005792 -0.011531 0.008889 -0.009406 -0.035161 -0.005087 -0.002294 -0.001887 0.001427 0.001032 0.000934 0.000666 0.001210 0.000668 0.000254 0.000220 0.000740 0.000552 0.000328 -0.000131 -0.001504 0.000781 0.000036 0.000290 -0.000046 0.001538 -0.000084 0.000115 -0.000537 0.000136 -0.000120 0.000872 0.009207 0.640699 0.038832 0.004058 0.035808 -0.007161 0.031488 -0.011375 0.017975 0.002591 -0.001967 0.000538 -0.000037 -0.000359 0.000587 -0.000124 -0.000656 -0.000240 0.001164 0.000424 0.000311 -0.000353 0.000040 0.000467 0.003253 0.002300 0.000347 0.000196 0.000653 0.000248 0.001072 -0.000189 0.000556 0.000102 0.000398 -0.000283 -0.005118 -0.531429 0.043198 0.059183 -0.041600 0.018692 -0.040376 0.020781 0.017186 0.002496 0.004261 0.001349 -0.001390 -0.000673 -0.001521 -0.000541 -0.000554 -0.000428 -0.001418 -0.000644 -0.001052 -0.000199 -0.000367 -0.000336 -0.001749 -0.003081 -0.000383 -0.000486 -0.000607 -0.001786 -0.000988 0.000074 -0.000019 -0.000238 -0.000278 -0.000589 -0.004088 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 0.547704 0.047409 0.061572 0.018822 -0.000590 0.021025 0.000997 0.035471 0.001766 0.003320 0.001425 -0.001486 -0.000801 -0.001959 -0.000950 -0.000427 -0.000498 -0.002825 -0.000934 -0.001763 -0.000738 -0.000679 -0.001176 -0.002257 -0.006391 -0.000731 -0.000698 -0.000823 -0.003660 -0.001627 -0.000975 -0.000764 -0.000540 -0.000501 -0.000799 0.000421 0.004162 0.012802 0.059836 -0.009877 0.003815 -0.004195 0.009288 0.017791 -0.001547 0.005502 0.000954 -0.000350 0.000357 -0.000363 0.000598 0.000527 0.000157 -0.001143 -0.000153 0.000790 0.000854 0.000350 -0.000841 -0.000407 -0.004025 -0.000362 -0.000067 -0.000035 0.002373 0.000579 -0.001140 -0.000597 -0.000341 -0.000219 -0.000550 -0.003639 0.090433 -0.069324 0.033324 0.003825 -0.011384 0.014605 0.000772 -0.007993 -0.007695 0.005435 -0.000488 0.000162 -0.000232 0.000033 -0.000453 -0.000140 -0.000087 0.001793 0.000144 -0.000897 -0.000516 -0.000307 0.001149 0.001100 0.004649 0.000452 0.000042 0.000033 -0.002192 -0.000926 0.001053 0.001251 0.000344 0.000364 0.000234 -0.000060 0.1974 -0.1648 0.9664 0.8634 -0.4376 -0.251 0.4642 0.8839 0.0559 -0.546 -0.3881 0.9341 -73.268 -52.076 125.343 -26.144 -18.582 44.726 -24.439 -17.371 41.81 1 C 13 0.8757 -0.4063 -0.2607 0.4652 0.5656 0.681 0.1292 0.7176 -0.6843 -0.1078 -0.0056 0.1135 -14.471 -0.757 15.227 -5.163 -0.27 5.434 -4.827 -0.252 5.079 2 C 13 0.88 -0.4143 -0.2323 0.2078 0.7756 -0.596 0.4271 0.4762 0.7686 -0.108 -0.005 0.1131 -14.496 -0.678 15.174 -5.173 -0.242 5.414 -4.835 -0.226 5.062 3 C 13 0.2284 -0.0999 0.9684 0.8706 -0.4244 -0.249 0.4359 0.9 -0.01 -0.0443 -6.0E-4 0.0449 -5.948 -0.075 6.023 -2.122 -0.027 2.149 -1.984 -0.025 2.009 4 C 13 0.7987 -0.5273 -0.2899 0.592 0.7748 0.2219 0.1076 -0.3489 0.931 -0.0125 -0.0109 0.0234 -6.683 -5.801 12.484 -2.385 -2.07 4.455 -2.229 -1.935 4.164 5 H 1 0.1656 -0.2298 0.959 0.8587 -0.4446 -0.2548 0.4849 0.8657 0.1238 -0.0446 -8.0E-4 0.0454 -5.985 -0.101 6.086 -2.136 -0.036 2.172 -1.996 -0.034 2.03 6 C 13 0.8058 -0.5529 -0.2119 0.5255 0.8327 -0.1743 0.2728 0.0291 0.9616 -0.0125 -0.0109 0.0234 -6.686 -5.82 12.506 -2.386 -2.077 4.462 -2.23 -1.941 4.172 7 H 1 0.8666 -0.4312 -0.251 0.1982 -0.1641 0.9663 0.4579 0.8872 0.0568 -0.058 0.0222 0.0358 -7.778 2.978 4.8 -2.775 1.063 1.713 -2.595 0.993 1.601 8 C 13 0.9118 -0.3694 -0.1791 0.383 0.6083 0.6952 0.1479 0.7025 -0.6962 -0.0055 -0.0051 0.0106 -2.934 -2.716 5.65 -1.047 -0.969 2.016 -0.979 -0.906 1.885 9 H 1 0.8684 -0.4276 -0.251 0.2171 0.7831 -0.5828 0.4457 0.4516 0.7729 -0.0055 -0.0051 0.0106 -2.945 -2.716 5.661 -1.051 -0.969 2.02 -0.982 -0.906 1.888 10 H 1 0.8781 -0.4087 -0.2488 0.4417 0.8923 0.0933 0.1839 -0.1918 0.9641 -0.0028 0.0012 0.0016 -1.505 0.636 0.868 -0.537 0.227 0.31 -0.502 0.212 0.29 11 H 1 0.1371 0.0309 0.9901 0.5161 0.8509 -0.098 0.8455 -0.5244 -0.1007 -0.0014 -0.001 0.0024 -0.245 -0.164 0.409 -0.088 -0.058 0.146 -0.082 -0.055 0.136 12 B 11 0.1207 0.6214 0.7741 0.4385 0.6662 -0.6032 0.8906 -0.4123 0.1921 -8.0E-4 -7.0E-4 0.0015 -0.108 -0.091 0.199 -0.038 -0.032 0.071 -0.036 -0.03 0.066 13 C 13 0.3438 0.2881 0.8937 0.5799 0.6834 -0.4434 0.7385 -0.6708 -0.0679 -0.0016 -0.0011 0.0027 -0.064 -0.042 0.106 -0.023 -0.015 0.038 -0.021 -0.014 0.035 14 N 14 0.036 0.5727 0.819 0.6245 0.6269 -0.4658 0.7802 -0.5282 0.335 -8.0E-4 -7.0E-4 0.0016 -0.112 -0.098 0.21 -0.04 -0.035 0.075 -0.037 -0.033 0.07 15 C 13 0.101 0.9231 0.3711 -0.3194 -0.3231 0.8908 0.9422 -0.2085 0.2622 -8.0E-4 -7.0E-4 0.0015 -0.405 -0.369 0.774 -0.145 -0.132 0.276 -0.135 -0.123 0.258 16 H 1 0.2469 0.7558 0.6065 -0.3436 -0.5169 0.7841 0.9061 -0.402 0.132 -5.0E-4 -4.0E-4 9.0E-4 -0.252 -0.235 0.487 -0.09 -0.084 0.174 -0.084 -0.078 0.162 17 H 1 -0.3654 -0.6274 0.6876 0.7142 0.2848 0.6394 -0.597 0.7248 0.344 -0.0024 -0.0019 0.0043 -0.328 -0.254 0.583 -0.117 -0.091 0.208 -0.11 -0.085 0.194 18 C 13 0.2968 0.1287 0.9462 0.686 0.6606 -0.305 -0.6643 0.7396 0.1078 -7.0E-4 -6.0E-4 0.0013 -0.09 -0.082 0.172 -0.032 -0.029 0.061 -0.03 -0.027 0.057 19 C 13 0.1248 0.5338 0.8363 0.6974 0.5524 -0.4566 0.7057 -0.6402 0.3034 -0.0015 -0.0012 0.0027 -0.202 -0.157 0.36 -0.072 -0.056 0.128 -0.067 -0.053 0.12 20 C 13 0.0091 0.7639 0.6453 0.6577 0.4815 -0.5793 0.7532 -0.4297 0.4981 -8.0E-4 -7.0E-4 0.0015 -0.426 -0.395 0.821 -0.152 -0.141 0.293 -0.142 -0.132 0.274 21 H 1 0.1707 0.6138 0.7708 0.6562 0.5128 -0.5536 0.735 -0.6003 0.3152 -5.0E-4 -5.0E-4 0.001 -0.285 -0.266 0.55 -0.102 -0.095 0.196 -0.095 -0.089 0.184 22 H 1 0.0345 -0.5616 0.8267 0.8476 0.4547 0.2735 -0.5295 0.6913 0.4917 -0.0012 -0.001 0.0022 -0.155 -0.139 0.293 -0.055 -0.049 0.105 -0.052 -0.046 0.098 23 C 13 0.9224 0.3806 -0.0655 0.1314 -0.1496 0.98 -0.3632 0.9125 0.188 -0.0024 -0.002 0.0044 -1.284 -1.052 2.336 -0.458 -0.375 0.833 -0.428 -0.351 0.779 24 H 1 0.2122 -0.3541 0.9108 0.7674 0.6374 0.0691 -0.605 0.6843 0.407 -0.0058 -0.0049 0.0107 -3.109 -2.609 5.718 -1.109 -0.931 2.04 -1.037 -0.87 1.907 25 H 1 0.1753 -0.3102 0.9344 0.7893 0.6115 0.0549 -0.5884 0.7279 0.352 -6.0E-4 -6.0E-4 0.0012 -0.081 -0.074 0.155 -0.029 -0.027 0.055 -0.027 -0.025 0.052 26 C 13 0.2785 0.2246 0.9338 0.6243 0.6966 -0.3537 0.7299 -0.6814 -0.0538 -5.0E-4 -5.0E-4 9.0E-4 -0.265 -0.24 0.505 -0.094 -0.086 0.18 -0.088 -0.08 0.169 27 H 1 0.3792 0.2227 0.8981 0.7429 0.5054 -0.4389 -0.5517 0.8336 0.0263 -6.0E-4 -6.0E-4 0.0012 -0.327 -0.312 0.639 -0.117 -0.111 0.228 -0.109 -0.104 0.213 28 H 1 -0.0387 0.5079 0.8605 0.7105 0.6196 -0.3337 0.7027 -0.5985 0.3848 -0.0032 -0.0028 0.006 -1.701 -1.477 3.177 -0.607 -0.527 1.134 -0.567 -0.493 1.06 29 H 1 0.2076 0.4677 0.8592 0.8108 0.4092 -0.4186 -0.5473 0.7835 -0.2943 -0.0014 -0.0012 0.0026 -0.721 -0.643 1.364 -0.257 -0.229 0.487 -0.241 -0.214 0.455 30 H 1 0.1318 -0.6782 0.723 0.7903 0.5121 0.3363 -0.5983 0.527 0.6035 -0.0011 -0.001 0.0021 -0.599 -0.535 1.133 -0.214 -0.191 0.404 -0.2 -0.178 0.378 31 H 1 -0.0782 -0.6437 0.7612 0.9275 0.233 0.2923 -0.3655 0.7289 0.5789 -0.001 -9.0E-4 0.0019 -0.542 -0.489 1.031 -0.193 -0.175 0.368 -0.181 -0.163 0.344 32 H 1 0.0793 -0.4689 0.8797 0.7506 0.6088 0.2569 0.656 -0.6399 -0.4003 -5.0E-4 -4.0E-4 9.0E-4 -0.241 -0.223 0.464 -0.086 -0.08 0.166 -0.08 -0.074 0.155 33 H 1 0.0327 -0.3827 0.9233 0.873 0.4607 0.16 -0.4866 0.8008 0.3491 -4.0E-4 -4.0E-4 9.0E-4 -0.233 -0.226 0.459 -0.083 -0.081 0.164 -0.078 -0.075 0.153 34 H 1 0.4124 0.2502 0.8759 0.3082 0.8665 -0.3927 0.8573 -0.432 -0.2802 -8.0E-4 -7.0E-4 0.0015 -0.417 -0.359 0.776 -0.149 -0.128 0.277 -0.139 -0.12 0.259 35 H 1 PT61008.100S Tue Jul 1 09:24:21 2025 -14.52521 -10.35461 -10.34383 -10.34038 -10.33017 -10.32224 -10.32133 -10.31862 -10.31727 -10.31606 -10.31505 -10.31042 -10.30130 -10.26033 -6.89587 -6.85438 -4.91356 -4.90579 -4.90514 -1.94794 -1.94568 -1.94509 -1.93843 -1.93842 -1.08966 -0.96822 -0.92210 -0.85724 -0.85525 -0.84666 -0.84374 -0.77582 -0.73992 -0.71748 -0.70757 -0.69575 -0.69318 -0.67154 -0.63267 -0.61718 -0.60536 -0.57128 -0.56644 -0.55337 -0.54753 -0.53272 -0.52556 -0.52252 -0.50782 -0.49198 -0.48484 -0.48289 -0.46495 -0.45862 -0.45094 -0.44782 -0.44360 -0.43013 -0.42418 -0.41482 -0.40766 -0.37531 -0.34858 -0.34612 -0.33490 -0.33015 -0.28852 -0.28543 0.04372 0.05102 0.10409 0.12109 0.13128 0.13392 0.14339 0.16093 0.16717 0.17118 0.18328 0.18587 0.18825 0.19964 0.20233 0.20887 0.21365 0.21639 0.22042 0.22396 0.22965 0.23588 0.24147 0.24705 0.25055 0.26262 0.27750 0.28085 0.29629 0.31949 0.33144 0.33882 0.34313 0.34650 0.35479 0.37399 0.37510 0.39002 0.39991 0.42866 0.45283 0.45759 0.46731 0.47118 0.47488 0.48576 0.49045 0.50019 0.50587 0.51373 0.52413 0.53294 0.54230 0.54883 0.55297 0.55672 0.56327 0.57105 0.57583 0.58654 0.59536 0.61189 0.61649 0.62386 0.63271 0.63851 0.64387 0.65273 0.65700 0.67502 0.68447 0.68598 0.69236 0.69986 0.70682 0.71201 0.71412 0.71664 0.72853 0.73187 0.73797 0.74026 0.74609 0.74951 0.75487 0.75747 0.76352 0.76929 0.77200 0.77589 0.78308 0.78944 0.79624 0.79853 0.80887 0.80933 0.81329 0.82009 0.83100 0.83736 0.84033 0.85589 0.86645 0.87536 0.88372 0.89058 0.90562 0.92118 0.92569 0.93956 0.94439 0.98678 1.00413 1.01432 1.02587 1.06059 1.08846 1.09915 1.11027 1.12852 1.15001 1.16815 1.19694 1.20108 1.25217 1.27692 1.31211 1.31891 1.32587 1.33451 1.35357 1.36609 1.37515 1.37633 1.40506 1.42400 1.43001 1.44227 1.46380 1.48657 1.49839 1.50525 1.52087 1.53482 1.53939 1.57184 1.59981 1.61491 1.65846 1.69527 1.70156 1.73073 1.74051 1.77301 1.78135 1.79436 1.79747 1.80588 1.81485 1.82211 1.82923 1.83478 1.84328 1.84939 1.85072 1.85956 1.86352 1.87063 1.87582 1.88549 1.89003 1.89969 1.90278 1.90828 1.92154 1.92852 1.93124 1.93532 1.94770 1.96266 1.97219 1.98491 1.98807 2.00059 2.00409 2.02776 2.03162 2.04695 2.05841 2.06295 2.06735 2.07639 2.08539 2.09491 2.11177 2.11997 2.14532 2.15457 2.16341 2.18184 2.21400 2.23005 2.23356 2.24187 2.25317 2.27858 2.28440 2.29624 2.32981 2.33953 2.36144 2.37683 2.38108 2.38456 2.38988 2.39865 2.40246 2.41760 2.43829 2.44285 2.45393 2.49099 2.53855 2.54397 2.58616 2.60068 2.62519 2.65082 2.66695 2.69391 2.70653 2.72096 2.72171 2.72627 2.74849 2.75715 2.77993 2.79144 2.80008 2.80684 2.83158 2.84121 2.89618 2.90428 2.91652 2.92262 2.94737 2.96787 2.97750 3.01491 3.02502 3.04707 3.05587 3.08017 3.10186 3.10305 3.15733 3.18181 3.18897 3.19534 3.23562 3.26878 3.27035 3.67124 18.93822 19.02455 19.21657 56.79525 -14.52521 -10.35461 -10.34383 -10.34039 -10.32098 -10.32006 -10.31903 -10.31771 -10.31606 -10.31593 -10.31570 -10.31042 -10.30130 -10.26033 -6.89580 -6.85437 -4.91352 -4.90568 -4.90510 -1.94789 -1.94560 -1.94506 -1.93836 -1.93834 -1.08966 -0.96017 -0.92211 -0.85724 -0.85182 -0.84375 -0.83440 -0.77580 -0.73969 -0.71727 -0.70321 -0.69573 -0.68049 -0.67152 -0.63264 -0.60946 -0.60515 -0.57128 -0.56644 -0.54535 -0.54018 -0.53268 -0.52279 -0.52049 -0.50774 -0.49147 -0.48071 -0.47151 -0.46483 -0.45742 -0.45092 -0.44346 -0.44256 -0.43009 -0.42417 -0.41479 -0.40755 -0.37527 -0.34714 -0.33902 -0.33325 -0.28998 -0.28562 -0.01091 0.04286 0.06372 0.10424 0.12110 0.13138 0.13481 0.14370 0.16127 0.16761 0.17130 0.18402 0.18656 0.18840 0.20032 0.20290 0.20912 0.21388 0.21669 0.22363 0.22691 0.23071 0.23602 0.24160 0.24718 0.25199 0.26268 0.27756 0.28148 0.29649 0.31973 0.33169 0.33966 0.34533 0.34804 0.35592 0.37406 0.38004 0.40034 0.40240 0.42986 0.45456 0.45865 0.46775 0.47458 0.47836 0.48780 0.49434 0.50137 0.51026 0.51480 0.52585 0.53366 0.54339 0.54966 0.55425 0.56128 0.56441 0.57152 0.57732 0.58735 0.59771 0.61219 0.62322 0.63278 0.63441 0.64465 0.65012 0.65575 0.65860 0.67671 0.68609 0.68775 0.69285 0.69966 0.70820 0.71336 0.71548 0.71929 0.72938 0.73209 0.73846 0.74138 0.74692 0.75087 0.75548 0.75798 0.76464 0.77101 0.77282 0.77694 0.78353 0.78962 0.79707 0.79990 0.81000 0.81230 0.81922 0.82283 0.83468 0.83918 0.84134 0.85726 0.86860 0.87931 0.88428 0.89155 0.90628 0.92157 0.92674 0.94113 0.94950 0.99123 1.00622 1.01467 1.02704 1.06145 1.08873 1.09996 1.11109 1.12878 1.15120 1.17042 1.19746 1.20199 1.25383 1.27699 1.31304 1.32283 1.32635 1.33590 1.35441 1.36718 1.37647 1.37811 1.40528 1.42407 1.43021 1.44228 1.46388 1.48709 1.49864 1.50575 1.52272 1.53918 1.56515 1.57202 1.60013 1.61501 1.65855 1.69787 1.71227 1.73462 1.74174 1.77685 1.78388 1.79563 1.79800 1.80626 1.81817 1.82402 1.83158 1.83992 1.84970 1.85049 1.85337 1.86305 1.86689 1.87112 1.87837 1.88577 1.89302 1.90210 1.90558 1.91375 1.92215 1.93112 1.93431 1.93989 1.94860 1.96369 1.97255 1.98667 1.99439 2.00191 2.00837 2.02877 2.03302 2.04770 2.06013 2.06340 2.06778 2.07786 2.08727 2.09519 2.11494 2.12820 2.14706 2.15529 2.16353 2.18194 2.21432 2.23268 2.23966 2.24569 2.25501 2.28148 2.28643 2.29664 2.32989 2.34850 2.36212 2.37719 2.38854 2.39366 2.39539 2.40228 2.40762 2.41808 2.44037 2.44699 2.45417 2.49108 2.53861 2.54412 2.58621 2.60546 2.62532 2.65146 2.66853 2.69481 2.70957 2.72106 2.72691 2.73441 2.74863 2.75717 2.78002 2.79259 2.80064 2.80734 2.83162 2.84122 2.89642 2.91652 2.92541 2.92588 2.94758 2.97180 2.97862 3.01493 3.02505 3.04709 3.05589 3.08023 3.10275 3.11054 3.15735 3.18185 3.18903 3.20013 3.23563 3.26886 3.27900 3.67767 18.93828 19.02477 19.21662 56.79527 2-A. 1.03826950e+00 2.52309472e+00 -2.51684864e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.6390 6.4131 -0.6397 6.9643 -123.1371 -115.7688 -113.0752 -2.3715 3.5433 0.6841 -5.8100 1.5582 4.2518 -2.3715 3.5433 0.6841 -53.1797 -49.8967 12.5663 -15.2072 0.0092 17.0011 -3.8802 -23.3182 9.3773 -7.2203 -3648.5985 -1854.7864 -1155.7241 171.1751 53.8740 87.7444 -30.8869 -16.3880 -22.4765 -884.8510 -754.3078 -505.5197 -21.5494 1.7111 34.3026 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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)|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) 0 2-A -884.1876012 0.762075 0. 0.750076 5.065E-9 2.242E-6 -4.3161369,3.0005738,1.3155631,0.1564791,-3.0283291,-1.1947987 C01 [X(C13H20B1I1N1)] -0.8313236 -1.4855643 -2.146941 -0.000000610 0.000001210 0.000000278 -0.000000826 -0.000000249 0.000000097 0.000000170 -0.000001359 -0.000001447 -0.000000070 0.000000536 -0.000001542 0.000000928 -0.000000194 -0.000000996 -0.000002651 0.000000299 -0.000000020 -0.000001262 -0.000000908 -0.000001074 0.000000836 0.000000533 -0.000001641 0.000000497 0.000000740 -0.000000525 -0.000000255 -0.000000163 -0.000001808 0.000000161 0.000000211 -0.000001355 0.000005783 0.000004434 0.000001228 -0.000003784 -0.000001889 -0.000002071 -0.000009834 -0.000008653 -0.000001148 0.000003922 -0.000001738 0.000001400 0.000000892 -0.000000958 0.000002102 0.000000665 -0.000000331 0.000001565 0.000000933 0.000002313 -0.000006800 0.000001761 0.000001787 -0.000001249 0.000000366 0.000002791 -0.000000094 -0.000000270 0.000000295 0.000002233 0.000000169 0.000000795 0.000001075 -0.000000739 -0.000001185 0.000000170 -0.000000000 0.000000694 0.000000115 0.000007561 0.000002789 0.000003471 -0.000000069 -0.000000079 0.000001828 0.000000625 0.000000285 0.000000759 0.000001311 0.000000110 -0.000000030 -0.000000879 0.000000200 0.000000139 0.000001542 -0.000000114 -0.000000209 -0.000000772 0.000000586 0.000000021 -0.000000001 -0.000000262 -0.000000411 -0.000000131 -0.000001400 -0.000000841 -0.000000701 0.000000407 -0.000000259 -0.000000503 -0.000002280 0.000001328 -0.000004765 0.000000745 0.000005711 307.86126999999993 AuxInfo=1/0/N:23,26,15,13,18,19,20,12,36,14;8,4,6,2,3,1/E:(1,2)(5,6);(2,3)(4,5)/CRV:8.4,10.4;1.3,2.3,3.3,4.3,5.3,6.2/rA:36nC2C3C3C3HC3HC3HHHB4CN4CHHCCCHHCHHCHHHHHHHHHI/rB:s1;s1;s2;s2;s3;s3;s4s6;s4;s6;s8;;s12;s12;s13;s13;s13;s14;s14;s14s15;s15;s15;s18;s18;s18;s19s23;s19;s19;s20;s20;s23;s23;s26;s26;s12;s12;/rC:-1.9765,.8044,.3774;-2.0384,1.2174,-.9354;-2.3768,-.4259,.8502;-2.5613,.3029,-1.8606;-1.7001,2.2086,-1.2479;-2.8971,-1.324,-.0922;-2.2878,-.6998,1.9041;-2.9876,-.9583,-1.4375;-2.6383,.5819,-2.9148;-3.2329,-2.313,.2301;-3.3976,-1.6634,-2.1638;2.8587,-.099,-.5436;3.5467,1.0102,-1.5118;1.7472,-.7563,-1.5702;2.6179,1.1575,-2.7413;3.6761,1.9705,-.9949;4.5555,.6981,-1.8265;.5966,-1.4982,-.9931;2.4552,-1.8147,-2.3553;1.3367,.4022,-2.4034;2.383,2.2031,-2.9869;3.0771,.7239,-3.6443;1.2063,-2.8019,-.5033;-.1309,-1.6688,-1.8034;.1162,-.8956,-.2152;2.3403,-3.0915,-1.5109;3.4884,-1.5079,-2.5555;1.9309,-1.9208,-3.3188;.6692,1.0091,-1.7757;.7644,.0491,-3.2768;1.6116,-2.6608,.5083;.4553,-3.6016,-.4563;3.2836,-3.3059,-.993;2.1152,-3.9521,-2.156;3.5442,-.9864,-.0812;1.7865,.8714,1.2385; Gaussian 16 GINC-NODO01 CECILIA coments ES64L-G16RevC.02 102 C1[X(C13H20BIN)] UwB97XD def2SVP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk UwB97XD/def2SVPFreq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.86126999999993 AuxInfo=1/0/N:23,26,15,13,18,19,20,12,36,14;8,4,6,2,3,1/E:(1,2)(5,6);(2,3)(4,5)/CRV:8.4,10.4;1.3,2.3,3.3,4.3,5.3,6.2/rA:36nC2C3C3C3HC3HC3HHHB4CN4CHHCCCHHCHHCHHHHHHHHHI/rB:s1;s1;s2;s2;s3;s3;s4s6;s4;s6;s8;;s12;s12;s13;s13;s13;s14;s14;s14s15;s15;s15;s18;s18;s18;s19s23;s19;s19;s20;s20;s23;s23;s26;s26;s12;s12;/rC:-1.9765,.8044,.3774;-2.0384,1.2174,-.9354;-2.3768,-.4259,.8502;-2.5613,.3029,-1.8606;-1.7001,2.2086,-1.2479;-2.8971,-1.324,-.0922;-2.2878,-.6998,1.9041;-2.9876,-.9583,-1.4375;-2.6383,.5819,-2.9148;-3.2329,-2.313,.2301;-3.3976,-1.6634,-2.1638;2.8587,-.0989,-.5436;3.5467,1.0102,-1.5118;1.7472,-.7563,-1.5702;2.6179,1.1575,-2.7413;3.6761,1.9705,-.9949;4.5555,.6981,-1.8265;.5966,-1.4982,-.9931;2.4552,-1.8147,-2.3553;1.3367,.4022,-2.4034;2.383,2.2031,-2.9869;3.0771,.7239,-3.6443;1.2063,-2.8019,-.5033;-.1309,-1.6688,-1.8034;.1162,-.8956,-.2152;2.3403,-3.0915,-1.5109;3.4884,-1.5079,-2.5555;1.9309,-1.9208,-3.3188;.6692,1.0091,-1.7757;.7644,.0491,-3.2768;1.6116,-2.6608,.5083;.4553,-3.6016,-.4563;3.2836,-3.3059,-.993;2.1152,-3.9521,-2.156;3.5442,-.9864,-.0812;1.7865,.8714,1.2385; 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 12 12 12 12 1 12 1 12 1 1 1 11 12 14 12 1 1 12 12 12 1 1 12 1 1 12 1 1 1 1 1 1 1 1 1 127 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 11.0093053 12.0000000 14.0030740 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 126.9004000 0 0 0 0 1 0 1 0 1 1 1 3 0 2 0 1 1 0 0 0 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 5 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 2.7500000 3.6000000 4.5500000 3.6000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 5830.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "9N_PhI_add1.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 1 1 1 2 2 3 3 4 4 6 6 8 12 12 12 13 13 13 14 14 14 15 15 15 18 18 18 19 19 19 20 20 23 23 23 25 26 26 2 3 36 4 5 6 7 8 9 8 10 11 13 14 35 15 16 17 18 19 20 20 21 22 23 24 25 26 27 28 29 30 26 31 32 36 33 34 1.3776 1.3775 3.8608 1.4021 1.093 1.4019 1.0926 1.3968 1.0933 1.3971 1.0931 1.0922 1.6251 1.6497 1.2129 1.5479 1.0983 1.1018 1.4858 1.496 1.4849 1.5252 1.0994 1.1019 1.5202 1.1023 1.095 1.535 1.0963 1.102 1.099 1.1023 1.5444 1.0989 1.098 2.833 1.0973 1.0989 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 3 1 1 4 1 1 6 2 2 8 3 3 8 4 4 6 13 13 14 12 12 12 15 15 16 12 12 12 18 18 19 13 13 13 20 20 21 14 14 14 23 23 24 14 14 14 26 26 27 14 14 14 15 15 29 18 18 18 26 26 31 18 19 19 19 23 23 33 1 1 1 1 2 2 2 3 3 3 4 4 4 6 6 6 8 8 8 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 23 23 23 23 23 23 25 26 26 26 26 26 26 36 3 36 36 4 5 5 6 7 7 8 9 9 8 10 10 6 11 11 14 35 35 15 16 17 16 17 17 18 19 20 19 20 20 20 21 22 21 22 22 23 24 25 24 25 25 26 27 28 27 28 28 15 29 30 29 30 30 26 31 32 31 32 32 36 23 33 34 33 34 34 25 125.5746 104.5446 102.8394 116.7465 122.0378 121.2155 116.7018 122.0937 121.2019 120.1898 119.7412 120.0685 120.2389 119.7046 120.0565 120.5474 119.7372 119.7152 100.7444 119.1595 109.0511 106.509 111.4814 111.3706 111.1821 110.4555 105.9189 118.6261 106.8378 102.9786 102.5344 113.1685 112.8518 106.3155 113.3353 111.3061 109.9383 109.6817 106.2738 104.0497 107.6279 109.9283 111.6462 114.7729 108.534 105.3295 110.1105 107.5647 113.8138 111.4273 108.4026 106.1679 106.1561 109.7709 111.3022 114.7795 108.3104 104.1875 109.5386 111.3502 110.7204 113.1782 107.8372 116.6884 104.9434 110.9697 110.1113 111.0952 112.2975 107.4675 45.5787 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 3 3 36 36 2 2 36 36 2 3 1 1 5 5 1 1 7 7 2 2 9 9 3 3 10 10 14 14 14 35 35 35 13 13 13 35 35 35 12 12 12 16 16 16 17 17 17 12 12 12 19 19 19 20 20 20 12 12 12 18 18 18 20 20 20 12 12 12 18 18 18 19 19 19 13 13 13 21 21 21 22 22 22 14 14 14 24 24 24 25 25 25 14 23 24 14 14 14 27 27 27 28 28 28 18 18 18 31 31 31 32 32 32 18 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 6 6 6 6 12 12 12 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 23 23 23 23 23 23 23 23 23 25 2 2 2 2 3 3 3 3 36 36 4 4 4 4 6 6 6 6 8 8 8 8 8 8 8 8 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 25 25 25 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 36 4 5 4 5 6 7 6 7 25 25 8 9 8 9 8 10 8 10 6 11 6 11 4 11 4 11 15 16 17 15 16 17 18 19 20 18 19 20 20 21 22 20 21 22 20 21 22 23 24 25 23 24 25 23 24 25 26 27 28 26 27 28 26 27 28 15 29 30 15 29 30 15 29 30 14 29 30 14 29 30 14 29 30 26 31 32 26 31 32 26 31 32 36 36 36 23 33 34 23 33 34 23 33 34 19 33 34 19 33 34 19 33 34 1 0.3483 -179.7673 118.2418 -61.8737 -0.3823 179.0449 -119.048 60.3791 -77.2373 55.2611 -0.1039 179.6501 -179.9893 -0.2354 0.1723 -179.795 -179.2603 0.7723 -0.0762 179.7445 -179.8293 -0.0086 0.0406 -179.7801 -179.9922 0.1871 14.0885 135.5309 -106.402 133.188 -105.3697 12.6974 -160.0782 84.8658 -34.2208 73.7505 -41.3056 -160.3921 10.2585 131.1387 -109.1368 -111.3744 9.5059 129.2304 131.336 -107.7838 11.9407 -73.2552 168.1572 50.1245 44.0935 -74.4941 167.4732 165.9553 47.3677 -70.665 87.6988 -35.4089 -153.3481 -37.7556 -160.8634 81.1975 -159.8329 77.0593 -40.8798 42.686 -75.855 167.2921 171.9882 53.4473 -63.4056 -72.1298 169.3292 52.4764 -34.0137 81.0741 -155.4627 -157.0541 -41.9663 81.4968 86.4365 -158.4758 -35.0126 -33.0928 85.3938 -155.4169 82.7034 -158.81 -39.6207 -153.2552 -34.7686 84.4207 -30.7484 86.1053 -148.2188 17.0714 -103.0098 138.1306 137.7802 17.6991 -101.1606 -99.2706 140.6483 21.7886 9.5723 129.57 -110.0373 -108.1023 11.8954 132.2881 130.6855 -109.3168 11.0759 154.0879 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00063 0.00078 0.00107 0.00127 0.00361 0.00640 0.00798 0.00884 0.01181 0.01451 0.01679 0.01741 0.01831 0.01929 0.01958 0.02326 0.02352 0.02429 0.02706 0.02908 0.03085 0.03468 0.03805 0.03844 0.03863 0.03913 0.03996 0.04043 0.04181 0.04245 0.04310 0.04583 0.04865 0.05098 0.05238 0.05585 0.05656 0.05876 0.06230 0.06313 0.06376 0.06509 0.06853 0.06993 0.07952 0.08345 0.09010 0.09359 0.09829 0.10002 0.10304 0.10575 0.10742 0.11212 0.11882 0.12076 0.12113 0.14341 0.16085 0.18297 0.18513 0.19435 0.19831 0.21817 0.22775 0.23345 0.24499 0.24797 0.25290 0.26734 0.28359 0.28469 0.29490 0.30220 0.30685 0.32705 0.33529 0.33650 0.33805 0.33908 0.34096 0.34400 0.34429 0.34592 0.34689 0.34770 0.34857 0.35004 0.35402 0.36085 0.36157 0.36282 0.36325 0.36409 0.36549 0.40588 0.42320 0.42621 0.47945 0.49784 0.52870 3.23638 Angle between quadratic step and forces= 83.64 degrees. 1 2 0.00031528 0.00000009 0.00000004 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 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 2.60320 2.60315 7.29593 2.64953 2.06539 2.64915 2.06462 2.63963 2.06597 2.64012 2.06557 2.06395 3.07105 3.11748 2.29211 2.92517 2.07540 2.08218 2.80768 2.82700 2.80602 2.88222 2.07753 2.08229 2.87277 2.08297 2.06918 2.90069 2.07174 2.08243 2.07677 2.08300 2.91855 2.07662 2.07496 5.35355 2.07351 2.07655 2.19169 1.82465 1.79489 2.03761 2.12996 2.11561 2.03683 2.13094 2.11537 2.09771 2.08988 2.09559 2.09856 2.08924 2.09538 2.10395 2.08981 2.08942 1.75832 2.07973 1.90330 1.85893 1.94572 1.94378 1.94049 1.92781 1.84863 2.07042 1.86467 1.79732 1.78956 1.97516 1.96963 1.85555 1.97807 1.94266 1.91878 1.91431 1.85483 1.81601 1.87846 1.91861 1.94859 2.00317 1.89428 1.83835 1.92179 1.87736 1.98643 1.94477 1.89198 1.85298 1.85277 1.91586 1.94259 2.00328 1.89037 1.81841 1.91181 1.94343 1.93244 1.97533 1.88211 2.03660 1.83161 1.93679 1.92180 1.93898 1.95996 1.87566 0.79550 0.00608 -3.13753 2.06371 -1.07990 -0.00667 3.12492 -2.07778 1.05381 -1.34805 0.96449 -0.00181 3.13549 -3.14141 -0.00411 0.00301 -3.13802 -3.12868 0.01348 -0.00133 3.13713 -3.13861 -0.00015 0.00071 -3.13776 -3.14146 0.00327 0.24589 2.36546 -1.85707 2.32457 -1.83905 0.22161 -2.79389 1.48119 -0.59727 1.28719 -0.72092 -2.79937 0.17904 2.28880 -1.90480 -1.94385 0.16591 2.25550 2.29224 -1.88118 0.20841 -1.27854 2.93490 0.87484 0.76958 -1.30017 2.92296 2.89647 0.82672 -1.23334 1.53063 -0.61800 -2.67643 -0.65896 -2.80760 1.41716 -2.78961 1.34494 -0.71349 0.74501 -1.32392 2.91980 3.00176 0.93283 -1.10664 -1.25890 2.95535 0.91589 -0.59365 1.41501 -2.71334 -2.74111 -0.73245 1.42239 1.50860 -2.76592 -0.61109 -0.57758 1.49040 -2.71254 1.44345 -2.77176 -0.69151 -2.67481 -0.60683 1.47342 -0.53666 1.50282 -2.58691 0.29795 -1.79786 2.41083 2.40472 0.30891 -1.76559 -1.73260 2.45478 0.38028 0.16707 2.26142 -1.92051 -1.88674 0.20761 2.30886 2.28089 -1.90794 0.19331 2.68934 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 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 0.00004 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00075 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00004 0.00002 0.00001 0.00000 -0.00000 0.00001 -0.00003 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 -0.00001 0.00000 -0.00000 -0.00041 0.00000 0.00000 -0.00000 -0.00027 0.00033 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 -0.00003 0.00004 0.00000 0.00001 0.00002 -0.00003 0.00004 -0.00001 -0.00002 -0.00007 0.00001 -0.00001 0.00005 0.00002 -0.00001 0.00003 -0.00002 0.00001 -0.00003 0.00001 0.00001 -0.00001 0.00004 -0.00007 0.00004 -0.00005 0.00004 0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00002 0.00000 -0.00001 0.00001 -0.00002 -0.00000 0.00000 -0.00002 0.00002 -0.00000 0.00000 0.00000 0.00024 0.00001 0.00002 -0.00001 0.00002 -0.00003 -0.00001 -0.00012 0.00001 0.00003 0.00022 0.00024 -0.00001 0.00001 0.00006 0.00008 -0.00029 -0.00025 -0.00001 -0.00000 -0.00003 -0.00002 0.00001 -0.00000 -0.00002 -0.00003 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00029 0.00035 0.00032 0.00029 0.00035 0.00032 -0.00013 -0.00017 -0.00016 -0.00016 -0.00019 -0.00019 -0.00033 -0.00036 -0.00037 -0.00038 -0.00041 -0.00041 -0.00037 -0.00041 -0.00041 -0.00007 -0.00013 -0.00017 -0.00006 -0.00011 -0.00015 -0.00002 -0.00008 -0.00012 0.00010 0.00010 0.00011 0.00015 0.00014 0.00015 0.00009 0.00009 0.00010 -0.00005 -0.00007 -0.00006 -0.00012 -0.00015 -0.00014 -0.00005 -0.00007 -0.00007 0.00024 0.00026 0.00025 0.00026 0.00028 0.00028 0.00027 0.00029 0.00028 -0.00005 -0.00006 -0.00006 0.00001 0.00000 -0.00000 0.00006 0.00005 0.00005 0.00024 0.00016 0.00020 -0.00019 -0.00023 -0.00022 -0.00019 -0.00023 -0.00023 -0.00020 -0.00025 -0.00024 0.00014 0.00019 0.00017 0.00017 0.00021 0.00019 0.00017 0.00021 0.00019 -0.00008 0.00000 0.00000 0.00075 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00004 0.00002 0.00001 0.00000 -0.00000 0.00001 -0.00003 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 -0.00001 0.00000 -0.00000 -0.00041 0.00000 0.00000 -0.00000 -0.00027 0.00033 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 -0.00003 0.00004 0.00000 0.00001 0.00002 -0.00003 0.00004 -0.00001 -0.00002 -0.00007 0.00001 -0.00001 0.00005 0.00002 -0.00001 0.00003 -0.00002 0.00001 -0.00003 0.00001 0.00001 -0.00001 0.00004 -0.00007 0.00004 -0.00005 0.00004 0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00002 0.00000 -0.00001 0.00001 -0.00002 -0.00000 0.00000 -0.00002 0.00002 -0.00000 0.00000 0.00000 0.00024 0.00001 0.00002 -0.00001 0.00002 -0.00003 -0.00001 -0.00012 0.00001 0.00003 0.00022 0.00024 -0.00001 0.00001 0.00006 0.00008 -0.00029 -0.00025 -0.00001 -0.00000 -0.00003 -0.00002 0.00001 -0.00000 -0.00002 -0.00003 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00029 0.00035 0.00032 0.00029 0.00035 0.00032 -0.00013 -0.00017 -0.00016 -0.00016 -0.00019 -0.00019 -0.00033 -0.00036 -0.00037 -0.00038 -0.00041 -0.00041 -0.00037 -0.00041 -0.00041 -0.00007 -0.00013 -0.00017 -0.00006 -0.00011 -0.00015 -0.00002 -0.00008 -0.00012 0.00010 0.00010 0.00011 0.00015 0.00014 0.00015 0.00009 0.00009 0.00010 -0.00005 -0.00007 -0.00006 -0.00012 -0.00015 -0.00014 -0.00005 -0.00007 -0.00007 0.00024 0.00026 0.00025 0.00026 0.00028 0.00028 0.00027 0.00029 0.00028 -0.00005 -0.00006 -0.00006 0.00001 0.00000 -0.00000 0.00006 0.00005 0.00005 0.00024 0.00016 0.00020 -0.00019 -0.00023 -0.00022 -0.00019 -0.00023 -0.00023 -0.00020 -0.00025 -0.00024 0.00014 0.00019 0.00017 0.00017 0.00021 0.00019 0.00017 0.00021 0.00019 -0.00008 2.60320 2.60315 7.29667 2.64953 2.06539 2.64915 2.06462 2.63963 2.06597 2.64012 2.06557 2.06395 3.07101 3.11751 2.29212 2.92517 2.07540 2.08218 2.80764 2.82700 2.80603 2.88224 2.07753 2.08229 2.87277 2.08296 2.06918 2.90070 2.07174 2.08243 2.07677 2.08300 2.91854 2.07662 2.07496 5.35314 2.07351 2.07655 2.19169 1.82437 1.79522 2.03761 2.12997 2.11561 2.03683 2.13094 2.11536 2.09771 2.08988 2.09559 2.09856 2.08924 2.09538 2.10395 2.08981 2.08942 1.75830 2.07976 1.90330 1.85894 1.94573 1.94375 1.94053 1.92780 1.84862 2.07035 1.86468 1.79731 1.78961 1.97518 1.96963 1.85559 1.97805 1.94266 1.91875 1.91432 1.85484 1.81600 1.87850 1.91854 1.94863 2.00312 1.89432 1.83836 1.92178 1.87736 1.98643 1.94477 1.89197 1.85300 1.85278 1.91585 1.94260 2.00326 1.89037 1.81842 1.91179 1.94344 1.93243 1.97533 1.88211 2.03684 1.83162 1.93681 1.92179 1.93900 1.95993 1.87565 0.79538 0.00609 -3.13750 2.06393 -1.07966 -0.00668 3.12493 -2.07772 1.05389 -1.34833 0.96423 -0.00182 3.13548 -3.14143 -0.00413 0.00302 -3.13802 -3.12870 0.01345 -0.00133 3.13713 -3.13861 -0.00015 0.00070 -3.13776 -3.14145 0.00327 0.24618 2.36581 -1.85674 2.32486 -1.83869 0.22193 -2.79402 1.48102 -0.59742 1.28703 -0.72111 -2.79956 0.17871 2.28844 -1.90516 -1.94423 0.16550 2.25508 2.29187 -1.88159 0.20800 -1.27861 2.93477 0.87467 0.76952 -1.30028 2.92280 2.89645 0.82664 -1.23346 1.53073 -0.61791 -2.67632 -0.65881 -2.80746 1.41731 -2.78952 1.34503 -0.71339 0.74497 -1.32399 2.91974 3.00164 0.93268 -1.10678 -1.25895 2.95528 0.91582 -0.59341 1.41527 -2.71309 -2.74085 -0.73217 1.42267 1.50887 -2.76563 -0.61080 -0.57763 1.49034 -2.71260 1.44346 -2.77176 -0.69151 -2.67474 -0.60677 1.47347 -0.53642 1.50298 -2.58670 0.29776 -1.79809 2.41061 2.40453 0.30867 -1.76581 -1.73280 2.45453 0.38005 0.16721 2.26161 -1.92034 -1.88657 0.20782 2.30906 2.28106 -1.90773 0.19350 2.68926 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000038 0.000003 0.001434 0.000315 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -5.426215e-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 1 1 1 2 2 3 3 4 4 6 6 8 12 12 12 13 13 13 14 14 14 15 15 15 18 18 18 19 19 19 20 20 23 23 23 25 26 26 2 3 36 4 5 6 7 8 9 8 10 11 13 14 35 15 16 17 18 19 20 20 21 22 23 24 25 26 27 28 29 30 26 31 32 36 33 34 1.3776 1.3775 3.8608 1.4021 1.093 1.4019 1.0926 1.3968 1.0933 1.3971 1.0931 1.0922 1.6251 1.6497 1.2129 1.5479 1.0983 1.1018 1.4858 1.496 1.4849 1.5252 1.0994 1.1019 1.5202 1.1023 1.095 1.535 1.0963 1.102 1.099 1.1023 1.5444 1.0989 1.098 2.833 1.0973 1.0989 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 3 1 1 4 1 1 6 2 2 8 3 3 8 4 4 6 13 13 14 12 12 12 15 15 16 12 12 12 18 18 19 13 13 13 20 20 21 14 14 14 23 23 24 14 14 14 26 26 27 14 14 14 15 15 29 18 18 18 26 26 31 18 19 19 19 23 23 33 1 1 1 1 2 2 2 3 3 3 4 4 4 6 6 6 8 8 8 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 23 23 23 23 23 23 25 26 26 26 26 26 26 36 3 36 36 4 5 5 6 7 7 8 9 9 8 10 10 6 11 11 14 35 35 15 16 17 16 17 17 18 19 20 19 20 20 20 21 22 21 22 22 23 24 25 24 25 25 26 27 28 27 28 28 15 29 30 29 30 30 26 31 32 31 32 32 36 23 33 34 33 34 34 25 125.5746 104.5446 102.8394 116.7465 122.0378 121.2155 116.7018 122.0937 121.2019 120.1898 119.7412 120.0685 120.2389 119.7046 120.0565 120.5474 119.7372 119.7152 100.7444 119.1595 109.0511 106.509 111.4814 111.3706 111.1821 110.4555 105.9189 118.6261 106.8378 102.9786 102.5344 113.1685 112.8518 106.3155 113.3353 111.3061 109.9383 109.6817 106.2738 104.0497 107.6279 109.9283 111.6462 114.7729 108.534 105.3295 110.1105 107.5647 113.8138 111.4273 108.4026 106.1679 106.1561 109.7709 111.3022 114.7795 108.3104 104.1875 109.5386 111.3502 110.7204 113.1782 107.8372 116.6884 104.9434 110.9697 110.1113 111.0952 112.2975 107.4675 45.5787 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 3 3 36 36 2 2 36 36 2 3 1 1 5 5 1 1 7 7 2 2 9 9 3 3 10 10 14 14 14 35 35 35 13 13 13 35 35 35 12 12 12 16 16 16 17 17 17 12 12 12 19 19 19 20 20 20 12 12 12 18 18 18 20 20 20 12 12 12 18 18 18 19 19 19 13 13 13 21 21 21 22 22 22 14 14 14 24 24 24 25 25 25 14 23 24 14 14 14 27 27 27 28 28 28 18 18 18 31 31 31 32 32 32 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 6 6 6 6 12 12 12 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 23 23 23 23 23 23 23 23 23 2 2 2 2 3 3 3 3 36 36 4 4 4 4 6 6 6 6 8 8 8 8 8 8 8 8 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 25 25 25 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 4 5 4 5 6 7 6 7 25 25 8 9 8 9 8 10 8 10 6 11 6 11 4 11 4 11 15 16 17 15 16 17 18 19 20 18 19 20 20 21 22 20 21 22 20 21 22 23 24 25 23 24 25 23 24 25 26 27 28 26 27 28 26 27 28 15 29 30 15 29 30 15 29 30 14 29 30 14 29 30 14 29 30 26 31 32 26 31 32 26 31 32 36 36 36 23 33 34 23 33 34 23 33 34 19 33 34 19 33 34 19 33 34 0.3483 -179.7673 118.2418 -61.8737 -0.3823 179.0449 -119.048 60.3791 -77.2373 55.2611 -0.1039 179.6501 -179.9893 -0.2354 0.1723 -179.795 -179.2603 0.7723 -0.0762 179.7445 -179.8293 -0.0086 0.0406 -179.7801 -179.9922 0.1871 14.0885 135.5309 -106.402 133.188 -105.3697 12.6974 -160.0782 84.8658 -34.2208 73.7505 -41.3056 -160.3921 10.2585 131.1387 -109.1368 -111.3744 9.5059 129.2304 131.336 -107.7838 11.9407 -73.2552 168.1572 50.1245 44.0935 -74.4941 167.4732 165.9553 47.3677 -70.665 87.6988 -35.4089 -153.3481 -37.7556 -160.8634 81.1975 -159.8329 77.0593 -40.8798 42.686 -75.855 167.2921 171.9882 53.4473 -63.4056 -72.1298 169.3292 52.4764 -34.0137 81.0741 -155.4627 -157.0541 -41.9663 81.4968 86.4365 -158.4758 -35.0126 -33.0928 85.3938 -155.4169 82.7034 -158.81 -39.6207 -153.2552 -34.7686 84.4207 -30.7484 86.1053 -148.2188 17.0714 -103.0098 138.1306 137.7802 17.6991 -101.1606 -99.2706 140.6483 21.7886 9.5723 129.57 -110.0373 -108.1023 11.8954 132.2881 130.6855 -109.3168 11.0759 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 353 A 336 A 336 582 353 68 67 1328.0698087752 36 36 36 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 -0.0355981904 0.000000 1.377553 0.000000 1.377527 2.450134 0.000000 2.366836 1.402072 2.813031 0.000000 2.165549 1.092959 3.435188 2.179158 0.000000 2.366073 2.811970 1.401870 2.426250 3.904843 0.000000 2.165756 3.435160 1.092551 3.905455 4.328884 2.178493 0.000000 2.724546 2.426236 2.426883 1.396830 3.423801 1.397089 3.423815 0.000000 3.365391 2.163758 3.906278 1.093262 2.510901 3.415674 4.998716 2.162550 0.000000 3.364364 3.905010 2.163011 3.415355 4.997893 1.093052 2.509587 2.162480 4.315611 0.000000 3.816735 3.414023 3.414307 2.158125 4.325794 2.158123 4.325274 1.092197 2.486348 2.485942 0.000000 5.004349 5.086059 5.427762 5.592258 5.157916 5.902074 5.730550 5.976356 6.025260 6.527540 6.649446 0.000000 5.840972 5.618577 6.536803 6.158769 5.388419 6.999070 6.973837 6.824752 6.356583 7.748630 7.469764 1.625129 0.000000 4.482683 4.316127 4.793195 4.446325 4.558330 4.906779 5.324939 4.740927 4.778229 5.519568 5.257828 1.649701 2.522336 0.000000 5.564083 4.994576 6.352418 5.322659 4.688303 6.602371 7.006813 6.131688 5.290450 7.423312 6.669154 2.542999 1.547935 2.406737 0.000000 5.932456 5.764164 6.766436 6.514283 5.387410 7.407807 7.148611 7.292307 6.744296 8.220899 8.037982 2.270329 1.098253 3.389245 2.197911 0.000000 6.894546 6.674034 7.515642 7.127887 6.461345 7.914425 7.918475 7.732560 7.276568 8.599725 8.303177 2.271587 1.101841 3.172920 2.191412 1.756136 0.000000 3.714966 3.784300 3.659032 3.737511 4.368102 3.612179 4.165428 3.651717 4.299351 4.101798 4.165534 2.697694 3.907022 1.485758 3.767647 4.638501 4.603428 0.000000 5.828112 5.603734 5.962546 5.467583 5.888952 5.831768 6.471583 5.585618 5.656880 6.267887 5.857898 2.527689 3.143768 1.495983 3.001627 4.203516 3.317431 2.325982 0.000000 4.344083 3.769663 5.006115 3.936881 3.717537 5.123117 5.736318 4.634945 4.011754 5.931974 5.170853 2.454934 2.459439 1.484884 1.525205 3.149009 3.283468 2.479584 2.483580 0.000000 5.681514 4.972827 6.655128 5.415369 4.438029 6.978510 7.359693 6.421674 5.277021 7.891930 7.003070 3.390489 2.225518 3.342037 1.099383 2.386249 2.886360 4.567979 4.067780 2.162981 0.000000 6.458997 5.809452 7.160125 5.928840 5.546944 7.245881 7.848159 6.669319 5.763518 8.003102 7.057857 3.215447 2.202228 2.874296 1.101903 2.988650 2.343197 4.256742 2.914270 2.161596 1.761187 0.000000 4.889860 5.183505 4.507276 5.067189 5.840042 4.380732 4.735279 4.675431 5.660907 4.525803 5.024885 3.168291 4.585488 2.369627 4.762148 5.396037 5.021735 1.520203 2.442141 3.727361 5.709838 5.079050 0.000000 3.778735 3.566792 3.691951 3.130143 4.219600 3.270976 4.397379 2.966351 3.547932 3.764644 3.286571 3.604117 4.559269 2.101034 4.052586 5.328355 5.250231 1.102259 2.648317 2.608190 4.765672 4.405109 2.182247 0.000000 2.760552 3.102519 2.751520 3.363440 3.741875 3.046093 3.210790 3.336333 4.130133 3.663839 4.090661 2.874735 4.133021 2.124951 4.105486 4.636315 4.984321 1.094961 3.300820 2.821667 4.735245 4.811255 2.214709 1.783592 0.000000 6.113781 6.170122 5.910279 5.972449 6.669691 5.706802 6.229135 5.739532 6.344383 5.890482 5.948954 3.187420 4.275396 2.410037 4.432227 5.260617 4.400818 2.418093 1.534980 3.742914 5.496564 4.432942 1.544431 2.866446 3.383373 0.000000 6.619196 6.371623 6.868085 6.353094 6.514831 6.846695 7.342081 6.594743 6.483308 7.320112 6.898977 2.535642 2.726430 2.137218 2.810108 3.817065 2.556630 3.286974 1.096319 2.881270 3.896042 2.517040 3.330801 3.700156 4.150150 2.217434 0.000000 6.029537 5.593158 6.178246 5.220250 5.875705 5.837510 6.823942 5.353180 5.225314 6.277938 5.458323 3.446971 3.803489 2.108865 3.206428 4.856765 3.996731 2.714342 1.101975 2.566554 4.161790 2.900707 3.037784 2.571109 3.738418 2.192351 1.782989 0.000000 3.417175 2.842623 4.269957 3.307935 2.707602 4.582152 5.020444 4.166144 3.524151 5.503251 4.881795 2.745875 2.889578 2.078648 2.179876 3.251963 3.899030 2.627607 3.391079 1.098978 2.414509 3.061193 4.053451 2.794963 2.523620 4.435869 3.858909 3.543548 0.000000 4.629899 3.834426 5.208169 3.623673 3.854031 5.043254 6.059597 4.298302 3.463160 5.818643 4.636200 3.446539 3.432188 2.127718 2.224979 4.168517 4.110553 2.763684 2.679874 1.102275 2.709851 2.436969 4.001956 2.433862 3.268942 3.932561 3.219440 2.289723 1.784349 0.000000 4.989921 5.517875 4.584676 5.639901 6.145145 4.740913 4.582510 5.276092 6.347801 4.864944 5.764365 3.037234 4.615380 2.822320 5.113913 5.288717 5.039815 2.153137 3.102842 4.235009 6.038920 5.554069 1.098899 3.060165 2.423962 2.189473 3.773403 3.911003 4.424082 4.731643 0.000000 5.101105 5.447051 4.451119 5.130010 6.247437 4.069229 4.638555 4.450081 5.754690 3.966637 4.638725 4.248810 5.651496 3.317427 5.705007 6.458440 6.097214 2.175334 3.286116 4.538520 6.619209 5.978879 1.098021 2.427799 2.737722 2.219422 4.241491 3.632677 4.800467 4.623710 1.775509 0.000000 6.814736 6.984726 6.612989 6.923795 7.437168 6.552888 6.798919 6.710888 7.340086 6.704184 6.979077 3.266007 4.355101 3.032144 4.839581 5.290961 4.283006 3.238449 2.183033 4.419207 5.927473 4.828141 2.192963 3.872411 4.055428 1.097253 2.390845 3.026134 5.105498 4.776809 2.337840 2.893897 0.000000 6.766408 6.742827 6.453625 6.329474 7.303099 6.024086 6.815302 5.959649 6.612779 6.081277 5.969076 4.242586 5.204677 3.269830 5.167535 6.233930 5.261925 3.111271 2.173385 4.430265 6.216762 5.000527 2.209204 3.222234 4.135764 1.098860 2.831890 2.347832 5.181565 4.369284 3.003257 2.401511 1.770676 0.000000 5.821957 6.062289 6.019977 6.488906 6.250767 6.450156 6.167340 6.671131 6.979391 6.912719 7.279050 1.212933 2.456243 2.344996 3.539857 3.097686 2.627975 3.127603 2.653954 3.491950 4.468111 3.979772 2.989959 4.115568 3.431816 2.815040 2.529229 3.735945 3.888264 4.360168 2.624094 4.064564 2.505796 3.891249 0.000000 3.860837 4.413052 4.378054 5.369461 4.486291 5.341064 4.417254 5.770650 6.075554 6.029284 6.698986 2.294979 3.268272 3.246441 4.075747 3.125091 4.134146 3.465712 4.536271 3.699377 4.470200 5.052562 4.106528 4.402543 2.832978 4.854929 4.790805 5.346532 3.217505 4.701960 3.611140 4.965058 4.966935 5.907353 2.877960 0.000000 C13H20BIN(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 0 307.86126999999993 AuxInfo=1/0/N:23,26,15,13,18,19,20,12,36,14;8,4,6,2,3,1/E:(1,2)(5,6);(2,3)(4,5)/CRV:8.4,10.4;1.3,2.3,3.3,4.3,5.3,6.2/rA:36nC2C3C3C3HC3HC3HHHB4CN4CHHCCCHHCHHCHHHHHHHHHI/rB:s1;s1;s2;s2;s3;s3;s4s6;s4;s6;s8;;s12;s12;s13;s13;s13;s14;s14;s14s15;s15;s15;s18;s18;s18;s19s23;s19;s19;s20;s20;s23;s23;s26;s26;s12;s12;/rC:2.6674,-1.4307,-.4174;2.7103,-.6684,-1.5641;3.1933,-1.0712,.804;3.3522,.5747,-1.4717;2.2696,-1.0099,-2.5041;3.831,.1753,.873;3.1133,-1.7155,1.6827;3.9083,.9897,-.2595;3.4197,1.217,-2.3538;4.2689,.5081,1.8176;4.4103,1.9577,-.197;-2.0151,.267,.0678;-2.8027,.394,-1.3481;-.8153,1.3787,-.1468;-1.8704,1.1809,-2.3009;-3.05,-.5933,-1.7607;-3.7631,.9204,-1.2275;.3989,1.2889,.7047;-1.383,2.7086,.2365;-.5199,1.2745,-1.5983;-1.7493,.7037,-3.2839;-2.2588,2.1936,-2.495;-.0707,1.7682,2.0688;1.158,1.9634,.2759;.792,.2671,.6877;-1.1434,2.8318,1.7476;-2.4398,2.7641,-.0501;-.8299,3.4801,-.323;.0617,.3509,-1.7265;.1068,2.1248,-1.9133;-.5107,.927,2.6224;.7642,2.1621,2.6633;-2.0674,2.6427,2.3084;-.8094,3.8489,1.9956;-2.6062,.5162,1.0973;-1.0967,-1.8172,.3495; 0.4165331 0.3023132 0.2361027 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 53. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 353 353 353 353 353 MxSgAt= 36 MxSgA2= 36. 1 open 1 1 1 -884.187601176531 -884.187601177 1 0.7621 6.929069434383e+02 -4.642264379857e+03 1.737135624657e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572605822 LenY= 1572480772 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. 0.7621 Using compressed storage, NAtomX= 36. Will process 37 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. Defaulting to unpruned grid for atomic number 53. 10813 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= 108 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= 108 NMatS0= 108 NMatT0= 0 NMatD0= 108 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. There are 111 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 108 vectors produced by pass 0 Test12= 3.62D-14 1.00D-09 XBig12= 1.80D+02 3.45D+00. AX will form 108 AO Fock derivatives at one time. 108 vectors produced by pass 1 Test12= 3.62D-14 1.00D-09 XBig12= 1.79D+01 9.02D-01. 108 vectors produced by pass 2 Test12= 3.62D-14 1.00D-09 XBig12= 3.28D-01 7.96D-02. 108 vectors produced by pass 3 Test12= 3.62D-14 1.00D-09 XBig12= 4.42D-03 1.23D-02. 108 vectors produced by pass 4 Test12= 3.62D-14 1.00D-09 XBig12= 5.26D-05 1.69D-03. 108 vectors produced by pass 5 Test12= 3.62D-14 1.00D-09 XBig12= 5.35D-07 1.15D-04. 103 vectors produced by pass 6 Test12= 3.62D-14 1.00D-09 XBig12= 4.03D-09 7.72D-06. 44 vectors produced by pass 7 Test12= 3.62D-14 1.00D-09 XBig12= 2.66D-11 4.79D-07. 11 vectors produced by pass 8 Test12= 3.62D-14 1.00D-09 XBig12= 2.17D-13 4.12D-08. 3 vectors produced by pass 9 Test12= 3.62D-14 1.00D-09 XBig12= 2.09D-15 3.23D-09. InvSVY: IOpt=1 It= 1 EMax= 5.33D-15 Solved reduced A of dimension 809 with 111 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 170.73 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 163.643 5.051 180.097 11.558 -4.922 168.437 177.050 9.588 215.950 10.928 -8.811 202.449 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 C C C C H C H C H H H B C N C H H C C C H H C H H C H H H H H H H H H I 13 13 13 13 1 13 1 13 1 1 1 11 13 14 13 1 1 13 13 13 1 1 13 1 1 13 1 1 1 1 1 1 1 1 1 127 0.55354 0.00511 0.00504 0.05837 0.01029 0.05862 0.01035 -0.01281 0.00227 0.00225 0.00113 -0.00008 0.00003 0.00023 0.00000 0.00001 0.00001 -0.00041 -0.00007 -0.00028 -0.00000 -0.00001 0.00003 0.00002 0.00002 -0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00012 0.00001 622.28182 5.74906 5.66708 65.61710 46.01497 65.90539 46.25511 -14.40073 10.13023 10.07460 5.05134 -0.10800 0.03587 0.07447 0.00308 0.06635 0.02430 -0.45846 -0.08055 -0.31266 -0.01266 -0.02776 0.02962 0.08214 0.10325 -0.01187 -0.00304 -0.00335 0.01534 0.05486 -0.01625 -0.00000 0.00223 0.00275 0.52312 0.00692 222.04563 2.05141 2.02216 23.41381 16.41929 23.51668 16.50497 -5.13854 3.61472 3.59487 1.80245 -0.03854 0.01280 0.02657 0.00110 0.02367 0.00867 -0.16359 -0.02874 -0.11157 -0.00452 -0.00991 0.01057 0.02931 0.03684 -0.00424 -0.00108 -0.00120 0.00547 0.01958 -0.00580 -0.00000 0.00080 0.00098 0.18666 0.00247 207.57087 1.91768 1.89033 21.88751 15.34894 21.98367 15.42904 -4.80357 3.37908 3.36052 1.68495 -0.03602 0.01197 0.02484 0.00103 0.02213 0.00811 -0.15293 -0.02687 -0.10429 -0.00422 -0.00926 0.00988 0.02740 0.03444 -0.00396 -0.00101 -0.00112 0.00512 0.01830 -0.00542 -0.00000 0.00074 0.00092 0.17450 0.00231 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 -0.109270 -0.082029 -0.063241 0.005792 -0.011531 0.008889 -0.009406 -0.035161 -0.005087 -0.002294 -0.001887 0.001427 0.001032 0.000934 0.000666 0.001210 0.000668 0.000254 0.000220 0.000740 0.000552 0.000328 -0.000131 -0.001504 0.000781 0.000036 0.000290 -0.000046 0.001538 -0.000084 0.000115 -0.000537 0.000136 -0.000120 0.000872 0.009207 0.640699 0.038832 0.004058 0.035807 -0.007161 0.031488 -0.011375 0.017975 0.002591 -0.001967 0.000538 -0.000037 -0.000359 0.000587 -0.000124 -0.000656 -0.000240 0.001164 0.000424 0.000311 -0.000353 0.000040 0.000467 0.003253 0.002300 0.000347 0.000196 0.000653 0.000248 0.001072 -0.000189 0.000556 0.000102 0.000398 -0.000283 -0.005118 -0.531429 0.043198 0.059183 -0.041600 0.018692 -0.040376 0.020781 0.017186 0.002496 0.004261 0.001349 -0.001390 -0.000673 -0.001521 -0.000541 -0.000554 -0.000428 -0.001418 -0.000644 -0.001052 -0.000199 -0.000367 -0.000336 -0.001749 -0.003081 -0.000383 -0.000486 -0.000607 -0.001786 -0.000988 0.000074 -0.000019 -0.000238 -0.000278 -0.000589 -0.004088 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 0.547703 0.047409 0.061572 0.018822 -0.000590 0.021025 0.000997 0.035471 0.001766 0.003320 0.001425 -0.001486 -0.000801 -0.001959 -0.000950 -0.000427 -0.000498 -0.002825 -0.000934 -0.001763 -0.000738 -0.000679 -0.001176 -0.002257 -0.006391 -0.000731 -0.000698 -0.000823 -0.003660 -0.001627 -0.000975 -0.000764 -0.000540 -0.000501 -0.000799 0.000421 0.004162 0.012802 0.059836 -0.009877 0.003815 -0.004195 0.009288 0.017791 -0.001547 0.005502 0.000954 -0.000350 0.000357 -0.000363 0.000598 0.000527 0.000157 -0.001143 -0.000153 0.000790 0.000854 0.000350 -0.000841 -0.000407 -0.004025 -0.000362 -0.000067 -0.000035 0.002373 0.000579 -0.001140 -0.000597 -0.000341 -0.000219 -0.000550 -0.003639 0.090433 -0.069324 0.033324 0.003825 -0.011384 0.014605 0.000772 -0.007993 -0.007695 0.005435 -0.000488 0.000162 -0.000232 0.000033 -0.000453 -0.000140 -0.000087 0.001793 0.000144 -0.000897 -0.000516 -0.000307 0.001149 0.001100 0.004649 0.000452 0.000042 0.000033 -0.002192 -0.000926 0.001053 0.001251 0.000344 0.000364 0.000234 -0.000060 0.1974 -0.1648 0.9664 0.8634 -0.4376 -0.251 0.4642 0.8839 0.0559 -0.546 -0.3881 0.9341 -73.268 -52.076 125.343 -26.144 -18.582 44.726 -24.439 -17.371 41.81 1 C 13 0.8757 -0.4063 -0.2607 0.4652 0.5656 0.681 0.1292 0.7176 -0.6843 -0.1078 -0.0056 0.1135 -14.471 -0.757 15.227 -5.163 -0.27 5.434 -4.827 -0.252 5.079 2 C 13 0.88 -0.4143 -0.2323 0.2078 0.7756 -0.596 0.4271 0.4762 0.7686 -0.108 -0.005 0.1131 -14.496 -0.678 15.174 -5.173 -0.242 5.414 -4.835 -0.226 5.062 3 C 13 0.2284 -0.0999 0.9684 0.8706 -0.4244 -0.249 0.4359 0.9 -0.01 -0.0443 -6.0E-4 0.0449 -5.948 -0.075 6.023 -2.122 -0.027 2.149 -1.984 -0.025 2.009 4 C 13 0.7987 -0.5273 -0.2899 0.592 0.7748 0.2219 0.1076 -0.3489 0.931 -0.0125 -0.0109 0.0234 -6.683 -5.801 12.484 -2.385 -2.07 4.455 -2.229 -1.935 4.164 5 H 1 0.1656 -0.2298 0.959 0.8587 -0.4446 -0.2548 0.4849 0.8657 0.1238 -0.0446 -8.0E-4 0.0454 -5.985 -0.101 6.086 -2.136 -0.036 2.172 -1.996 -0.034 2.03 6 C 13 0.8058 -0.5529 -0.2119 0.5255 0.8327 -0.1743 0.2728 0.0291 0.9616 -0.0125 -0.0109 0.0234 -6.686 -5.82 12.506 -2.386 -2.077 4.462 -2.23 -1.941 4.172 7 H 1 0.8666 -0.4312 -0.251 0.1982 -0.1641 0.9663 0.4579 0.8872 0.0568 -0.058 0.0222 0.0358 -7.778 2.978 4.8 -2.775 1.063 1.713 -2.595 0.993 1.601 8 C 13 0.9118 -0.3694 -0.1791 0.383 0.6083 0.6952 0.1479 0.7025 -0.6962 -0.0055 -0.0051 0.0106 -2.934 -2.716 5.65 -1.047 -0.969 2.016 -0.979 -0.906 1.885 9 H 1 0.8684 -0.4276 -0.251 0.2171 0.7831 -0.5828 0.4457 0.4516 0.7729 -0.0055 -0.0051 0.0106 -2.945 -2.716 5.661 -1.051 -0.969 2.02 -0.982 -0.906 1.888 10 H 1 0.8781 -0.4087 -0.2488 0.4417 0.8923 0.0933 0.1839 -0.1918 0.9641 -0.0028 0.0012 0.0016 -1.505 0.636 0.868 -0.537 0.227 0.31 -0.502 0.212 0.29 11 H 1 0.1371 0.0309 0.9901 0.5161 0.8509 -0.098 0.8455 -0.5244 -0.1007 -0.0014 -0.001 0.0024 -0.245 -0.164 0.409 -0.088 -0.058 0.146 -0.082 -0.055 0.136 12 B 11 0.1207 0.6214 0.7741 0.4385 0.6662 -0.6032 0.8906 -0.4123 0.1921 -8.0E-4 -7.0E-4 0.0015 -0.108 -0.091 0.199 -0.038 -0.032 0.071 -0.036 -0.03 0.066 13 C 13 0.3438 0.2881 0.8937 0.58 0.6834 -0.4434 0.7385 -0.6708 -0.0679 -0.0016 -0.0011 0.0027 -0.064 -0.042 0.106 -0.023 -0.015 0.038 -0.021 -0.014 0.035 14 N 14 0.036 0.5727 0.819 0.6245 0.6269 -0.4658 0.7802 -0.5282 0.335 -8.0E-4 -7.0E-4 0.0016 -0.112 -0.098 0.21 -0.04 -0.035 0.075 -0.037 -0.033 0.07 15 C 13 0.101 0.9231 0.3711 -0.3194 -0.3231 0.8908 0.9422 -0.2085 0.2622 -8.0E-4 -7.0E-4 0.0015 -0.405 -0.369 0.774 -0.145 -0.132 0.276 -0.135 -0.123 0.258 16 H 1 0.2469 0.7558 0.6065 -0.3436 -0.5169 0.7841 0.9061 -0.402 0.132 -5.0E-4 -4.0E-4 9.0E-4 -0.252 -0.235 0.487 -0.09 -0.084 0.174 -0.084 -0.078 0.162 17 H 1 -0.3654 -0.6274 0.6876 0.7142 0.2848 0.6394 -0.597 0.7248 0.344 -0.0024 -0.0019 0.0043 -0.328 -0.254 0.583 -0.117 -0.091 0.208 -0.11 -0.085 0.194 18 C 13 0.2968 0.1287 0.9462 0.686 0.6606 -0.305 -0.6643 0.7396 0.1078 -7.0E-4 -6.0E-4 0.0013 -0.09 -0.082 0.172 -0.032 -0.029 0.061 -0.03 -0.027 0.057 19 C 13 0.1248 0.5338 0.8363 0.6974 0.5524 -0.4566 0.7057 -0.6402 0.3034 -0.0015 -0.0012 0.0027 -0.202 -0.157 0.36 -0.072 -0.056 0.128 -0.067 -0.053 0.12 20 C 13 0.0091 0.7639 0.6453 0.6577 0.4815 -0.5793 0.7532 -0.4297 0.4981 -8.0E-4 -7.0E-4 0.0015 -0.426 -0.395 0.821 -0.152 -0.141 0.293 -0.142 -0.132 0.274 21 H 1 0.1707 0.6138 0.7708 0.6562 0.5128 -0.5536 0.735 -0.6003 0.3152 -5.0E-4 -5.0E-4 0.001 -0.285 -0.266 0.55 -0.102 -0.095 0.196 -0.095 -0.089 0.184 22 H 1 0.0345 -0.5616 0.8267 0.8476 0.4547 0.2735 -0.5295 0.6913 0.4917 -0.0012 -0.001 0.0022 -0.155 -0.139 0.293 -0.055 -0.049 0.105 -0.052 -0.046 0.098 23 C 13 0.9224 0.3806 -0.0655 0.1314 -0.1496 0.98 -0.3632 0.9125 0.188 -0.0024 -0.002 0.0044 -1.284 -1.052 2.336 -0.458 -0.375 0.833 -0.428 -0.351 0.779 24 H 1 0.2122 -0.3541 0.9108 0.7674 0.6374 0.0691 -0.605 0.6843 0.407 -0.0058 -0.0049 0.0107 -3.109 -2.609 5.718 -1.109 -0.931 2.04 -1.037 -0.87 1.907 25 H 1 0.1753 -0.3102 0.9344 0.7893 0.6115 0.0549 -0.5884 0.7279 0.352 -6.0E-4 -6.0E-4 0.0012 -0.081 -0.074 0.155 -0.029 -0.027 0.055 -0.027 -0.025 0.052 26 C 13 0.2785 0.2246 0.9338 0.6243 0.6966 -0.3537 0.7299 -0.6814 -0.0538 -5.0E-4 -5.0E-4 9.0E-4 -0.265 -0.24 0.505 -0.094 -0.086 0.18 -0.088 -0.08 0.169 27 H 1 0.3792 0.2227 0.8981 0.7429 0.5054 -0.4389 -0.5517 0.8336 0.0263 -6.0E-4 -6.0E-4 0.0012 -0.327 -0.312 0.639 -0.117 -0.111 0.228 -0.109 -0.104 0.213 28 H 1 -0.0387 0.5079 0.8605 0.7105 0.6196 -0.3337 0.7027 -0.5985 0.3848 -0.0032 -0.0028 0.006 -1.701 -1.477 3.177 -0.607 -0.527 1.134 -0.567 -0.493 1.06 29 H 1 0.2076 0.4677 0.8592 0.8108 0.4092 -0.4186 -0.5473 0.7835 -0.2943 -0.0014 -0.0012 0.0026 -0.721 -0.643 1.364 -0.257 -0.229 0.487 -0.241 -0.214 0.455 30 H 1 0.1318 -0.6782 0.723 0.7903 0.5121 0.3363 -0.5983 0.527 0.6035 -0.0011 -0.001 0.0021 -0.599 -0.535 1.133 -0.214 -0.191 0.404 -0.2 -0.178 0.378 31 H 1 -0.0782 -0.6437 0.7612 0.9275 0.233 0.2923 -0.3655 0.7289 0.5789 -0.001 -9.0E-4 0.0019 -0.542 -0.489 1.031 -0.193 -0.175 0.368 -0.181 -0.163 0.344 32 H 1 0.0793 -0.4689 0.8797 0.7506 0.6088 0.2569 0.656 -0.6399 -0.4003 -5.0E-4 -4.0E-4 9.0E-4 -0.241 -0.223 0.464 -0.086 -0.08 0.166 -0.08 -0.074 0.155 33 H 1 0.0327 -0.3827 0.9233 0.873 0.4607 0.1601 -0.4866 0.8008 0.3491 -4.0E-4 -4.0E-4 9.0E-4 -0.233 -0.226 0.459 -0.083 -0.081 0.164 -0.078 -0.075 0.153 34 H 1 0.4124 0.2502 0.8759 0.3082 0.8665 -0.3927 0.8573 -0.432 -0.2802 -8.0E-4 -7.0E-4 0.0015 -0.417 -0.359 0.776 -0.149 -0.128 0.277 -0.139 -0.12 0.259 35 H 1 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) PT8369.600S Tue Jul 1 09:36:15 2025 -14.52521 -10.35461 -10.34383 -10.34038 -10.33017 -10.32224 -10.32133 -10.31862 -10.31727 -10.31606 -10.31505 -10.31042 -10.30130 -10.26033 -6.89587 -6.85437 -4.91356 -4.90579 -4.90514 -1.94794 -1.94568 -1.94509 -1.93843 -1.93842 -1.08966 -0.96822 -0.92210 -0.85724 -0.85525 -0.84666 -0.84374 -0.77582 -0.73992 -0.71748 -0.70757 -0.69575 -0.69318 -0.67154 -0.63267 -0.61718 -0.60536 -0.57128 -0.56644 -0.55337 -0.54753 -0.53272 -0.52556 -0.52252 -0.50782 -0.49198 -0.48484 -0.48289 -0.46495 -0.45862 -0.45094 -0.44782 -0.44360 -0.43013 -0.42418 -0.41482 -0.40766 -0.37531 -0.34858 -0.34612 -0.33490 -0.33015 -0.28852 -0.28543 0.04372 0.05102 0.10409 0.12109 0.13128 0.13392 0.14339 0.16093 0.16717 0.17118 0.18328 0.18587 0.18825 0.19964 0.20233 0.20887 0.21365 0.21639 0.22042 0.22396 0.22965 0.23588 0.24147 0.24705 0.25055 0.26262 0.27750 0.28085 0.29629 0.31949 0.33144 0.33882 0.34313 0.34650 0.35479 0.37399 0.37510 0.39002 0.39991 0.42866 0.45283 0.45759 0.46731 0.47118 0.47488 0.48576 0.49045 0.50019 0.50587 0.51373 0.52413 0.53294 0.54230 0.54883 0.55297 0.55672 0.56327 0.57105 0.57583 0.58654 0.59536 0.61189 0.61649 0.62386 0.63271 0.63851 0.64387 0.65273 0.65700 0.67502 0.68447 0.68598 0.69236 0.69986 0.70682 0.71201 0.71412 0.71664 0.72853 0.73187 0.73797 0.74026 0.74609 0.74951 0.75487 0.75747 0.76352 0.76929 0.77200 0.77589 0.78308 0.78944 0.79624 0.79853 0.80887 0.80933 0.81329 0.82009 0.83100 0.83736 0.84033 0.85589 0.86645 0.87536 0.88372 0.89058 0.90562 0.92118 0.92569 0.93956 0.94439 0.98678 1.00413 1.01432 1.02587 1.06059 1.08846 1.09915 1.11027 1.12852 1.15001 1.16815 1.19694 1.20108 1.25217 1.27692 1.31211 1.31891 1.32587 1.33451 1.35357 1.36609 1.37515 1.37633 1.40506 1.42400 1.43001 1.44227 1.46380 1.48657 1.49839 1.50525 1.52087 1.53482 1.53939 1.57184 1.59981 1.61491 1.65846 1.69527 1.70156 1.73073 1.74051 1.77301 1.78135 1.79436 1.79747 1.80588 1.81485 1.82211 1.82923 1.83478 1.84328 1.84939 1.85072 1.85956 1.86352 1.87063 1.87582 1.88549 1.89003 1.89969 1.90278 1.90828 1.92154 1.92852 1.93124 1.93532 1.94770 1.96266 1.97219 1.98491 1.98807 2.00059 2.00409 2.02776 2.03162 2.04695 2.05841 2.06295 2.06735 2.07639 2.08539 2.09491 2.11177 2.11997 2.14532 2.15457 2.16341 2.18184 2.21400 2.23005 2.23356 2.24187 2.25317 2.27858 2.28440 2.29624 2.32981 2.33953 2.36144 2.37683 2.38108 2.38456 2.38988 2.39865 2.40246 2.41760 2.43829 2.44285 2.45393 2.49099 2.53855 2.54397 2.58616 2.60068 2.62519 2.65082 2.66695 2.69391 2.70653 2.72096 2.72171 2.72627 2.74849 2.75716 2.77993 2.79144 2.80008 2.80684 2.83158 2.84121 2.89618 2.90428 2.91652 2.92262 2.94737 2.96787 2.97750 3.01491 3.02502 3.04707 3.05587 3.08017 3.10186 3.10305 3.15733 3.18181 3.18897 3.19534 3.23562 3.26878 3.27035 3.67124 18.93822 19.02455 19.21657 56.79525 -14.52521 -10.35461 -10.34383 -10.34039 -10.32098 -10.32006 -10.31903 -10.31771 -10.31606 -10.31593 -10.31570 -10.31042 -10.30130 -10.26033 -6.89580 -6.85437 -4.91352 -4.90568 -4.90510 -1.94789 -1.94560 -1.94506 -1.93836 -1.93834 -1.08966 -0.96017 -0.92211 -0.85724 -0.85182 -0.84375 -0.83440 -0.77580 -0.73969 -0.71727 -0.70321 -0.69573 -0.68049 -0.67152 -0.63264 -0.60946 -0.60515 -0.57128 -0.56644 -0.54535 -0.54018 -0.53268 -0.52279 -0.52049 -0.50774 -0.49147 -0.48071 -0.47151 -0.46483 -0.45742 -0.45092 -0.44346 -0.44256 -0.43009 -0.42417 -0.41479 -0.40755 -0.37527 -0.34714 -0.33902 -0.33325 -0.28998 -0.28562 -0.01091 0.04286 0.06372 0.10424 0.12110 0.13138 0.13481 0.14370 0.16127 0.16761 0.17130 0.18402 0.18656 0.18840 0.20032 0.20290 0.20912 0.21388 0.21669 0.22363 0.22691 0.23071 0.23602 0.24160 0.24718 0.25199 0.26268 0.27756 0.28148 0.29649 0.31973 0.33169 0.33966 0.34533 0.34804 0.35592 0.37406 0.38004 0.40034 0.40240 0.42986 0.45456 0.45865 0.46775 0.47458 0.47836 0.48780 0.49434 0.50137 0.51026 0.51480 0.52585 0.53366 0.54339 0.54966 0.55425 0.56129 0.56441 0.57152 0.57732 0.58735 0.59771 0.61219 0.62322 0.63278 0.63441 0.64465 0.65012 0.65575 0.65860 0.67671 0.68609 0.68775 0.69285 0.69966 0.70820 0.71336 0.71548 0.71929 0.72938 0.73209 0.73846 0.74138 0.74692 0.75087 0.75548 0.75798 0.76464 0.77101 0.77282 0.77694 0.78353 0.78962 0.79707 0.79990 0.81000 0.81230 0.81922 0.82283 0.83468 0.83918 0.84134 0.85726 0.86860 0.87931 0.88428 0.89155 0.90628 0.92157 0.92674 0.94113 0.94950 0.99123 1.00622 1.01467 1.02704 1.06145 1.08873 1.09996 1.11109 1.12878 1.15120 1.17042 1.19746 1.20199 1.25383 1.27699 1.31304 1.32283 1.32635 1.33590 1.35441 1.36718 1.37647 1.37811 1.40528 1.42407 1.43021 1.44228 1.46388 1.48709 1.49864 1.50575 1.52272 1.53918 1.56515 1.57202 1.60013 1.61501 1.65855 1.69787 1.71227 1.73462 1.74174 1.77685 1.78388 1.79563 1.79800 1.80626 1.81817 1.82402 1.83158 1.83992 1.84970 1.85049 1.85337 1.86305 1.86689 1.87112 1.87837 1.88577 1.89302 1.90210 1.90558 1.91375 1.92215 1.93112 1.93431 1.93989 1.94860 1.96369 1.97255 1.98667 1.99439 2.00191 2.00837 2.02877 2.03302 2.04770 2.06013 2.06340 2.06778 2.07786 2.08727 2.09519 2.11494 2.12820 2.14706 2.15529 2.16353 2.18194 2.21432 2.23268 2.23966 2.24569 2.25501 2.28148 2.28643 2.29664 2.32989 2.34850 2.36212 2.37719 2.38854 2.39366 2.39539 2.40228 2.40762 2.41808 2.44037 2.44699 2.45417 2.49108 2.53861 2.54412 2.58621 2.60546 2.62532 2.65146 2.66853 2.69481 2.70957 2.72106 2.72691 2.73441 2.74863 2.75717 2.78002 2.79259 2.80064 2.80734 2.83162 2.84122 2.89642 2.91652 2.92541 2.92588 2.94758 2.97180 2.97862 3.01493 3.02505 3.04709 3.05589 3.08023 3.10275 3.11054 3.15735 3.18185 3.18903 3.20013 3.23563 3.26886 3.27900 3.67767 18.93828 19.02477 19.21662 56.79527 2-A. 1.03826923e+00 2.52309457e+00 -2.51684960e-01 1.63642616e+02 5.05109083e+00 1.80096580e+02 1.15575111e+01 -4.92153169e+00 1.68437243e+02 -13.8754 -7.4823 -2.4178 -0.0006 -0.0004 0.0001 17.3127 20.9331 26.1691 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 15.1272 19.8592 26.0495 49.6803 59.3235 66.6972 76.2433 122.7338 123.9071 173.7815 182.6499 232.5792 248.1597 329.4356 406.8841 432.2141 434.8769 463.5476 521.8005 593.1433 602.2511 616.9374 634.7565 659.8256 690.8606 713.6244 735.2817 767.8015 789.0613 842.9396 844.1615 860.7874 876.2646 915.4390 917.2402 936.0479 953.8072 982.0860 983.3445 996.8910 999.6991 1007.4113 1024.8316 1035.2406 1046.3204 1056.4017 1060.0261 1066.9570 1080.0275 1086.2570 1106.9708 1131.3476 1168.2508 1169.9998 1171.2938 1209.3014 1217.5710 1240.2656 1248.7625 1257.3100 1274.1855 1283.3107 1300.0025 1313.6171 1325.7094 1340.5495 1357.3807 1358.1870 1373.7986 1390.9476 1416.8221 1453.9996 1465.6247 1473.2869 1475.4400 1480.6399 1486.3353 1487.3325 1495.9529 1507.1406 1625.5057 1679.6498 2571.4191 3065.7295 3070.0104 3072.4963 3078.0739 3082.1195 3098.5453 3105.5303 3128.7228 3146.5651 3153.9384 3157.0155 3167.9395 3177.1724 3194.9367 3197.5647 3202.0565 3211.5140 3216.3310 3224.4513 4.2283 4.4361 7.1629 3.3172 4.1966 3.8691 5.9891 3.2673 1.9418 2.2139 3.3507 2.8423 2.5714 2.2189 2.7922 2.6158 3.5367 3.3448 2.8860 2.8123 6.3755 6.8892 1.9724 2.8004 2.2865 4.9263 1.3914 1.4130 1.3125 1.2772 1.6728 1.7959 1.8577 1.3815 2.7343 2.4412 1.7384 5.0351 1.8814 1.3929 1.6726 1.4267 1.3286 4.0489 1.8077 1.8704 1.4755 1.6495 1.4738 1.7931 2.0407 1.9624 2.0740 1.1220 1.1124 1.4115 1.6324 1.2991 1.2392 1.3919 1.3828 1.2978 1.3355 1.5321 1.3375 1.4308 1.8228 3.0241 1.3962 1.4341 1.4498 1.0737 1.0767 2.1668 1.1221 1.0914 2.2925 1.1065 1.1114 1.1081 5.5614 7.0444 1.0934 1.0661 1.0687 1.0663 1.0705 1.0687 1.0622 1.0654 1.1030 1.1005 1.1043 1.1084 1.1057 1.1034 1.0857 1.0994 1.0882 1.0946 1.0954 1.1005 0.0006 0.0010 0.0029 0.0048 0.0087 0.0101 0.0205 0.0290 0.0176 0.0394 0.0659 0.0906 0.0933 0.1419 0.2724 0.2879 0.3941 0.4235 0.4630 0.5830 1.3624 1.5449 0.4682 0.7183 0.6430 1.4781 0.4432 0.4908 0.4815 0.5347 0.7024 0.7840 0.8404 0.6821 1.3554 1.2602 0.9318 2.8613 1.0719 0.8156 0.9849 0.8531 0.8221 2.5566 1.1660 1.2298 0.9768 1.1064 1.0129 1.2466 1.4734 1.4799 1.6677 0.9049 0.8992 1.2162 1.4258 1.1774 1.1386 1.2964 1.3227 1.2593 1.3298 1.5577 1.3850 1.5150 1.9787 3.2867 1.5525 1.6347 1.7147 1.3374 1.3627 2.7711 1.4391 1.4097 2.9840 1.4422 1.4654 1.4830 8.6578 11.7093 4.2598 5.9033 5.9347 5.9310 5.9756 5.9815 6.0083 6.0538 6.3615 6.4194 6.4719 6.5088 6.5380 6.5622 6.5296 6.6228 6.5737 6.6513 6.6764 6.7411 0.0286 0.4088 1.4655 0.1479 0.0578 0.0394 0.2204 1.8184 0.1485 0.3585 1.4649 0.4163 2.6038 0.6481 0.0319 5.4443 3.3761 0.5207 16.7299 8.5325 0.4933 1.2647 9.7185 3.1628 28.9754 31.4061 76.5391 14.4583 0.2511 1.6553 5.3466 0.6877 6.4646 3.3397 16.1809 8.4380 2.5852 4.9390 10.6230 0.0609 4.8585 37.7658 0.0497 0.7223 31.1213 5.3427 71.5326 24.1076 4.1780 3.1201 4.0874 8.4790 34.6548 0.0650 0.4508 13.5005 21.6730 6.1065 1.9265 4.9447 7.7406 16.9505 0.0208 6.0579 0.5044 5.1780 5.9311 2.7063 3.1327 5.8007 1.2622 6.2524 2.1815 4.0172 8.1714 37.4274 11.2201 15.5297 9.2121 11.8266 2.1768 1.7971 124.0085 9.6470 9.8179 21.0544 38.3089 32.7841 13.1750 23.7036 7.6162 6.7372 13.9423 2.2795 6.7443 9.7548 0.4875 2.3045 3.3743 4.4144 4.9581 5.7947 0.03 -0.05 0.21 -0.08 -0.19 0.12 0.10 0.12 0.13 -0.12 -0.15 -0.08 -0.14 -0.32 0.19 0.06 0.15 -0.07 0.19 0.22 0.22 -0.05 0.01 -0.17 -0.21 -0.26 -0.16 0.11 0.28 -0.14 -0.08 0.04 -0.32 0.00 0.00 -0.01 0.02 0.03 -0.02 0.00 0.01 0.03 0.03 0.06 0.01 0.04 0.04 -0.05 0.02 0.02 -0.02 -0.00 -0.00 0.04 -0.00 0.00 0.05 0.02 0.05 0.03 0.04 0.09 -0.00 0.03 0.06 0.03 -0.02 -0.04 0.04 -0.00 0.01 0.06 -0.00 -0.00 0.02 -0.02 -0.03 0.06 0.00 0.01 0.04 0.00 0.02 0.08 0.02 0.05 0.01 0.02 0.06 0.05 -0.03 -0.05 0.02 -0.03 -0.05 0.06 -0.02 -0.05 0.04 -0.02 -0.04 0.08 -0.01 -0.02 -0.01 0.00 0.00 -0.04 0.01 0.03 -0.11 -0.00 0.04 -0.10 0.02 0.02 -0.11 -0.01 0.04 -0.09 -0.00 0.04 -0.10 0.01 0.02 -0.10 0.04 0.00 -0.12 -0.01 0.03 -0.09 -0.03 0.05 -0.09 0.02 0.01 -0.10 -0.01 0.04 -0.09 0.01 -0.00 -0.06 0.14 -0.01 -0.14 0.04 -0.01 0.04 0.22 0.01 -0.05 0.20 -0.01 -0.17 0.12 -0.02 -0.23 -0.03 -0.03 0.14 0.02 -0.01 -0.01 0.16 -0.01 0.07 0.30 0.03 -0.05 0.24 0.02 -0.06 -0.15 -0.03 0.11 0.01 -0.04 0.21 -0.04 -0.03 0.17 -0.11 -0.01 0.02 0.05 0.00 -0.10 0.08 -0.01 0.04 0.16 -0.02 0.11 0.20 -0.02 0.12 -0.21 -0.03 0.06 -0.19 -0.04 0.18 -0.16 -0.01 -0.06 -0.11 -0.02 0.05 -0.08 0.02 -0.12 -0.04 -0.01 0.05 -0.20 -0.10 -0.03 -0.15 -0.09 -0.02 -0.18 -0.14 -0.03 -0.08 -0.13 -0.01 -0.17 -0.06 -0.03 -0.11 -0.18 -0.01 -0.22 -0.15 -0.03 -0.06 -0.17 -0.00 -0.04 -0.12 -0.00 -0.09 -0.22 -0.01 -0.01 -0.20 0.01 0.02 -0.01 -0.03 0.06 -0.06 -0.06 -0.04 0.06 0.01 0.01 0.04 -0.01 0.17 -0.08 -0.09 -0.00 -0.15 -0.09 -0.05 0.12 0.03 -0.13 0.02 0.02 -0.01 0.11 0.01 0.06 0.09 -0.03 -0.05 0.02 0.02 -0.11 0.07 0.03 -0.09 0.18 0.06 0.01 0.15 0.02 -0.17 0.00 0.03 -0.13 -0.04 0.00 -0.17 0.07 0.05 0.05 0.15 0.01 -0.05 0.15 0.04 -0.07 0.03 0.01 -0.15 0.11 0.06 -0.17 -0.07 0.01 -0.25 0.02 0.06 -0.03 -0.05 -0.05 0.13 0.04 0.01 0.08 -0.04 -0.01 0.04 -0.02 0.00 0.05 -0.03 -0.00 -0.03 0.02 0.02 0.06 -0.02 -0.01 -0.01 0.00 0.02 0.08 -0.05 -0.01 -0.05 0.03 0.03 -0.06 0.03 0.03 -0.04 0.01 0.03 -0.10 0.05 0.05 -0.01 -0.01 -0.10 0.04 -0.07 -0.14 -0.01 0.01 -0.07 -0.06 0.16 -0.05 0.27 -0.09 -0.22 -0.07 -0.27 -0.17 0.02 -0.03 -0.11 -0.01 -0.02 0.04 -0.04 0.11 -0.08 -0.08 0.36 -0.14 -0.13 0.18 0.17 0.05 -0.15 -0.06 -0.01 0.03 -0.08 0.04 -0.02 -0.21 0.03 -0.13 0.04 -0.02 -0.02 0.08 -0.04 0.03 0.08 -0.05 0.11 -0.16 -0.05 0.13 -0.04 0.06 -0.20 -0.13 0.05 -0.20 -0.05 0.05 -0.17 0.06 0.04 -0.14 0.10 -0.06 0.02 -0.14 -0.01 0.02 0.05 -0.12 0.12 0.05 0.05 0.03 -0.00 -0.10 0.12 0.04 0.26 -0.07 -0.07 0.02 0.04 0.00 0.12 0.01 -0.03 -0.24 0.19 0.08 0.30 -0.08 -0.08 0.41 -0.15 -0.12 0.15 -0.00 -0.04 0.47 -0.17 -0.13 -0.03 -0.02 -0.02 -0.02 -0.03 -0.03 -0.04 0.01 -0.00 -0.05 0.05 0.00 0.06 -0.04 -0.06 -0.05 -0.10 -0.04 -0.03 0.00 -0.01 -0.06 -0.01 0.04 -0.05 0.05 -0.01 -0.05 0.11 -0.03 -0.08 0.05 0.07 -0.03 -0.03 0.00 -0.04 0.01 -0.01 -0.03 0.00 -0.03 -0.06 -0.05 0.04 -0.06 -0.02 0.04 -0.07 0.01 0.06 -0.04 0.06 -0.03 -0.06 0.06 0.01 0.00 -0.05 -0.01 -0.03 -0.02 -0.00 -0.05 -0.10 0.03 -0.09 -0.05 0.07 -0.05 -0.02 -0.03 -0.01 -0.01 0.01 0.01 0.01 0.04 -0.16 0.10 0.09 0.23 -0.10 -0.02 -0.10 0.07 0.08 -0.32 0.18 0.14 0.28 -0.13 -0.03 0.36 -0.17 -0.06 0.12 -0.04 0.02 -0.23 0.13 0.12 0.46 -0.22 -0.08 0.16 -0.07 0.01 -0.02 -0.00 -0.02 -0.01 -0.02 -0.02 -0.03 0.00 -0.02 -0.02 -0.01 -0.02 0.00 -0.02 -0.02 -0.02 -0.03 -0.03 -0.03 0.02 -0.01 -0.04 -0.00 -0.03 -0.02 -0.00 -0.02 -0.01 -0.00 -0.02 -0.03 -0.01 -0.02 -0.05 0.03 -0.01 -0.03 0.03 -0.00 -0.01 0.03 0.01 -0.06 0.01 -0.03 -0.04 -0.01 -0.04 -0.05 0.00 -0.03 -0.02 -0.00 -0.01 -0.02 -0.00 -0.02 -0.04 0.03 -0.01 -0.06 0.04 -0.01 -0.06 0.00 -0.04 -0.08 0.02 -0.03 -0.03 -0.00 -0.02 -0.01 0.01 -0.00 0.31 -0.16 -0.08 0.29 -0.16 -0.08 0.19 -0.11 -0.04 0.14 -0.09 -0.04 0.39 -0.21 -0.10 0.04 -0.03 -0.00 0.22 -0.12 -0.05 0.02 -0.02 -0.00 0.13 -0.08 -0.03 -0.06 0.02 0.02 -0.10 0.03 0.03 -0.06 0.01 0.04 -0.08 0.02 0.05 -0.08 0.03 0.03 -0.06 -0.04 0.02 -0.14 0.02 0.08 -0.05 0.07 0.06 -0.08 0.07 0.04 -0.12 0.01 0.02 -0.07 0.02 0.03 -0.04 -0.11 0.05 -0.07 -0.06 -0.06 -0.11 0.05 0.03 -0.10 0.10 0.04 -0.03 0.08 0.03 -0.16 0.00 0.03 -0.11 -0.01 -0.01 -0.12 0.03 0.04 -0.03 0.04 0.05 -0.10 0.04 0.02 -0.08 0.03 0.03 -0.13 0.09 0.04 -0.16 -0.05 0.00 -0.21 0.02 0.05 -0.05 -0.01 0.05 -0.01 0.04 -0.01 -0.03 0.02 0.01 -0.03 0.02 0.01 -0.02 0.01 0.00 -0.01 0.01 0.00 -0.04 0.02 0.01 -0.00 0.00 -0.00 -0.03 0.01 0.01 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.01 -0.00 -0.00 0.02 -0.01 -0.01 -0.02 0.02 0.01 -0.06 0.04 0.04 0.01 -0.04 -0.03 0.02 -0.16 -0.05 -0.27 0.06 0.12 0.04 0.22 0.07 0.01 -0.08 -0.03 0.08 -0.03 0.00 0.00 -0.08 -0.03 0.04 -0.36 0.04 0.06 -0.19 -0.27 -0.02 -0.17 -0.01 0.00 -0.04 0.02 0.02 -0.07 -0.09 -0.07 -0.20 0.04 0.11 0.09 -0.11 0.21 -0.02 0.13 0.04 -0.06 0.01 -0.02 -0.07 -0.06 0.01 -0.22 -0.06 -0.04 -0.17 0.02 -0.11 -0.35 -0.07 -0.17 -0.21 0.21 0.00 0.03 0.02 0.01 0.07 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 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 -0.01 0.01 0.00 -0.01 0.00 0.00 -0.02 0.01 0.00 0.03 0.00 0.00 0.03 0.01 0.00 0.03 0.01 -0.00 0.02 0.01 -0.00 0.01 0.02 0.00 0.03 0.02 0.01 0.05 0.05 -0.03 0.01 0.00 0.01 0.02 0.03 -0.00 0.03 -0.01 0.00 0.02 -0.00 -0.02 0.14 0.14 -0.02 0.04 0.01 -0.11 0.04 0.05 0.01 -0.13 -0.10 0.03 0.04 0.04 -0.09 0.09 0.02 0.11 0.04 0.04 -0.01 0.01 0.04 -0.00 0.39 0.13 0.17 0.16 0.38 -0.20 -0.12 -0.45 -0.07 -0.45 -0.03 0.18 0.03 -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 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.03 0.00 0.01 -0.04 0.03 0.01 0.02 -0.07 -0.00 -0.08 0.16 0.08 0.08 0.03 -0.06 -0.09 -0.08 0.02 -0.02 -0.09 0.05 0.10 -0.01 -0.09 -0.01 -0.12 -0.00 -0.22 0.38 -0.04 0.00 0.24 0.36 -0.05 0.02 0.01 0.04 -0.16 0.04 -0.07 -0.11 0.13 -0.07 -0.02 -0.07 0.14 0.09 -0.21 0.24 -0.07 -0.04 -0.21 -0.24 -0.03 0.14 -0.24 -0.02 -0.03 0.06 0.09 -0.06 0.09 -0.02 -0.12 -0.10 -0.18 -0.16 -0.01 -0.01 -0.01 0.01 0.02 0.02 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.10 -0.07 -0.01 0.03 -0.19 -0.10 -0.07 -0.08 0.07 0.03 -0.08 0.01 0.25 -0.24 -0.11 -0.08 -0.34 -0.25 -0.03 -0.10 0.03 -0.04 -0.07 0.07 -0.01 -0.09 0.08 0.09 0.02 -0.03 0.01 -0.07 0.10 0.14 0.08 0.03 -0.00 -0.21 -0.08 -0.11 -0.13 0.11 0.08 0.02 0.04 -0.07 -0.10 0.15 -0.10 -0.09 -0.02 -0.02 -0.10 0.11 0.02 -0.11 0.11 0.23 0.15 0.22 0.22 0.17 -0.15 0.13 0.02 0.12 0.06 0.05 -0.05 -0.18 -0.04 -0.06 -0.01 0.06 -0.03 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.12 -0.01 -0.10 -0.10 0.22 -0.10 -0.09 -0.04 0.01 0.05 0.07 -0.09 -0.38 0.30 -0.14 0.04 0.45 -0.02 -0.08 -0.10 -0.01 -0.06 -0.03 0.03 -0.01 0.00 0.02 0.10 -0.04 -0.03 0.15 0.08 -0.22 0.06 0.04 -0.01 -0.03 -0.22 -0.09 -0.18 -0.14 0.05 0.03 0.02 0.01 -0.08 -0.03 0.09 -0.09 -0.04 -0.02 -0.03 -0.01 0.03 0.05 -0.01 0.10 0.12 0.11 0.14 0.14 0.10 -0.16 0.07 0.02 0.07 0.03 0.03 -0.04 -0.15 -0.08 -0.09 0.03 -0.02 0.02 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 0.01 -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 -0.07 0.06 -0.02 -0.02 -0.08 -0.05 -0.06 0.08 0.00 -0.04 -0.06 -0.04 0.08 -0.13 0.00 -0.07 -0.15 -0.11 -0.08 -0.08 0.03 0.17 0.18 0.01 -0.07 0.09 -0.01 0.04 -0.11 -0.01 -0.12 -0.11 -0.12 -0.01 0.02 0.03 0.03 -0.20 0.02 -0.23 -0.13 0.06 0.02 0.05 0.04 0.23 0.45 -0.14 0.44 0.08 0.13 0.02 0.14 0.01 -0.14 0.14 -0.02 -0.02 0.07 0.10 0.04 0.01 -0.04 -0.04 -0.02 -0.08 -0.03 0.04 0.18 -0.09 0.04 -0.03 0.01 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.10 -0.04 -0.00 0.02 -0.01 0.06 0.06 -0.05 -0.02 -0.04 -0.00 0.00 -0.04 0.01 0.06 0.04 0.01 0.15 -0.01 -0.16 0.07 -0.01 -0.09 -0.04 0.00 0.18 -0.06 -0.02 -0.07 0.04 -0.14 -0.06 -0.08 -0.02 0.03 0.02 0.15 -0.35 0.07 -0.19 -0.24 0.20 -0.02 0.00 -0.06 -0.02 -0.19 -0.03 -0.09 -0.07 -0.07 0.21 0.33 -0.23 -0.22 0.37 0.03 -0.01 0.11 0.15 -0.00 0.10 -0.05 -0.02 0.04 -0.05 -0.02 0.02 -0.13 0.14 -0.01 0.02 -0.01 0.02 0.00 -0.01 0.01 0.00 -0.17 0.09 0.05 0.18 -0.09 -0.05 0.18 -0.09 -0.05 -0.38 0.19 0.11 -0.17 0.08 0.05 0.42 -0.21 -0.12 -0.01 0.00 0.00 0.40 -0.20 -0.12 -0.38 0.19 0.11 -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 -0.01 -0.00 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 -0.01 -0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.03 0.01 0.01 -0.01 0.00 0.00 -0.02 0.01 0.01 0.02 -0.01 -0.01 -0.03 0.01 0.01 -0.02 0.01 0.01 0.04 -0.02 -0.01 0.07 0.19 0.08 0.09 0.02 0.08 -0.03 0.11 -0.05 0.05 0.00 0.01 0.26 -0.06 0.18 0.01 -0.10 -0.05 -0.10 -0.12 -0.05 -0.13 0.07 0.01 0.04 -0.06 -0.02 -0.03 0.02 -0.00 0.08 0.03 0.07 -0.00 -0.04 -0.07 0.10 -0.35 -0.05 -0.38 -0.23 -0.03 -0.02 -0.02 0.01 -0.17 -0.07 0.13 -0.29 0.17 -0.02 -0.08 -0.16 0.14 0.18 -0.18 -0.09 0.04 0.01 0.03 0.06 -0.01 -0.17 0.01 -0.06 0.05 -0.02 -0.04 0.06 0.13 0.17 0.12 0.00 -0.01 -0.00 0.29 -0.14 -0.08 -0.11 0.06 0.03 -0.09 0.05 0.03 -0.10 0.05 0.03 -0.34 0.17 0.10 -0.12 0.06 0.03 -0.31 0.15 0.08 0.21 -0.11 -0.06 -0.29 0.14 0.08 -0.32 0.16 0.09 0.42 -0.21 -0.12 -0.01 -0.02 -0.01 -0.01 -0.00 -0.01 0.00 -0.01 0.01 -0.01 -0.00 -0.00 -0.03 0.01 -0.02 0.00 0.01 0.01 0.01 0.01 0.01 0.01 -0.01 -0.00 -0.01 0.01 0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.00 0.01 0.01 -0.00 0.04 0.01 0.04 0.03 0.00 0.00 0.00 -0.00 0.02 0.01 -0.01 0.03 -0.02 0.00 0.00 0.02 -0.01 -0.02 0.02 0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.02 -0.00 0.01 -0.01 0.00 0.01 -0.01 -0.02 -0.02 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.13 -0.05 0.13 0.04 0.01 0.06 -0.10 -0.05 0.06 0.12 0.03 0.14 0.08 0.02 0.01 0.03 0.01 -0.04 -0.04 -0.01 -0.14 0.02 0.01 -0.09 0.05 0.11 0.18 0.18 0.04 0.15 0.10 0.01 0.12 -0.00 -0.05 -0.16 -0.12 0.03 -0.21 0.00 0.00 -0.20 -0.01 -0.03 -0.12 0.04 0.14 -0.17 0.17 -0.10 -0.09 0.26 0.26 0.09 -0.10 0.29 0.35 -0.03 -0.08 -0.22 -0.01 -0.10 -0.12 -0.01 -0.08 -0.15 -0.03 -0.04 -0.07 -0.15 -0.04 0.11 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.20 0.28 0.08 -0.08 0.05 -0.04 0.06 -0.04 0.01 -0.02 -0.02 -0.02 0.33 -0.13 0.14 -0.27 -0.21 -0.43 0.10 0.02 0.06 -0.00 -0.10 -0.04 -0.00 0.04 -0.02 0.01 -0.09 0.02 -0.01 -0.03 -0.12 0.02 -0.00 0.05 0.04 0.09 0.07 0.16 0.05 0.05 0.00 -0.05 -0.05 -0.02 -0.22 -0.00 -0.12 -0.04 -0.08 0.10 0.11 -0.10 -0.12 0.13 0.01 0.02 -0.02 0.02 -0.04 0.05 0.10 0.00 -0.01 -0.04 -0.01 -0.03 -0.10 -0.14 0.33 0.10 0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.12 0.07 0.10 0.17 0.07 0.04 -0.12 -0.14 0.03 -0.02 0.07 -0.15 0.31 0.00 0.11 0.07 -0.11 0.02 -0.10 0.02 -0.02 0.04 -0.09 0.01 -0.10 -0.01 -0.03 0.03 -0.15 -0.04 -0.06 0.02 -0.35 -0.01 0.00 0.03 -0.31 0.23 -0.05 0.15 0.13 -0.09 0.01 0.00 0.02 0.09 0.15 -0.11 0.29 -0.24 0.05 -0.19 -0.06 -0.09 0.04 -0.04 0.17 0.07 0.03 0.14 0.07 0.05 -0.11 0.00 0.13 0.05 0.08 0.01 -0.11 0.07 0.01 0.09 -0.00 0.00 -0.00 0.03 -0.02 0.15 0.15 0.17 0.24 -0.06 -0.24 0.22 0.06 0.24 -0.22 0.09 -0.01 0.33 -0.15 -0.17 -0.24 0.04 -0.11 0.32 -0.03 0.02 -0.15 -0.03 0.13 -0.31 -0.09 -0.02 -0.32 0.04 -0.04 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 -0.01 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 0.01 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.01 -0.00 0.01 -0.01 0.00 0.01 0.00 -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 0.20 0.40 0.02 -0.04 0.05 -0.23 0.05 -0.02 0.22 -0.06 0.00 -0.21 -0.15 -0.27 -0.06 0.03 -0.06 0.22 -0.13 -0.28 0.02 -0.16 -0.32 -0.02 0.12 0.23 -0.04 0.14 0.21 0.07 -0.15 -0.32 -0.03 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.02 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 -0.01 -0.00 -0.00 0.00 -0.00 -0.02 -0.01 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.01 -0.03 0.03 0.04 0.02 -0.03 0.05 0.01 0.08 -0.03 0.04 -0.06 0.12 0.01 -0.04 -0.02 -0.08 -0.01 0.15 -0.04 -0.02 -0.00 0.00 0.04 -0.12 0.01 0.09 0.17 -0.19 0.07 -0.08 -0.03 -0.34 -0.01 0.04 -0.10 0.30 -0.28 -0.14 -0.09 -0.14 0.15 -0.05 0.05 -0.00 0.01 -0.09 -0.02 -0.03 0.01 0.03 -0.30 -0.11 0.09 0.07 -0.14 0.07 -0.20 -0.05 -0.38 -0.15 -0.15 0.21 -0.02 -0.09 -0.00 -0.14 0.06 0.05 -0.06 -0.07 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -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 0.01 -0.01 -0.00 -0.05 0.04 0.02 -0.02 0.01 0.02 0.02 -0.12 -0.04 0.03 -0.04 0.02 -0.01 -0.01 0.07 -0.01 0.04 -0.09 0.00 -0.01 -0.10 0.03 -0.07 0.15 0.09 -0.04 -0.11 -0.17 0.15 -0.10 0.10 0.04 0.27 -0.07 0.10 -0.12 0.04 -0.14 -0.23 -0.04 -0.03 0.15 -0.08 0.11 0.16 0.10 0.09 -0.05 0.24 -0.12 0.30 0.28 0.09 -0.16 -0.09 0.12 -0.05 -0.15 0.02 -0.30 -0.07 -0.12 0.02 -0.02 0.16 0.29 -0.02 0.13 0.01 0.01 0.10 0.04 0.00 -0.00 -0.00 0.12 -0.06 -0.03 -0.09 0.05 0.03 -0.09 0.04 0.02 0.15 -0.07 -0.04 -0.45 0.22 0.13 0.15 -0.07 -0.04 -0.46 0.23 0.13 -0.12 0.06 0.03 0.04 -0.02 -0.01 0.03 -0.01 -0.01 -0.50 0.25 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 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.02 -0.01 -0.01 0.02 -0.01 -0.00 0.03 -0.02 -0.01 0.30 0.28 -0.30 -0.16 -0.03 -0.07 -0.04 -0.06 0.07 -0.03 -0.06 0.13 -0.10 -0.09 0.05 -0.14 -0.03 -0.00 -0.01 -0.01 -0.02 0.00 -0.06 0.02 -0.04 -0.01 0.21 0.16 0.05 0.10 0.03 -0.04 0.14 -0.00 0.00 -0.06 -0.14 0.06 -0.14 0.07 0.02 -0.05 -0.02 0.00 -0.02 0.05 0.05 -0.11 0.18 -0.18 0.04 0.05 0.05 0.21 -0.12 0.05 0.23 -0.02 -0.01 -0.09 -0.01 -0.02 -0.05 0.01 0.05 0.04 0.02 0.01 -0.12 0.39 0.14 -0.24 -0.00 -0.00 0.00 0.09 -0.04 -0.03 -0.08 0.04 0.02 -0.08 0.04 0.02 -0.00 0.00 0.00 0.25 -0.12 -0.07 -0.01 0.00 0.00 0.26 -0.13 -0.07 -0.08 0.04 0.02 0.47 -0.24 -0.14 0.48 -0.24 -0.14 0.38 -0.19 -0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.09 -0.02 -0.10 0.05 0.01 0.05 0.03 -0.04 0.01 0.03 0.05 0.34 -0.03 -0.07 -0.29 -0.27 -0.19 -0.02 0.00 -0.03 0.01 -0.02 0.01 0.04 0.02 0.01 0.08 -0.27 0.21 0.07 -0.01 -0.30 -0.03 -0.01 -0.02 0.01 0.01 0.04 -0.02 0.00 -0.05 -0.04 -0.01 0.03 0.05 0.02 -0.13 0.09 0.02 0.13 -0.07 -0.06 0.04 0.14 -0.08 -0.06 0.15 0.00 0.15 0.01 0.15 -0.19 -0.02 0.25 0.15 0.21 -0.05 -0.13 0.23 -0.13 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 -0.05 0.04 0.02 0.06 -0.06 -0.01 0.03 0.05 0.00 -0.00 -0.00 0.00 -0.27 0.03 -0.02 0.21 0.18 0.17 0.05 -0.00 -0.01 -0.01 -0.03 0.01 -0.04 0.02 0.02 0.06 0.10 -0.04 -0.10 -0.03 0.09 -0.02 -0.02 -0.01 0.10 -0.04 0.01 -0.02 -0.03 -0.02 -0.06 -0.05 -0.01 0.05 0.07 -0.21 0.14 -0.01 0.19 -0.13 -0.04 0.06 0.04 -0.06 -0.04 0.21 -0.04 0.13 -0.06 0.24 -0.12 -0.02 0.39 0.21 0.33 -0.11 -0.29 -0.19 0.17 -0.10 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.07 -0.03 -0.02 -0.07 0.04 0.02 0.05 -0.03 -0.02 -0.46 0.22 0.13 -0.05 0.02 0.02 0.46 -0.23 -0.13 0.00 -0.00 0.00 -0.38 0.19 0.11 0.36 -0.18 -0.10 -0.01 0.01 0.01 0.02 -0.01 0.03 -0.02 0.01 -0.01 -0.01 0.00 0.01 0.01 -0.01 -0.03 -0.00 -0.01 0.00 -0.03 0.01 -0.07 0.01 0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.07 -0.07 0.04 0.02 0.06 0.01 -0.00 0.01 0.03 -0.03 -0.01 -0.02 -0.01 0.02 -0.00 -0.01 -0.01 -0.00 0.04 -0.03 0.02 -0.00 0.01 0.05 0.03 0.01 -0.05 0.03 0.01 0.01 -0.02 -0.01 -0.02 0.01 0.03 0.00 0.03 0.02 0.03 -0.02 -0.02 0.09 -0.05 0.08 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 0.01 0.02 -0.01 -0.01 -0.02 0.01 0.00 0.15 -0.07 -0.04 0.02 -0.01 -0.00 -0.15 0.07 0.04 -0.00 0.00 0.00 0.12 -0.06 -0.04 -0.12 0.06 0.03 0.00 -0.00 -0.00 0.08 -0.04 0.11 -0.07 0.03 -0.06 -0.04 0.01 0.03 0.02 -0.03 -0.10 -0.01 -0.02 0.01 -0.10 0.03 -0.28 0.06 0.01 0.02 -0.05 0.05 -0.02 -0.03 -0.04 0.01 -0.06 0.27 -0.25 0.13 0.08 0.21 0.03 -0.01 0.02 0.13 -0.11 -0.05 -0.07 -0.04 0.06 -0.02 -0.04 -0.02 -0.02 0.17 -0.12 0.09 0.01 0.06 0.21 0.11 0.03 -0.21 0.11 0.06 0.06 -0.07 -0.04 -0.08 0.07 0.11 0.01 0.12 0.08 0.14 -0.08 -0.10 0.33 -0.21 0.30 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.03 0.01 0.14 -0.08 -0.10 -0.07 0.06 -0.01 -0.01 0.03 0.03 -0.05 -0.34 -0.01 -0.15 0.04 0.15 -0.07 -0.02 -0.05 -0.03 0.06 -0.01 0.03 -0.01 0.04 0.03 0.24 0.13 -0.07 -0.07 0.00 -0.03 -0.06 -0.02 -0.04 -0.13 0.16 0.11 0.18 0.03 -0.13 -0.01 0.07 0.02 0.02 -0.23 0.15 -0.15 0.04 -0.11 -0.15 -0.05 0.00 0.14 -0.06 0.05 0.02 0.08 0.18 0.07 0.04 -0.26 -0.07 -0.06 -0.12 -0.10 0.06 0.17 0.32 0.22 0.26 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.05 0.07 0.09 -0.00 0.05 -0.04 0.05 -0.03 -0.05 0.01 0.20 0.02 0.10 -0.00 -0.03 -0.07 0.08 -0.08 -0.01 0.00 0.11 0.02 -0.06 -0.06 0.01 -0.13 0.02 -0.04 0.06 0.01 0.13 -0.06 -0.06 -0.05 -0.07 0.17 0.11 0.32 0.01 -0.14 -0.05 0.07 0.01 -0.03 -0.11 0.10 -0.16 0.12 -0.13 0.16 0.09 -0.07 -0.29 0.11 0.01 0.18 0.03 0.28 0.00 0.23 -0.33 -0.12 0.11 -0.07 0.09 -0.02 0.19 -0.20 -0.18 -0.13 -0.00 0.00 0.00 -0.02 0.01 0.01 0.08 -0.04 -0.02 0.08 -0.04 -0.02 -0.02 0.01 0.00 -0.47 0.22 0.14 -0.02 0.01 0.01 -0.45 0.22 0.12 -0.08 0.04 0.02 0.12 -0.06 -0.04 0.14 -0.07 -0.04 0.51 -0.25 -0.15 -0.00 0.01 -0.00 -0.01 -0.02 0.01 -0.01 -0.02 0.00 -0.00 0.01 -0.01 -0.02 -0.01 -0.00 -0.01 -0.02 0.05 0.02 -0.01 0.01 -0.03 0.03 -0.01 0.03 0.00 -0.01 -0.01 -0.02 0.00 -0.01 0.01 -0.04 0.02 -0.01 0.00 -0.01 0.01 -0.00 0.05 -0.00 -0.01 -0.01 0.01 0.00 -0.02 0.05 -0.05 0.02 0.00 0.00 0.00 -0.01 -0.02 0.06 -0.00 0.04 0.01 -0.01 -0.00 0.01 -0.02 0.02 0.00 0.01 0.03 -0.00 0.01 0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.03 -0.01 -0.01 0.03 -0.02 -0.01 -0.01 0.00 0.00 -0.16 0.08 0.05 -0.01 0.00 0.00 -0.16 0.08 0.04 -0.03 0.02 0.01 0.05 -0.02 -0.01 0.04 -0.02 -0.01 0.18 -0.09 -0.05 -0.01 -0.03 -0.00 0.07 0.10 -0.04 0.03 0.11 -0.02 0.02 -0.08 0.04 0.13 0.04 0.07 0.05 0.11 -0.28 -0.10 0.08 -0.03 0.15 -0.15 0.07 -0.13 -0.01 0.04 0.04 0.13 -0.06 0.04 -0.03 0.26 -0.09 0.06 -0.03 0.06 -0.07 0.01 -0.27 0.02 0.06 0.07 -0.08 -0.04 0.09 -0.27 0.30 -0.08 -0.02 0.02 -0.04 0.03 0.16 -0.29 0.01 -0.21 -0.06 0.07 0.00 -0.07 0.09 -0.08 0.00 -0.07 -0.15 0.01 -0.06 -0.08 0.09 -0.14 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 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.02 0.05 0.04 -0.05 0.02 0.05 -0.02 0.02 -0.04 0.08 0.03 0.07 -0.10 0.06 0.10 -0.18 -0.00 -0.04 -0.08 -0.02 -0.07 -0.09 -0.09 -0.01 -0.00 0.08 0.02 0.07 0.04 -0.03 0.09 0.12 -0.07 0.15 -0.00 -0.01 -0.03 -0.05 -0.06 -0.39 -0.10 0.15 0.07 0.05 -0.12 -0.35 0.06 -0.08 -0.03 -0.06 0.01 0.01 -0.20 0.00 -0.19 -0.04 -0.06 0.06 0.24 -0.33 0.19 -0.12 0.10 0.04 -0.29 0.26 -0.10 0.08 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 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.04 -0.01 -0.07 -0.04 0.00 0.09 0.00 0.07 0.04 -0.01 -0.02 -0.14 0.03 -0.19 0.51 -0.08 -0.07 0.05 0.01 -0.03 -0.03 0.04 -0.07 0.02 0.08 0.06 0.04 -0.12 0.23 -0.28 -0.13 -0.00 0.17 0.02 -0.02 0.02 -0.02 0.05 0.02 0.01 -0.02 -0.22 -0.03 0.04 -0.02 0.05 -0.13 -0.02 0.00 -0.04 0.02 -0.03 -0.03 0.22 0.31 -0.07 0.13 -0.02 0.02 0.04 0.04 -0.04 -0.00 -0.06 0.04 -0.06 -0.11 0.09 -0.11 -0.07 -0.38 -0.00 -0.00 0.00 0.00 0.13 0.26 0.02 -0.09 -0.09 -0.14 -0.02 -0.14 0.12 -0.00 -0.16 0.19 -0.08 -0.15 -0.11 -0.10 -0.08 -0.21 -0.10 -0.15 0.10 0.11 0.24 0.02 -0.15 -0.20 0.15 -0.13 -0.19 -0.16 0.17 0.21 0.00 0.02 -0.01 0.01 -0.02 -0.00 0.00 0.03 0.00 0.02 -0.03 0.02 -0.05 0.01 -0.00 -0.02 -0.04 -0.07 0.12 -0.04 0.06 -0.01 0.03 -0.01 -0.06 0.02 -0.03 0.04 -0.06 0.00 -0.04 0.05 0.05 -0.05 0.00 -0.02 -0.00 0.07 -0.10 -0.06 -0.18 0.00 0.11 -0.01 0.01 0.06 0.02 -0.17 -0.06 -0.07 0.01 -0.15 0.14 0.05 0.02 -0.06 0.06 0.12 0.13 -0.11 -0.04 0.06 -0.04 -0.07 -0.06 0.07 0.01 0.09 -0.04 0.12 -0.12 0.14 -0.10 0.00 -0.00 -0.00 0.03 0.06 0.00 -0.02 -0.02 -0.03 -0.01 -0.03 0.03 -0.00 -0.03 0.04 -0.02 -0.03 -0.03 -0.02 -0.02 -0.05 0.00 -0.05 0.02 0.03 0.05 0.00 -0.01 -0.05 0.03 -0.04 -0.03 -0.03 0.02 0.05 0.00 -0.03 0.01 -0.02 0.02 0.01 -0.00 -0.05 -0.00 -0.03 0.05 -0.03 0.07 0.00 -0.00 0.04 0.06 0.11 -0.21 0.07 -0.10 0.02 -0.06 0.02 0.10 -0.02 0.05 -0.06 0.08 0.00 0.06 -0.08 -0.08 0.09 -0.01 0.03 -0.00 -0.12 0.18 0.12 0.31 -0.01 -0.20 0.02 -0.01 -0.10 -0.04 0.30 0.08 0.13 -0.01 0.26 -0.23 -0.09 -0.02 0.11 -0.10 -0.19 -0.23 0.20 0.08 -0.10 0.06 0.11 0.11 -0.13 -0.00 -0.15 0.07 -0.21 0.19 -0.19 0.15 -0.00 0.00 0.00 0.00 0.01 -0.00 0.07 -0.04 -0.02 -0.07 0.04 0.02 -0.09 0.04 0.03 -0.38 0.16 0.11 0.08 -0.05 -0.03 0.37 -0.17 -0.09 0.00 0.00 0.00 0.48 -0.23 -0.13 -0.48 0.22 0.14 -0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.01 0.00 0.02 -0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.00 -0.02 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.02 -0.01 -0.01 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.01 -0.01 0.02 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -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 -0.01 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.02 -0.02 -0.01 -0.03 0.02 -0.07 -0.03 -0.02 0.04 0.03 0.02 -0.02 0.00 -0.05 -0.01 -0.03 0.08 0.06 -0.01 -0.12 0.07 0.03 0.04 0.01 -0.01 -0.03 0.04 -0.07 0.07 0.07 0.03 -0.07 -0.02 0.03 0.13 0.05 -0.14 -0.35 -0.07 -0.07 -0.20 -0.03 -0.01 -0.01 -0.02 -0.05 0.38 -0.16 0.03 -0.18 0.01 -0.00 -0.04 0.03 0.01 0.06 0.08 -0.09 0.05 -0.30 0.30 0.34 -0.23 0.22 -0.25 0.10 -0.06 0.01 0.05 -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 -0.02 0.02 0.00 0.01 -0.00 -0.00 0.03 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.00 -0.00 -0.04 0.02 0.01 0.02 -0.01 -0.01 0.05 -0.04 0.06 -0.04 0.00 -0.00 0.01 0.07 0.02 -0.03 0.01 -0.05 0.06 0.08 -0.25 -0.10 -0.16 0.21 0.00 -0.04 -0.03 0.00 -0.03 0.08 0.03 -0.05 0.02 -0.19 -0.06 -0.03 0.24 0.12 -0.09 0.00 0.01 0.01 -0.03 0.07 0.10 0.03 -0.03 -0.27 0.00 -0.00 -0.08 0.01 0.05 0.06 0.06 0.01 0.20 0.26 0.08 0.14 -0.14 0.07 0.01 -0.15 0.13 0.08 -0.02 0.00 0.04 0.04 -0.06 -0.04 -0.15 0.08 -0.22 -0.24 0.44 -0.21 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.02 0.02 0.01 -0.03 0.02 0.01 0.07 -0.04 -0.02 0.18 -0.06 -0.06 0.08 -0.04 -0.02 0.19 -0.07 -0.04 -0.10 0.04 0.03 -0.43 0.22 0.13 -0.44 0.23 0.12 0.52 -0.28 -0.16 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -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 -0.06 -0.12 -0.01 -0.09 -0.10 -0.13 -0.04 -0.13 0.11 0.00 0.11 -0.21 -0.16 -0.38 -0.01 0.09 0.04 0.22 -0.16 -0.37 -0.04 0.12 0.25 0.02 -0.15 -0.02 -0.35 -0.01 -0.14 0.35 0.17 0.26 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.03 0.00 -0.00 0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.02 0.01 0.01 0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.02 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.05 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 0.01 0.00 -0.01 0.01 0.01 0.00 0.00 0.01 -0.00 -0.01 -0.08 -0.05 -0.05 0.01 0.11 0.00 -0.03 -0.08 0.12 0.02 -0.05 0.10 -0.14 0.38 -0.11 -0.09 0.03 0.03 -0.01 -0.01 -0.03 0.01 -0.04 -0.11 0.00 0.04 0.41 0.25 -0.13 0.15 0.06 0.09 -0.03 0.03 0.02 0.04 0.00 0.04 0.07 0.00 0.03 0.04 -0.01 0.04 -0.03 0.08 -0.06 0.03 -0.00 -0.01 -0.11 0.01 -0.03 -0.14 -0.01 -0.06 -0.06 0.07 0.07 -0.05 0.05 0.04 0.07 -0.08 0.08 0.02 -0.02 0.12 -0.01 0.54 -0.20 0.00 -0.00 -0.00 0.06 0.12 0.01 0.04 -0.01 0.16 -0.03 0.04 -0.16 -0.02 -0.02 -0.04 -0.08 -0.41 0.37 -0.01 -0.04 0.03 -0.23 -0.26 -0.41 0.01 0.02 0.00 -0.20 -0.26 -0.22 -0.12 -0.33 0.19 0.02 0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.01 0.01 -0.00 -0.02 0.05 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.05 0.01 0.00 0.04 0.02 -0.02 -0.00 -0.00 -0.00 0.00 0.01 0.02 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.01 -0.01 -0.04 0.01 -0.01 -0.01 0.01 0.01 0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.01 0.01 -0.01 -0.00 -0.05 0.01 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.02 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.04 0.03 0.00 -0.00 0.01 -0.03 -0.02 -0.04 0.00 0.00 0.00 -0.03 -0.03 -0.03 -0.01 -0.04 0.02 0.01 0.00 -0.00 0.05 -0.08 0.02 0.01 0.08 -0.04 -0.02 -0.03 0.01 -0.07 -0.09 0.02 0.09 0.04 0.03 -0.01 0.11 -0.39 0.00 0.00 -0.02 -0.01 0.02 -0.00 0.05 0.08 0.02 -0.26 0.00 -0.05 -0.30 -0.15 0.18 0.00 -0.00 0.02 0.01 -0.05 -0.08 -0.01 -0.00 0.02 -0.00 0.00 -0.00 -0.02 0.04 0.04 0.01 -0.05 -0.08 -0.15 -0.06 0.08 0.33 -0.10 0.09 0.05 -0.04 -0.01 -0.05 0.06 0.05 -0.04 0.02 -0.06 0.05 -0.04 0.08 -0.03 0.57 -0.17 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -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 -0.13 -0.01 -0.08 0.10 0.01 -0.01 0.01 0.00 -0.06 -0.06 -0.00 -0.04 0.03 0.05 -0.06 0.11 -0.04 0.26 0.02 -0.02 -0.01 -0.01 0.00 -0.02 0.01 -0.03 0.11 -0.29 -0.09 -0.02 -0.06 0.01 -0.01 -0.01 0.02 0.01 0.00 0.03 0.03 0.07 -0.00 -0.05 0.01 -0.01 0.03 -0.01 0.04 -0.02 -0.01 0.04 0.02 0.15 0.05 0.13 -0.05 0.04 0.18 -0.06 0.06 0.02 -0.05 0.03 0.06 0.05 -0.04 0.08 -0.01 -0.00 0.03 0.69 0.24 0.32 0.00 0.00 0.00 -0.00 0.01 -0.02 0.06 0.08 0.04 -0.04 -0.09 0.03 -0.03 -0.07 0.04 0.17 0.47 -0.14 0.04 0.06 0.05 -0.24 -0.41 -0.20 -0.01 0.01 -0.06 -0.15 -0.28 -0.11 0.11 0.29 -0.05 -0.09 0.08 -0.45 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 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 0.01 -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 0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.01 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 0.01 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.02 -0.01 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.02 0.04 0.03 0.05 -0.01 0.00 -0.03 0.01 0.03 -0.00 -0.03 -0.01 0.01 -0.03 0.02 -0.06 -0.00 0.02 -0.05 0.02 -0.07 -0.07 -0.02 -0.03 -0.11 0.03 0.00 0.02 -0.06 -0.01 0.01 -0.04 -0.01 -0.01 -0.08 0.10 0.02 -0.07 0.06 -0.03 0.07 -0.05 -0.32 0.09 -0.05 0.11 0.03 -0.12 -0.32 0.03 -0.01 -0.04 0.04 0.01 0.04 0.05 0.01 0.07 -0.22 0.23 0.10 -0.26 0.22 0.18 0.23 -0.21 0.27 0.10 -0.09 0.27 -0.25 -0.27 -0.05 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 0.01 0.01 0.01 -0.02 0.12 -0.05 0.01 -0.04 0.01 -0.01 -0.03 -0.08 0.22 0.02 0.05 -0.09 -0.13 -0.04 -0.05 0.02 0.13 0.02 0.00 -0.04 0.05 0.20 0.07 -0.01 -0.19 -0.06 -0.03 0.07 0.08 0.04 -0.26 0.07 -0.10 0.11 0.05 -0.06 -0.06 -0.10 -0.04 0.02 -0.20 -0.00 -0.16 0.36 0.16 0.01 0.01 -0.26 -0.05 0.03 0.14 -0.21 0.10 -0.17 0.06 -0.20 0.25 0.01 0.16 0.15 0.09 -0.08 -0.31 -0.05 -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 0.02 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.01 0.00 0.01 0.00 -0.04 0.11 -0.06 -0.01 -0.04 0.02 0.00 -0.06 -0.09 0.22 0.04 0.06 -0.05 -0.01 0.10 -0.10 -0.10 0.01 0.06 0.02 -0.05 0.04 0.16 0.01 0.03 -0.20 -0.05 -0.06 -0.06 -0.06 0.07 0.30 -0.16 0.03 -0.38 -0.04 -0.14 0.08 0.04 -0.06 -0.06 0.28 -0.06 0.17 -0.10 0.18 0.04 0.00 -0.26 -0.02 0.04 0.21 -0.00 0.04 0.28 -0.00 0.10 -0.12 0.06 -0.17 -0.17 -0.17 0.10 0.06 -0.05 -0.12 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 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 0.01 0.01 -0.01 -0.04 0.02 -0.01 0.01 -0.06 -0.04 -0.03 -0.06 0.00 -0.01 0.00 0.04 0.02 0.24 0.03 0.02 -0.01 -0.02 -0.06 0.12 0.01 -0.02 0.08 -0.07 -0.00 -0.01 -0.03 -0.00 0.02 0.02 -0.00 -0.11 0.01 0.01 -0.01 0.05 0.02 -0.04 0.02 -0.01 -0.02 -0.15 0.00 -0.13 -0.13 -0.02 -0.24 0.02 0.02 -0.05 0.05 -0.17 -0.30 0.08 -0.11 -0.01 -0.03 -0.03 -0.12 -0.10 -0.02 -0.41 0.05 -0.07 -0.09 -0.22 0.23 0.13 0.04 -0.09 -0.06 0.14 -0.10 0.26 0.33 0.28 0.08 0.00 -0.00 0.00 -0.01 -0.02 -0.01 -0.01 -0.03 0.02 -0.02 -0.03 -0.01 0.03 0.04 0.05 -0.13 -0.41 0.21 0.01 0.03 -0.02 -0.18 -0.27 -0.19 -0.01 0.00 -0.02 0.32 0.44 0.37 0.10 0.29 -0.15 -0.05 0.04 -0.26 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.02 -0.01 -0.01 -0.00 -0.02 -0.01 -0.01 -0.01 -0.01 -0.02 -0.01 0.01 0.04 -0.04 -0.14 -0.21 -0.18 0.01 -0.01 0.06 -0.11 -0.15 -0.13 0.17 0.51 -0.28 0.14 -0.12 0.67 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.01 -0.02 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 -0.01 -0.00 0.00 -0.00 0.01 0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.02 0.05 -0.01 0.07 -0.08 0.04 -0.04 -0.03 -0.03 -0.09 0.00 0.15 0.05 -0.11 -0.11 -0.27 0.62 -0.02 -0.01 -0.02 -0.04 0.01 0.02 0.02 0.06 0.03 0.26 0.20 -0.11 0.01 -0.05 0.11 0.00 0.00 0.03 -0.10 -0.02 -0.16 0.11 0.03 0.17 0.01 0.00 -0.01 -0.02 0.08 -0.04 0.04 -0.07 -0.00 -0.06 -0.02 0.18 0.04 -0.09 -0.34 0.05 -0.05 -0.02 0.00 -0.01 0.04 -0.06 0.02 -0.13 0.04 -0.03 0.10 -0.05 -0.11 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 0.01 -0.04 0.04 0.02 0.03 -0.11 -0.06 0.04 -0.02 -0.08 0.06 0.05 -0.05 -0.24 0.57 0.05 0.03 0.10 0.02 -0.02 0.05 0.02 -0.04 -0.02 0.08 -0.06 -0.00 0.37 0.02 0.12 -0.20 -0.03 -0.17 0.02 0.01 -0.05 0.00 0.05 0.14 -0.01 -0.03 -0.17 -0.03 0.01 0.04 -0.04 0.18 0.25 0.02 -0.13 -0.16 0.21 0.02 0.01 -0.13 0.03 -0.17 0.04 -0.03 -0.09 -0.08 0.07 0.05 -0.03 0.05 0.05 -0.00 0.01 -0.02 0.01 0.10 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.02 -0.02 0.00 -0.00 0.02 -0.08 -0.04 0.05 0.00 -0.10 -0.07 0.17 0.06 0.11 -0.23 -0.03 -0.03 0.01 -0.02 -0.02 0.04 0.01 -0.01 0.04 -0.04 -0.05 0.05 0.07 0.07 -0.11 0.01 -0.04 0.02 -0.20 -0.01 -0.26 0.23 0.06 0.35 0.04 0.06 -0.04 0.06 -0.18 -0.28 -0.01 0.16 0.28 0.11 0.03 0.22 -0.08 0.01 -0.08 0.22 -0.22 -0.08 -0.19 0.21 0.13 0.01 -0.08 -0.14 -0.03 0.04 0.14 -0.07 -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 -0.00 -0.00 -0.00 0.00 0.00 0.00 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 0.03 0.03 -0.01 0.00 -0.03 0.00 -0.04 -0.01 0.10 0.13 -0.27 -0.06 -0.09 0.10 -0.03 0.01 0.06 0.04 -0.00 0.00 -0.00 -0.02 -0.00 0.24 0.13 -0.06 -0.21 -0.11 0.09 0.04 -0.05 -0.04 -0.02 0.04 0.14 -0.13 -0.02 -0.17 -0.01 0.06 -0.01 0.04 -0.09 0.01 -0.05 0.11 0.07 -0.03 -0.01 -0.23 0.05 0.03 0.24 0.19 -0.19 -0.13 -0.32 0.36 0.18 0.18 -0.14 0.23 -0.14 0.12 -0.09 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.01 -0.02 0.07 0.06 0.01 -0.06 -0.02 0.00 -0.03 -0.01 0.10 -0.22 0.01 0.05 -0.20 -0.04 -0.03 0.04 -0.05 -0.04 0.03 -0.01 -0.02 0.04 0.09 0.04 -0.04 -0.04 0.00 -0.01 0.07 0.05 -0.03 -0.02 0.08 0.26 -0.04 -0.02 -0.24 -0.02 0.01 -0.01 -0.05 0.21 0.06 0.12 -0.23 -0.05 0.05 0.02 0.03 -0.04 0.00 0.03 0.00 -0.02 -0.20 -0.02 -0.01 0.15 -0.25 0.15 -0.33 0.32 -0.21 0.42 -0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.03 0.02 -0.01 0.11 -0.01 0.02 0.05 -0.06 0.02 -0.04 0.01 0.19 -0.35 -0.01 0.04 -0.28 0.02 -0.01 -0.02 -0.01 0.00 -0.02 0.06 -0.04 0.00 0.42 0.18 -0.07 -0.38 -0.10 -0.06 -0.05 -0.00 0.02 -0.08 -0.04 -0.25 0.11 0.02 0.14 0.02 -0.02 0.02 -0.03 0.09 0.07 0.02 -0.06 -0.09 0.20 0.02 0.14 -0.13 -0.00 -0.27 0.00 0.01 0.08 0.08 -0.08 -0.11 0.01 -0.00 0.02 -0.12 0.07 -0.17 0.04 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 0.03 -0.02 -0.09 0.05 0.00 0.01 -0.01 0.02 0.06 0.02 -0.03 -0.04 -0.07 0.15 0.06 0.01 0.01 0.00 -0.04 0.02 0.02 -0.05 -0.05 0.21 0.06 0.01 -0.29 -0.13 0.04 -0.01 0.02 0.01 0.05 -0.01 -0.04 0.03 -0.00 0.04 0.01 0.01 -0.02 0.07 -0.25 -0.26 -0.06 0.25 0.35 0.03 -0.02 -0.18 0.02 0.07 0.30 -0.12 0.13 0.09 0.18 -0.19 -0.11 -0.14 0.07 -0.26 0.19 -0.13 0.25 0.06 0.07 0.01 -0.00 -0.00 0.00 0.02 -0.02 0.10 -0.03 -0.07 0.01 0.04 0.07 0.01 0.00 0.02 -0.03 0.15 0.47 -0.28 -0.01 -0.01 -0.03 -0.27 -0.37 -0.34 -0.01 0.01 -0.05 0.19 0.28 0.17 -0.13 -0.33 0.13 0.04 -0.03 0.19 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.02 -0.01 0.02 -0.05 -0.08 -0.04 -0.06 0.00 0.00 -0.02 0.02 -0.02 0.03 0.04 -0.10 0.02 0.07 -0.00 0.05 0.03 0.04 0.02 0.02 0.00 0.17 0.07 -0.01 0.10 0.06 -0.07 0.06 -0.06 -0.01 0.16 -0.04 0.09 -0.19 -0.01 -0.03 -0.08 0.03 -0.08 0.07 -0.26 -0.07 -0.05 0.04 -0.04 0.10 0.03 0.34 0.01 -0.05 -0.22 -0.32 0.31 0.25 -0.02 0.01 0.06 0.19 -0.12 0.32 0.22 -0.15 0.24 -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.01 -0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.01 0.02 -0.02 0.01 -0.05 -0.02 0.04 0.04 -0.00 -0.01 -0.01 0.02 0.01 0.00 -0.05 -0.02 -0.00 0.07 -0.05 -0.06 0.11 0.07 0.29 0.05 0.04 0.31 0.04 -0.05 0.08 0.06 -0.17 -0.29 0.01 -0.18 -0.23 0.03 0.01 0.03 0.01 0.00 0.05 -0.25 0.25 0.13 -0.22 0.22 0.16 -0.24 0.20 -0.31 -0.16 0.11 -0.24 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 -0.02 -0.01 -0.02 0.04 -0.01 0.02 -0.01 -0.00 0.03 -0.15 -0.07 0.03 0.01 0.01 0.00 0.07 0.07 -0.11 0.01 -0.01 0.00 -0.01 0.00 -0.02 0.00 0.03 -0.06 0.40 0.19 -0.03 0.67 0.23 -0.09 -0.02 0.02 -0.00 0.03 0.01 0.06 -0.01 -0.01 -0.08 0.03 -0.01 0.02 -0.00 -0.00 -0.04 -0.03 0.10 0.08 -0.00 0.02 -0.01 0.24 -0.02 0.27 0.08 -0.07 -0.07 0.03 -0.02 -0.04 -0.07 0.05 -0.11 -0.07 0.05 -0.09 0.08 0.04 0.02 0.00 -0.00 0.00 0.02 -0.01 0.08 0.02 0.07 -0.03 -0.04 -0.05 -0.04 -0.05 -0.06 -0.05 -0.01 -0.03 0.02 0.03 0.08 -0.04 0.02 0.02 0.02 0.01 -0.01 0.07 0.08 0.11 0.09 -0.05 -0.14 0.07 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.04 0.10 0.02 -0.01 -0.01 0.02 0.04 -0.01 0.01 0.01 0.01 0.04 -0.03 -0.02 -0.06 -0.00 -0.04 -0.00 -0.03 -0.03 -0.05 0.08 0.00 0.02 0.06 0.01 0.03 0.03 -0.04 0.02 -0.09 -0.01 -0.15 0.25 0.08 0.43 -0.06 0.03 -0.05 -0.04 0.22 0.19 0.07 -0.23 -0.20 0.04 0.02 -0.09 0.12 0.04 0.39 -0.11 0.12 0.15 -0.05 0.02 0.10 0.15 -0.11 0.25 0.13 -0.09 0.18 0.02 0.01 0.01 -0.00 -0.00 0.00 0.03 -0.03 0.16 0.05 0.13 -0.06 -0.08 -0.11 -0.08 -0.09 -0.12 -0.10 -0.02 -0.06 0.04 0.05 0.15 -0.08 0.04 0.05 0.05 0.03 -0.02 0.13 0.16 0.22 0.17 -0.10 -0.26 0.14 -0.00 0.00 -0.02 0.01 0.01 0.00 0.00 -0.00 0.01 -0.04 -0.08 -0.02 0.01 0.01 -0.01 -0.03 0.01 -0.01 -0.01 -0.01 -0.04 0.03 0.02 0.04 0.00 0.03 0.00 0.02 0.02 0.05 -0.07 -0.00 -0.01 -0.06 -0.01 -0.02 -0.03 0.04 -0.01 0.08 0.01 0.15 -0.21 -0.07 -0.35 0.05 -0.02 0.04 0.03 -0.19 -0.16 -0.06 0.19 0.16 -0.02 -0.01 0.08 -0.09 -0.04 -0.34 0.10 -0.11 -0.13 0.05 -0.03 -0.08 -0.11 0.08 -0.19 -0.10 0.07 -0.14 -0.02 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.01 0.00 0.02 0.02 0.02 0.02 -0.01 0.02 -0.00 0.00 0.05 -0.01 -0.03 -0.07 -0.00 0.05 0.07 -0.04 -0.02 -0.07 0.07 0.00 0.04 -0.17 -0.06 0.00 -0.05 0.07 0.06 0.19 0.07 0.43 0.06 -0.01 0.04 0.00 -0.01 -0.05 0.06 -0.18 -0.20 0.03 -0.19 -0.24 0.21 0.07 0.36 0.09 -0.03 0.16 0.31 -0.30 -0.21 0.12 -0.13 -0.03 0.13 -0.11 0.12 0.02 -0.02 -0.04 0.01 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.03 -0.05 0.06 0.02 0.02 0.00 0.04 -0.01 -0.01 0.01 0.03 0.03 -0.03 -0.00 -0.06 -0.00 -0.04 -0.12 -0.04 0.01 -0.07 0.02 -0.04 0.04 -0.15 -0.04 0.04 0.03 -0.01 -0.01 0.08 0.07 0.26 -0.02 -0.00 0.12 0.01 0.01 0.02 -0.11 0.22 0.32 -0.03 0.38 0.45 0.15 0.05 0.49 0.05 -0.03 0.04 -0.02 0.03 0.02 -0.10 0.08 0.10 -0.06 0.10 -0.05 -0.05 0.03 0.07 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 -0.01 0.01 -0.00 0.01 -0.06 0.01 0.03 -0.02 -0.02 -0.02 -0.07 0.03 -0.03 -0.02 -0.04 -0.07 -0.01 -0.03 -0.12 0.01 -0.02 -0.03 0.08 0.01 0.08 -0.04 0.04 -0.06 0.12 0.04 -0.05 -0.00 0.02 0.03 0.19 0.14 0.50 0.08 0.00 0.35 -0.01 0.02 -0.03 -0.02 -0.03 0.12 0.03 0.08 0.14 -0.27 -0.13 -0.42 -0.19 0.08 -0.26 0.14 -0.08 -0.00 -0.01 -0.05 0.10 0.06 -0.04 0.08 0.04 -0.03 0.09 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.06 -0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.02 0.59 -0.15 -0.07 0.29 0.54 0.15 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.01 -0.00 0.01 -0.12 0.24 -0.13 -0.02 -0.07 -0.30 -0.00 0.00 -0.00 -0.01 0.02 0.01 -0.02 -0.01 0.01 -0.00 0.00 0.00 0.03 0.08 -0.06 -0.10 0.04 -0.03 -0.04 -0.03 -0.01 -0.05 0.03 -0.02 0.02 0.00 0.02 -0.01 -0.02 0.02 -0.00 -0.05 -0.02 0.04 -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 -0.00 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 0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.06 -0.01 -0.01 0.03 0.06 0.02 -0.02 0.00 0.01 -0.01 0.01 -0.01 0.01 -0.00 0.00 -0.01 0.04 -0.02 0.00 -0.01 -0.04 0.02 -0.01 0.05 0.16 -0.19 0.01 0.23 0.10 -0.07 0.02 -0.03 -0.03 -0.04 -0.17 0.10 0.17 -0.08 0.05 -0.06 -0.04 0.01 -0.05 0.05 0.02 -0.32 -0.08 -0.34 0.10 0.31 -0.31 0.04 0.37 0.16 -0.31 0.02 0.27 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.03 0.03 -0.15 0.04 0.03 0.07 -0.01 -0.06 0.06 -0.05 -0.11 0.03 0.01 -0.07 0.14 0.06 0.09 0.04 0.05 0.03 0.15 -0.04 0.03 -0.18 0.16 0.17 0.27 -0.05 -0.25 0.24 0.14 -0.11 0.67 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.04 0.01 0.01 -0.02 -0.04 -0.01 -0.01 0.01 0.01 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.01 0.03 -0.02 -0.01 -0.01 -0.04 -0.00 -0.00 -0.00 0.06 -0.09 -0.01 0.08 0.04 -0.06 -0.00 0.01 0.01 0.01 0.04 -0.02 -0.04 0.02 -0.02 -0.10 -0.09 0.11 -0.10 0.11 0.06 0.01 0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.09 -0.04 0.07 -0.00 -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.03 0.01 0.01 0.01 0.00 -0.01 0.01 -0.01 -0.02 0.01 -0.00 -0.02 0.03 0.01 0.02 0.01 0.00 -0.00 0.02 -0.01 0.00 -0.03 0.02 0.02 0.04 -0.01 -0.05 0.04 0.02 -0.02 0.12 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.02 0.12 -0.03 -0.01 0.06 0.12 0.03 0.04 -0.01 -0.02 -0.00 0.00 -0.00 -0.05 0.00 0.03 0.05 -0.14 0.07 0.01 0.04 0.17 -0.00 0.00 0.00 -0.22 0.28 0.01 -0.29 -0.14 0.15 0.01 -0.02 -0.02 -0.02 -0.10 0.03 0.09 -0.04 0.04 0.33 0.27 -0.28 0.31 -0.32 -0.17 0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.02 0.21 0.09 -0.17 0.01 0.16 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.01 0.00 -0.02 0.01 0.00 -0.01 0.01 -0.02 0.14 -0.03 -0.03 0.07 0.13 0.04 -0.04 0.02 0.02 -0.02 0.03 -0.03 -0.02 0.00 0.02 0.07 -0.15 0.07 0.01 0.04 0.17 -0.01 0.00 -0.02 0.27 -0.33 0.00 0.36 0.18 -0.15 -0.01 0.02 0.02 -0.09 -0.30 0.19 0.31 -0.10 0.15 0.15 0.13 -0.14 0.14 -0.15 -0.10 0.12 0.04 0.13 -0.06 -0.11 0.13 -0.03 -0.17 -0.09 0.14 0.00 -0.13 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.05 -0.11 -0.01 0.03 0.14 -0.12 0.08 0.09 0.14 0.04 0.02 0.10 -0.16 -0.43 0.16 0.00 0.06 -0.10 -0.24 -0.37 -0.21 -0.04 -0.07 -0.00 -0.22 -0.34 -0.17 -0.16 -0.40 0.12 -0.05 -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 -0.01 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 -0.02 0.03 -0.02 0.00 -0.01 -0.04 -0.00 0.00 -0.00 0.02 -0.02 -0.00 0.02 0.01 -0.01 0.00 -0.00 -0.00 -0.01 -0.03 0.02 0.03 -0.01 0.01 -0.02 -0.01 0.01 -0.01 0.01 0.01 0.02 0.01 0.02 -0.01 -0.02 0.02 0.00 0.01 0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.01 -0.01 0.00 -0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 0.00 -0.01 0.01 -0.01 0.02 -0.04 0.01 0.01 -0.02 -0.04 -0.00 0.01 0.00 0.02 -0.02 0.03 -0.01 0.01 -0.00 -0.02 -0.07 0.17 -0.08 -0.01 -0.05 -0.20 -0.02 0.01 -0.05 -0.08 0.05 -0.07 -0.09 -0.03 -0.03 0.02 -0.03 -0.03 -0.07 -0.26 0.14 0.28 -0.14 0.06 -0.12 -0.10 0.12 -0.11 0.13 0.12 0.30 0.07 0.30 -0.09 -0.30 0.28 0.03 0.33 0.11 -0.28 0.03 0.19 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 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 -0.00 -0.01 -0.00 -0.00 0.00 -0.03 -0.01 -0.00 0.00 -0.00 -0.00 -0.03 0.02 -0.06 0.22 -0.05 -0.03 0.10 0.20 0.05 0.01 -0.00 0.00 0.00 0.00 0.01 0.05 0.00 -0.02 0.23 -0.44 0.21 0.02 0.14 0.54 -0.01 0.01 -0.01 -0.04 0.04 -0.01 -0.05 -0.02 -0.00 0.01 -0.01 -0.01 0.03 0.03 -0.08 -0.06 0.00 -0.06 -0.24 -0.19 0.14 -0.22 0.22 0.07 0.06 0.01 0.05 -0.01 -0.06 0.05 0.02 0.11 0.05 -0.09 0.01 0.07 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.00 -0.00 0.00 0.05 -0.01 -0.00 0.02 0.04 0.02 0.04 -0.01 -0.01 -0.03 0.04 -0.03 0.02 -0.00 -0.02 0.02 0.01 -0.00 0.01 -0.00 -0.01 0.01 -0.01 0.03 -0.22 0.25 -0.03 -0.27 -0.14 0.11 -0.02 0.02 0.03 -0.12 -0.35 0.24 0.40 -0.16 0.13 -0.12 -0.10 0.11 -0.11 0.13 0.10 -0.16 -0.04 -0.15 0.06 0.15 -0.15 -0.04 -0.28 -0.12 0.24 -0.01 -0.21 -0.00 0.01 0.01 0.00 0.00 -0.00 0.05 0.10 0.01 -0.10 -0.23 0.03 -0.12 -0.22 -0.06 0.17 0.27 0.13 0.01 0.13 -0.17 0.12 0.31 -0.10 0.08 0.07 0.19 -0.09 -0.16 -0.01 -0.23 -0.28 -0.30 -0.11 -0.38 0.26 -0.10 -0.20 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 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 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.08 -0.06 0.38 0.01 0.14 -0.22 -0.10 -0.06 -0.24 0.09 0.05 0.21 -0.13 -0.24 -0.04 -0.00 -0.12 0.20 0.12 0.25 -0.01 -0.08 0.06 -0.37 -0.10 -0.23 0.03 0.12 0.21 0.06 0.08 -0.07 0.40 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 -0.02 -0.08 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.48 0.19 0.85 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.01 -0.00 0.00 0.00 -0.00 0.02 -0.04 0.04 0.02 0.13 0.05 0.34 -0.19 -0.04 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.01 -0.01 0.04 -0.18 -0.33 -0.26 0.67 -0.11 0.00 0.00 -0.00 0.04 0.04 -0.03 0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.04 -0.00 0.01 -0.03 -0.05 0.03 -0.06 0.11 0.01 -0.19 -0.27 0.10 -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 -0.02 -0.01 -0.05 0.03 0.01 0.01 0.00 -0.01 -0.01 -0.05 0.04 0.02 0.01 -0.01 0.00 -0.00 -0.01 0.01 -0.02 0.00 -0.00 -0.00 0.00 -0.11 -0.10 0.06 -0.02 0.05 -0.00 0.00 0.01 0.00 -0.30 0.00 -0.07 0.45 0.60 -0.43 -0.07 0.13 0.02 -0.16 -0.23 0.08 0.01 0.01 -0.01 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.03 -0.10 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -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 0.01 0.03 0.14 0.06 0.31 -0.18 -0.04 0.02 0.01 -0.01 -0.00 -0.01 0.01 -0.05 -0.02 0.02 0.00 -0.03 -0.06 -0.07 0.17 -0.03 -0.00 -0.00 0.00 -0.25 -0.23 0.15 -0.04 0.11 -0.00 0.00 0.00 0.00 -0.07 0.00 -0.02 0.11 0.15 -0.11 0.19 -0.32 -0.05 0.37 0.52 -0.19 0.01 0.02 -0.01 0.01 0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 0.09 0.03 0.18 -0.10 -0.02 -0.06 -0.02 0.03 -0.00 -0.02 0.01 -0.02 -0.01 0.01 -0.01 0.01 0.03 0.01 -0.03 0.01 0.01 0.00 -0.00 0.58 0.53 -0.33 0.08 -0.25 0.00 0.00 0.00 0.00 -0.09 0.00 -0.02 0.13 0.18 -0.12 0.06 -0.10 -0.02 0.13 0.18 -0.07 -0.03 -0.05 0.03 -0.03 -0.01 -0.02 0.02 0.00 -0.01 -0.02 -0.05 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 0.00 -0.01 0.03 -0.03 0.06 0.30 0.12 0.61 -0.35 -0.08 0.01 0.00 -0.00 0.00 0.00 -0.00 0.02 0.00 -0.01 -0.03 0.12 0.21 0.17 -0.43 0.07 -0.00 -0.00 0.00 -0.08 -0.07 0.04 -0.01 0.03 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.00 -0.04 -0.05 0.04 -0.09 0.16 0.02 -0.14 -0.19 0.07 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 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -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 0.05 0.02 0.02 -0.01 0.01 -0.02 0.00 0.01 -0.03 -0.02 -0.02 -0.00 -0.00 0.03 0.04 -0.03 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.25 0.45 -0.29 -0.43 -0.22 -0.30 -0.29 -0.07 0.17 0.14 0.41 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 -0.00 -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 -0.01 0.02 -0.04 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.02 -0.05 -0.03 -0.02 -0.00 -0.01 0.05 0.07 -0.05 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.19 -0.34 0.22 0.26 0.13 0.18 -0.39 -0.09 0.23 0.22 0.62 0.15 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.03 0.01 0.00 0.00 0.00 0.02 -0.06 -0.06 -0.08 -0.34 -0.14 0.13 -0.07 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.00 -0.08 0.36 0.71 -0.13 0.34 -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 0.02 -0.00 0.01 0.01 0.01 -0.01 0.10 -0.16 -0.02 -0.07 -0.10 0.04 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.07 -0.03 0.00 0.00 0.00 0.01 -0.02 -0.02 0.18 0.72 0.30 -0.30 0.16 0.03 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.04 -0.00 -0.03 0.12 0.24 -0.05 0.12 -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 0.02 0.00 0.01 0.00 0.00 -0.00 0.18 -0.28 -0.04 -0.11 -0.15 0.05 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.01 -0.00 -0.00 0.00 0.01 -0.03 -0.02 0.05 0.22 0.09 -0.11 0.06 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.08 0.00 -0.03 0.12 0.25 -0.08 0.20 -0.04 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.02 -0.00 0.00 0.00 -0.00 0.02 -0.00 0.01 0.01 0.01 -0.01 -0.42 0.66 0.10 0.23 0.31 -0.11 0.01 0.01 -0.01 0.02 0.01 0.01 -0.03 -0.01 0.01 -0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.02 -0.01 0.02 -0.00 0.05 0.05 0.01 -0.03 -0.03 0.02 -0.02 0.04 -0.00 -0.05 -0.04 0.02 -0.19 0.01 -0.05 -0.02 -0.02 0.02 -0.02 0.03 0.00 0.01 0.01 -0.00 -0.19 -0.35 0.24 -0.41 -0.20 -0.30 0.47 0.10 -0.28 0.11 0.32 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 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.04 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.02 0.00 0.05 0.04 0.00 -0.02 -0.02 0.02 -0.02 0.05 0.00 0.04 0.03 -0.01 0.46 -0.02 0.12 0.06 0.09 -0.06 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.17 -0.33 0.22 -0.36 -0.17 -0.26 -0.37 -0.08 0.23 -0.11 -0.33 -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 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.08 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.02 0.00 -0.01 -0.01 0.00 0.01 0.01 -0.00 0.01 -0.03 -0.00 -0.04 -0.03 0.01 0.76 -0.03 0.20 0.15 0.21 -0.15 0.00 -0.00 0.00 0.00 0.00 -0.00 0.06 0.11 -0.08 0.11 0.05 0.08 0.34 0.07 -0.21 0.08 0.26 0.06 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.03 0.00 0.01 -0.01 0.00 0.03 -0.05 -0.16 -0.12 -0.34 0.01 0.01 0.03 -0.01 -0.10 0.14 -0.02 -0.03 -0.00 -0.04 -0.40 0.54 -0.16 -0.12 -0.35 0.20 0.39 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.03 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.02 0.03 0.01 0.01 0.03 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.09 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.19 0.17 -0.11 -0.34 0.89 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 0.02 0.04 -0.03 0.02 0.01 0.02 0.01 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.03 -0.00 -0.02 0.03 0.00 0.02 -0.03 -0.17 -0.13 -0.36 -0.02 -0.02 -0.05 0.03 0.23 -0.33 0.01 0.01 0.00 -0.02 -0.23 0.31 0.27 0.21 0.59 -0.09 -0.16 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.02 -0.05 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.02 -0.06 -0.00 -0.01 0.02 0.00 0.02 -0.02 0.30 0.23 0.65 -0.01 -0.00 -0.02 0.02 0.17 -0.23 -0.02 -0.03 0.00 -0.02 -0.21 0.29 0.08 0.06 0.17 0.19 0.37 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 -0.01 -0.01 -0.02 0.01 0.04 -0.05 0.00 0.02 -0.03 0.10 0.08 0.21 -0.01 -0.01 -0.02 -0.05 -0.45 0.62 0.02 0.03 0.00 -0.02 -0.21 0.29 0.12 0.09 0.25 -0.17 -0.32 -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 0.01 0.01 0.01 0.00 0.02 -0.03 -0.00 -0.02 0.03 -0.08 -0.06 -0.16 -0.02 -0.01 -0.04 -0.03 -0.22 0.29 -0.03 -0.06 -0.00 0.02 0.21 -0.29 0.19 0.15 0.42 0.31 0.60 0.04 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 6 6 6 6 1 6 1 6 1 1 1 5 6 7 6 1 1 6 6 6 1 1 6 1 1 6 1 1 1 1 1 1 1 1 1 53 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 6 6 6 6 1 6 1 6 1 1 1 5 6 7 6 1 1 6 6 6 1 1 6 1 1 6 1 1 1 1 1 1 1 1 1 53 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 1.00783 1.00783 11.00931 12.00000 14.00307 12.00000 1.00783 1.00783 12.00000 12.00000 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 126.90040 328.06928 4332.76809 5969.77286 7643.88168 0.99303 -0.11635 0.01906 0.11561 0.99264 0.03594 -0.0231 -0.03349 0.99917 asymmetric 1 0.01999 0.01451 0.01133 0.41653 0.30231 0.23610 819261.9 21.76 28.57 37.48 71.48 85.35 95.96 109.70 176.59 178.27 250.03 262.79 334.63 357.05 473.98 585.42 621.86 625.69 666.94 750.75 853.40 866.50 887.64 913.27 949.34 993.99 1026.75 1057.91 1104.70 1135.28 1212.80 1214.56 1238.48 1260.75 1317.11 1319.70 1346.76 1372.32 1413.00 1414.81 1434.30 1438.34 1449.44 1474.50 1489.48 1505.42 1519.93 1525.14 1535.11 1553.92 1562.88 1592.68 1627.76 1680.85 1683.37 1685.23 1739.91 1751.81 1784.47 1796.69 1808.99 1833.27 1846.40 1870.41 1890.00 1907.40 1928.75 1952.97 1954.13 1976.59 2001.26 2038.49 2091.98 2108.71 2119.73 2122.83 2130.31 2138.51 2139.94 2152.34 2168.44 2338.74 2416.64 3699.70 4410.90 4417.06 4420.64 4428.66 4434.48 4458.12 4468.17 4501.53 4527.21 4537.81 4542.24 4557.96 4571.24 4596.80 4600.58 4607.05 4620.65 4627.58 4639.27 0.312040 0.328527 0.329471 0.262055 -883.875561 -883.859075 -883.858130 -883.925546 206.154 61.026 141.888 0.000 0.000 1.377 0.889 2.981 43.259 0.889 2.981 33.647 204.376 55.064 63.605 1 0.593 1.986 7.189 2 0.593 1.986 6.648 3 0.593 1.985 6.110 4 0.595 1.978 4.830 5 0.597 1.974 4.480 6 0.598 1.970 4.249 7 0.599 1.965 3.985 8 0.610 1.930 3.057 9 0.610 1.929 3.039 10 0.627 1.875 2.394 11 0.630 1.863 2.301 12 0.653 1.791 1.859 13 0.662 1.766 1.744 14 0.712 1.617 1.263 15 0.772 1.455 0.938 16 0.793 1.400 0.851 17 0.795 1.394 0.843 18 0.821 1.331 0.756 19 0.877 1.202 0.606 20 0.951 1.046 0.462 21 0.961 1.027 0.446 22 0.977 0.996 0.421 0.980767e+23 22.991566 52.940037 0.417128e+08 7.620269 17.546319 0.200000e+01 0.301030 0.693147 0.233562e+09 8.368402 19.268958 0.503343e+07 6.701864 15.431613 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.6390 6.4131 -0.6397 6.9643 -123.1371 -115.7688 -113.0752 -2.3715 3.5433 0.6841 -5.8100 1.5582 4.2518 -2.3715 3.5433 0.6841 -53.1797 -49.8967 12.5663 -15.2072 0.0092 17.0011 -3.8802 -23.3182 9.3773 -7.2203 -3648.5985 -1854.7864 -1155.7241 171.1750 53.8740 87.7444 -30.8869 -16.3880 -22.4765 -884.8510 -754.3078 -505.5197 -21.5494 1.7111 34.3026 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) 0 2-A -884.1876012 0.762075 0. 0.750076 1.886E-9 2.241E-6 0.3120404 0.3285266 -883.8590746 -883.8581304 -883.925546 -4.3161349,3.0005717,1.3155632,0.1564773,-3.0283314,-1.1947986 C01 [X(C13H20B1I1N1)] -0.8313234 -1.4855641 -2.1469409 0.0325934 0.0353094 0.0311256 0.073274 -0.0530887 -0.0294731 0.0540438 -0.036989 -0.0368334 -0.1467876 0.0327127 -0.0271767 -0.0292906 0.0177638 -0.0398295 -0.0424201 -0.0505277 -0.1002825 -0.1390426 -0.0275001 0.0125821 -0.0377083 -0.1013606 -0.0526608 -0.0741321 -0.035638 0.0402003 -0.1289058 0.0602635 0.0291415 0.0840212 0.0199771 -0.0298432 0.0818499 -0.0249885 0.0799905 0.1370224 -0.0616382 0.0075536 -0.0682 0.0104646 0.0339486 0.0126682 0.039769 0.073752 -0.1079612 0.0801538 0.0185918 0.1171547 0.0633197 -0.0278198 0.0362229 -0.0281773 0.0331095 0.1562921 -0.0092841 -0.0311346 -0.0110163 0.0874232 0.0354828 -0.0205365 0.0275 -0.0011206 -0.1142292 0.0410077 0.0471152 0.0645428 -0.0660855 0.0927916 0.0670217 0.0909151 -0.0585663 0.1206845 -0.0149211 -0.0058367 -0.0241365 0.062187 0.0259952 -0.022287 0.0440961 -0.0638833 0.1035065 -0.04813 0.005078 -0.068939 -0.0412934 0.045245 -0.0033723 0.029482 0.0580186 0.1123106 -0.0475299 -0.0361703 -0.0636227 0.0192219 -0.0561531 -0.0507795 -0.0561405 0.0085686 0.6062143 0.0233529 -0.2315278 -0.0672431 0.6379017 0.3284866 -0.2438056 0.3624706 1.0711575 -0.1373042 -0.0996988 0.1325607 -0.1193066 -0.2200723 0.0505739 0.1276006 0.1007351 -0.2625979 -0.586254 -0.1164616 -0.0506558 -0.0739617 -0.7211998 -0.1082629 -0.0235141 -0.0785444 -0.5853269 0.032805 -0.027606 0.015313 0.0051404 0.0868103 0.0601051 -0.0430871 0.0198124 0.1059139 0.0641215 0.0157979 -0.0446923 -0.0339382 -0.0568355 -0.0711843 -0.0464724 -0.0489685 0.0368112 -0.1423964 0.0235212 0.045192 0.0596246 0.0769956 0.0038637 0.0968827 -0.0191827 -0.0440209 0.2466159 0.13622 -0.0111728 0.1198894 0.1932356 -0.0677181 -0.0379384 -0.1623362 0.0773719 0.1762182 -0.1130075 -0.055204 -0.0481272 0.3119391 0.1226144 -0.0037941 0.107133 0.1996934 0.1272378 0.017353 0.0738433 -0.0114215 0.294569 -0.1414933 0.0304047 -0.1198926 0.2378412 0.0347192 0.0446696 -0.0439745 0.0180085 -0.1024826 0.0900004 -0.0147238 0.0289419 0.0223426 -0.0210951 -0.0024866 0.0447898 0.031054 0.0218631 -0.0988045 0.0464771 -0.0369678 -0.1131453 0.0435932 0.0409046 -0.000724 0.0092989 0.0124863 0.0541927 -0.0013572 0.0274778 0.0562561 0.0135611 -0.0511382 -0.0537942 -0.0608344 -0.0062002 0.0189383 -0.1305548 0.0163564 -0.0530732 0.146212 0.0126298 0.0457964 0.029105 0.0175715 0.0112816 0.0450644 0.0390937 0.0496549 0.0492364 0.0123533 0.0371811 0.0263164 0.0523417 0.0283798 0.0436297 0.0456202 0.0356218 -0.0258476 -0.0265769 0.0438964 -0.0459829 0.0436543 0.0390032 0.0101894 0.0142231 0.0598694 0.0108763 -0.0032992 -0.1034012 0.0230722 -0.016712 -0.0158701 -0.0352494 -0.0239229 -0.0911366 0.0565354 0.0321603 0.0336449 0.0286505 -0.0056197 -0.0050554 0.0829578 -0.0052255 0.022315 -0.0110045 -0.0369187 -0.0806019 -0.0916395 -0.0118549 -0.0620993 -0.0915487 -0.008068 -0.0469992 0.0103119 0.0245503 -0.0244394 0.0166814 0.083249 -0.0370233 -0.0097919 0.001409 -0.0462244 -0.0261642 -0.0951669 0.0377971 -0.0778659 -0.0356153 0.0224757 0.0057728 -0.0163314 0.0561212 -0.0590584 0.0594356 -0.0245021 -0.0074955 0.0597005 0.016927 -0.0427886 0.0389916 0.0177933 0.0566781 -0.0603741 -0.0208901 0.0058808 -0.072927 -0.0640392 0.012426 -0.095442 -0.0193677 -0.2142801 0.1009425 0.0233725 0.1456154 -0.2873431 0.0010846 0.0383139 -0.0343852 -0.2107511 -0.4770149 0.0483997 0.1613233 0.0833995 -0.3739845 -0.1740603 0.1466278 -0.1522984 -0.6090737 161.1492531|11.2775077|170.8397794|-4.1698764|4.4416932|180.1874064 -0.000000620 0.000001198 0.000000285 -0.000000835 -0.000000271 0.000000092 0.000000175 -0.000001363 -0.000001416 -0.000000058 0.000000531 -0.000001575 0.000000923 -0.000000178 -0.000000997 -0.000002620 0.000000322 -0.000000003 -0.000001275 -0.000000899 -0.000001093 0.000000839 0.000000549 -0.000001643 0.000000498 0.000000737 -0.000000515 -0.000000259 -0.000000173 -0.000001805 0.000000151 0.000000205 -0.000001362 0.000005780 0.000004426 0.000001217 -0.000003774 -0.000001902 -0.000002066 -0.000009816 -0.000008655 -0.000001154 0.000003931 -0.000001746 0.000001391 0.000000890 -0.000000953 0.000002103 0.000000652 -0.000000327 0.000001569 0.000000955 0.000002343 -0.000006821 0.000001758 0.000001817 -0.000001237 0.000000363 0.000002762 -0.000000083 -0.000000271 0.000000303 0.000002230 0.000000164 0.000000797 0.000001084 -0.000000727 -0.000001194 0.000000180 -0.000000009 0.000000691 0.000000110 0.000007556 0.000002791 0.000003477 -0.000000060 -0.000000071 0.000001826 0.000000603 0.000000278 0.000000762 0.000001315 0.000000109 -0.000000027 -0.000000878 0.000000200 0.000000137 0.000001544 -0.000000111 -0.000000207 -0.000000771 0.000000588 0.000000023 -0.000000010 -0.000000273 -0.000000410 -0.000000135 -0.000001400 -0.000000841 -0.000000704 0.000000398 -0.000000263 -0.000000508 -0.000002270 0.000001321 -0.000004763 0.000000742 0.000005711 307.86126999999993 AuxInfo=1/0/N:23,26,15,13,18,19,20,12,36,14;8,4,6,2,3,1/E:(1,2)(5,6);(2,3)(4,5)/CRV:8.4,10.4;1.3,2.3,3.3,4.3,5.3,6.2/rA:36nC2C3C3C3HC3HC3HHHB4CN4CHHCCCHHCHHCHHHHHHHHHI/rB:s1;s1;s2;s2;s3;s3;s4s6;s4;s6;s8;;s12;s12;s13;s13;s13;s14;s14;s14s15;s15;s15;s18;s18;s18;s19s23;s19;s19;s20;s20;s23;s23;s26;s26;s12;s12;/rC:-1.9765,.8044,.3774;-2.0384,1.2174,-.9354;-2.3768,-.4259,.8502;-2.5613,.3029,-1.8606;-1.7001,2.2086,-1.2479;-2.8971,-1.324,-.0922;-2.2878,-.6998,1.9041;-2.9876,-.9583,-1.4375;-2.6383,.5819,-2.9148;-3.2329,-2.313,.2301;-3.3976,-1.6634,-2.1638;2.8587,-.099,-.5436;3.5467,1.0102,-1.5118;1.7472,-.7563,-1.5702;2.6179,1.1575,-2.7413;3.6761,1.9705,-.9949;4.5555,.6981,-1.8265;.5966,-1.4982,-.9931;2.4552,-1.8147,-2.3553;1.3367,.4022,-2.4034;2.383,2.2031,-2.9869;3.0771,.7239,-3.6443;1.2063,-2.8019,-.5033;-.1309,-1.6688,-1.8034;.1162,-.8956,-.2152;2.3403,-3.0915,-1.5109;3.4884,-1.5079,-2.5555;1.9309,-1.9208,-3.3188;.6692,1.0091,-1.7757;.7644,.0491,-3.2768;1.6116,-2.6608,.5083;.4553,-3.6016,-.4563;3.2836,-3.3059,-.993;2.1152,-3.9521,-2.156;3.5442,-.9864,-.0812;1.7865,.8714,1.2385; Gaussian 16 1-Jul-2025 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 102 C1[X(C13H20BIN)] 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 0 307.86126999999993 AuxInfo=1/0/N:23,26,15,13,18,19,20,12,36,14;8,4,6,2,3,1/E:(1,2)(5,6);(2,3)(4,5)/CRV:8.4,10.4;1.3,2.3,3.3,4.3,5.3,6.2/rA:36nC2C3C3C3HC3HC3HHHB4CN4CHHCCCHHCHHCHHHHHHHHHI/rB:s1;s1;s2;s2;s3;s3;s4s6;s4;s6;s8;;s12;s12;s13;s13;s13;s14;s14;s14s15;s15;s15;s18;s18;s18;s19s23;s19;s19;s20;s20;s23;s23;s26;s26;s12;s12;/rC:-1.9765,.8044,.3774;-2.0384,1.2174,-.9354;-2.3768,-.4259,.8502;-2.5613,.3029,-1.8606;-1.7001,2.2086,-1.2479;-2.8971,-1.324,-.0922;-2.2878,-.6998,1.9041;-2.9876,-.9583,-1.4375;-2.6383,.5819,-2.9148;-3.2329,-2.313,.2301;-3.3976,-1.6634,-2.1638;2.8587,-.0989,-.5436;3.5467,1.0102,-1.5118;1.7472,-.7563,-1.5702;2.6179,1.1575,-2.7413;3.6761,1.9705,-.9949;4.5555,.6981,-1.8265;.5966,-1.4982,-.9931;2.4552,-1.8147,-2.3553;1.3367,.4022,-2.4034;2.383,2.2031,-2.9869;3.0771,.7239,-3.6443;1.2063,-2.8019,-.5033;-.1309,-1.6688,-1.8034;.1162,-.8956,-.2152;2.3403,-3.0915,-1.5109;3.4884,-1.5079,-2.5555;1.9309,-1.9208,-3.3188;.6692,1.0091,-1.7757;.7644,.0491,-3.2768;1.6116,-2.6608,.5083;.4553,-3.6016,-.4563;3.2836,-3.3059,-.993;2.1152,-3.9521,-2.156;3.5442,-.9864,-.0812;1.7865,.8714,1.2385; chk=9N_PhI_add1.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 12 12 12 12 1 12 1 12 1 1 1 11 12 14 12 1 1 12 12 12 1 1 12 1 1 12 1 1 1 1 1 1 1 1 1 127 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 11.0093053 12.0000000 14.0030740 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 126.9004000 0 0 0 0 1 0 1 0 1 1 1 3 0 2 0 1 1 0 0 0 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 5 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 2.7500000 3.6000000 4.5500000 3.6000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 5830.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "9N_PhI_add1.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 899 A 795 A 795 1214 899 68 67 1328.0698087752 36 36 36 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 -0.0355981904 0.000000 1.377553 0.000000 1.377527 2.450134 0.000000 2.366836 1.402072 2.813031 0.000000 2.165549 1.092959 3.435188 2.179158 0.000000 2.366073 2.811970 1.401870 2.426250 3.904843 0.000000 2.165756 3.435160 1.092551 3.905455 4.328884 2.178493 0.000000 2.724546 2.426236 2.426883 1.396830 3.423801 1.397089 3.423815 0.000000 3.365391 2.163758 3.906278 1.093262 2.510901 3.415674 4.998716 2.162550 0.000000 3.364364 3.905010 2.163011 3.415355 4.997893 1.093052 2.509587 2.162480 4.315611 0.000000 3.816735 3.414023 3.414307 2.158125 4.325794 2.158123 4.325274 1.092197 2.486348 2.485942 0.000000 5.004349 5.086059 5.427762 5.592258 5.157916 5.902074 5.730550 5.976356 6.025260 6.527540 6.649446 0.000000 5.840972 5.618577 6.536803 6.158769 5.388419 6.999070 6.973837 6.824752 6.356583 7.748630 7.469764 1.625129 0.000000 4.482683 4.316127 4.793195 4.446325 4.558330 4.906779 5.324939 4.740927 4.778229 5.519568 5.257828 1.649701 2.522336 0.000000 5.564083 4.994576 6.352418 5.322659 4.688303 6.602371 7.006813 6.131688 5.290450 7.423312 6.669154 2.542999 1.547935 2.406737 0.000000 5.932456 5.764164 6.766436 6.514283 5.387410 7.407807 7.148611 7.292307 6.744296 8.220899 8.037982 2.270329 1.098253 3.389245 2.197911 0.000000 6.894546 6.674034 7.515642 7.127887 6.461345 7.914425 7.918475 7.732560 7.276568 8.599725 8.303177 2.271587 1.101841 3.172920 2.191412 1.756136 0.000000 3.714966 3.784300 3.659032 3.737511 4.368102 3.612179 4.165428 3.651717 4.299351 4.101798 4.165534 2.697694 3.907022 1.485758 3.767647 4.638501 4.603428 0.000000 5.828112 5.603734 5.962546 5.467583 5.888952 5.831768 6.471583 5.585618 5.656880 6.267887 5.857898 2.527689 3.143768 1.495983 3.001627 4.203516 3.317431 2.325982 0.000000 4.344083 3.769663 5.006115 3.936881 3.717537 5.123117 5.736318 4.634945 4.011754 5.931974 5.170853 2.454934 2.459439 1.484884 1.525205 3.149009 3.283468 2.479584 2.483580 0.000000 5.681514 4.972827 6.655128 5.415369 4.438029 6.978510 7.359693 6.421674 5.277021 7.891930 7.003070 3.390489 2.225518 3.342037 1.099383 2.386249 2.886360 4.567979 4.067780 2.162981 0.000000 6.458997 5.809452 7.160125 5.928840 5.546944 7.245881 7.848159 6.669319 5.763518 8.003102 7.057857 3.215447 2.202228 2.874296 1.101903 2.988650 2.343197 4.256742 2.914270 2.161596 1.761187 0.000000 4.889860 5.183505 4.507276 5.067189 5.840042 4.380732 4.735279 4.675431 5.660907 4.525803 5.024885 3.168291 4.585488 2.369627 4.762148 5.396037 5.021735 1.520203 2.442141 3.727361 5.709838 5.079050 0.000000 3.778735 3.566792 3.691951 3.130143 4.219600 3.270976 4.397379 2.966351 3.547932 3.764644 3.286571 3.604117 4.559269 2.101034 4.052586 5.328355 5.250231 1.102259 2.648317 2.608190 4.765672 4.405109 2.182247 0.000000 2.760552 3.102519 2.751520 3.363440 3.741875 3.046093 3.210790 3.336333 4.130133 3.663839 4.090661 2.874735 4.133021 2.124951 4.105486 4.636315 4.984321 1.094961 3.300820 2.821667 4.735245 4.811255 2.214709 1.783592 0.000000 6.113781 6.170122 5.910279 5.972449 6.669691 5.706802 6.229135 5.739532 6.344383 5.890482 5.948954 3.187420 4.275396 2.410037 4.432227 5.260617 4.400818 2.418093 1.534980 3.742914 5.496564 4.432942 1.544431 2.866446 3.383373 0.000000 6.619196 6.371623 6.868085 6.353094 6.514831 6.846695 7.342081 6.594743 6.483308 7.320112 6.898977 2.535642 2.726430 2.137218 2.810108 3.817065 2.556630 3.286974 1.096319 2.881270 3.896042 2.517040 3.330801 3.700156 4.150150 2.217434 0.000000 6.029537 5.593158 6.178246 5.220250 5.875705 5.837510 6.823942 5.353180 5.225314 6.277938 5.458323 3.446971 3.803489 2.108865 3.206428 4.856765 3.996731 2.714342 1.101975 2.566554 4.161790 2.900707 3.037784 2.571109 3.738418 2.192351 1.782989 0.000000 3.417175 2.842623 4.269957 3.307935 2.707602 4.582152 5.020444 4.166144 3.524151 5.503251 4.881795 2.745875 2.889578 2.078648 2.179876 3.251963 3.899030 2.627607 3.391079 1.098978 2.414509 3.061193 4.053451 2.794963 2.523620 4.435869 3.858909 3.543548 0.000000 4.629899 3.834426 5.208169 3.623673 3.854031 5.043254 6.059597 4.298302 3.463160 5.818643 4.636200 3.446539 3.432188 2.127718 2.224979 4.168517 4.110553 2.763684 2.679874 1.102275 2.709851 2.436969 4.001956 2.433862 3.268942 3.932561 3.219440 2.289723 1.784349 0.000000 4.989921 5.517875 4.584676 5.639901 6.145145 4.740913 4.582510 5.276092 6.347801 4.864944 5.764365 3.037234 4.615380 2.822320 5.113913 5.288717 5.039815 2.153137 3.102842 4.235009 6.038920 5.554069 1.098899 3.060165 2.423962 2.189473 3.773403 3.911003 4.424082 4.731643 0.000000 5.101105 5.447051 4.451119 5.130010 6.247437 4.069229 4.638555 4.450081 5.754690 3.966637 4.638725 4.248810 5.651496 3.317427 5.705007 6.458440 6.097214 2.175334 3.286116 4.538520 6.619209 5.978879 1.098021 2.427799 2.737722 2.219422 4.241491 3.632677 4.800467 4.623710 1.775509 0.000000 6.814736 6.984726 6.612989 6.923795 7.437168 6.552888 6.798919 6.710888 7.340086 6.704184 6.979077 3.266007 4.355101 3.032144 4.839581 5.290961 4.283006 3.238449 2.183033 4.419207 5.927473 4.828141 2.192963 3.872411 4.055428 1.097253 2.390845 3.026134 5.105498 4.776809 2.337840 2.893897 0.000000 6.766408 6.742827 6.453625 6.329474 7.303099 6.024086 6.815302 5.959649 6.612779 6.081277 5.969076 4.242586 5.204677 3.269830 5.167535 6.233930 5.261925 3.111271 2.173385 4.430265 6.216762 5.000527 2.209204 3.222234 4.135764 1.098860 2.831890 2.347832 5.181565 4.369284 3.003257 2.401511 1.770676 0.000000 5.821957 6.062289 6.019977 6.488906 6.250767 6.450156 6.167340 6.671131 6.979391 6.912719 7.279050 1.212933 2.456243 2.344996 3.539857 3.097686 2.627975 3.127603 2.653954 3.491950 4.468111 3.979772 2.989959 4.115568 3.431816 2.815040 2.529229 3.735945 3.888264 4.360168 2.624094 4.064564 2.505796 3.891249 0.000000 3.860837 4.413052 4.378054 5.369461 4.486291 5.341064 4.417254 5.770650 6.075554 6.029284 6.698986 2.294979 3.268272 3.246441 4.075747 3.125091 4.134146 3.465712 4.536271 3.699377 4.470200 5.052562 4.106528 4.402543 2.832978 4.854929 4.790805 5.346532 3.217505 4.701960 3.611140 4.965058 4.966935 5.907353 2.877960 0.000000 C13H20BIN(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 0 307.86126999999993 AuxInfo=1/0/N:23,26,15,13,18,19,20,12,36,14;8,4,6,2,3,1/E:(1,2)(5,6);(2,3)(4,5)/CRV:8.4,10.4;1.3,2.3,3.3,4.3,5.3,6.2/rA:36nC2C3C3C3HC3HC3HHHB4CN4CHHCCCHHCHHCHHHHHHHHHI/rB:s1;s1;s2;s2;s3;s3;s4s6;s4;s6;s8;;s12;s12;s13;s13;s13;s14;s14;s14s15;s15;s15;s18;s18;s18;s19s23;s19;s19;s20;s20;s23;s23;s26;s26;s12;s12;/rC:2.6674,-1.4307,-.4174;2.7103,-.6684,-1.5641;3.1933,-1.0712,.804;3.3522,.5747,-1.4717;2.2696,-1.0099,-2.5041;3.831,.1753,.873;3.1133,-1.7155,1.6827;3.9083,.9897,-.2595;3.4197,1.217,-2.3538;4.2689,.5081,1.8176;4.4103,1.9577,-.197;-2.0151,.267,.0678;-2.8027,.394,-1.3481;-.8153,1.3787,-.1468;-1.8704,1.1809,-2.3009;-3.05,-.5933,-1.7607;-3.7631,.9204,-1.2275;.3989,1.2889,.7047;-1.383,2.7086,.2365;-.5199,1.2745,-1.5983;-1.7493,.7037,-3.2839;-2.2588,2.1936,-2.495;-.0707,1.7682,2.0688;1.158,1.9634,.2759;.792,.2671,.6877;-1.1434,2.8318,1.7476;-2.4398,2.7641,-.0501;-.8299,3.4801,-.323;.0617,.3509,-1.7265;.1068,2.1248,-1.9133;-.5107,.927,2.6224;.7642,2.1621,2.6633;-2.0674,2.6427,2.3084;-.8094,3.8489,1.9956;-2.6062,.5162,1.0973;-1.0967,-1.8172,.3495; 0.4165331 0.3023132 0.2361027 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 53. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 896 896 896 896 896 MxSgAt= 36 MxSgA2= 36. 1 open 1 1 1 -884.519216370133 -884.666080190483 -0.146863820350 -884.818256836211 -0.152176645728 -884.818569527897 -0.000312691687 -884.818633268689 -0.000063740792 -884.818643521925 -0.000010253236 -884.818643961379 -0.000000439454 -884.818644065388 -0.000000104009 -884.818644123160 -0.000000057772 -884.818644162638 -0.000000039478 -884.818644185194 -0.000000022556 -884.818644192822 -0.000000007628 -884.818644193871 -0.000000001049 -884.818644194075 -0.000000000204 -884.818644194095 -0.000000000021 -884.818644194 15 0.7614 6.969971073915e+02 -4.647654579663e+03 1.737804617492e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1571228210 LenY= 1570419110 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. 0.7614 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 C C C C H C H C H H H B C N C H H C C C H H C H H C H H H H H H H H H I 13 13 13 13 1 13 1 13 1 1 1 11 13 14 13 1 1 13 13 13 1 1 13 1 1 13 1 1 1 1 1 1 1 1 1 127 0.36152 0.01152 0.01168 0.04390 0.01034 0.04406 0.01041 -0.00621 0.00285 0.00284 0.00118 -0.00013 0.00002 0.00017 0.00000 0.00002 0.00001 -0.00030 -0.00005 -0.00020 -0.00000 -0.00001 0.00001 0.00002 0.00002 -0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00015 0.00002 406.42157 12.95478 13.13242 49.35650 46.20436 49.53445 46.52027 -6.98422 12.72128 12.69003 5.27567 -0.19293 0.02225 0.05503 0.00258 0.08672 0.03423 -0.33537 -0.05764 -0.22567 -0.01220 -0.02573 0.01599 0.08208 0.10911 -0.01111 -0.00423 -0.00531 0.01024 0.05428 -0.01697 -0.00016 0.00112 0.00282 0.68105 0.01401 145.02132 4.62259 4.68597 17.61163 16.48687 17.67512 16.59959 -2.49214 4.53927 4.52812 1.88249 -0.06884 0.00794 0.01964 0.00092 0.03095 0.01221 -0.11967 -0.02057 -0.08053 -0.00435 -0.00918 0.00570 0.02929 0.03893 -0.00396 -0.00151 -0.00189 0.00365 0.01937 -0.00605 -0.00006 0.00040 0.00101 0.24302 0.00500 135.56764 4.32125 4.38050 16.46356 15.41212 16.52291 15.51749 -2.32969 4.24336 4.23294 1.75977 -0.06436 0.00742 0.01836 0.00086 0.02893 0.01142 -0.11187 -0.01923 -0.07528 -0.00407 -0.00858 0.00533 0.02738 0.03640 -0.00370 -0.00141 -0.00177 0.00342 0.01811 -0.00566 -0.00005 0.00037 0.00094 0.22717 0.00467 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 -0.120006 -0.084946 -0.064422 0.004592 -0.011530 0.007459 -0.009633 -0.034683 -0.005016 -0.002375 -0.002020 0.001399 0.001013 0.000954 0.000666 0.001199 0.000666 0.000318 0.000227 0.000773 0.000555 0.000331 -0.000115 -0.001455 0.000883 0.000042 0.000293 -0.000040 0.001622 -0.000067 0.000125 -0.000528 0.000138 -0.000116 0.000860 0.009344 0.677541 0.041641 0.003953 0.039406 -0.007915 0.035538 -0.011838 0.017945 0.002333 -0.001965 0.000809 0.000029 -0.000342 0.000564 -0.000126 -0.000657 -0.000240 0.001060 0.000417 0.000265 -0.000358 0.000036 0.000457 0.003210 0.002176 0.000343 0.000195 0.000648 0.000185 0.001060 -0.000195 0.000547 0.000101 0.000396 -0.000278 -0.005266 -0.557535 0.043305 0.060469 -0.043998 0.019445 -0.042996 0.021471 0.016739 0.002683 0.004340 0.001212 -0.001428 -0.000670 -0.001518 -0.000541 -0.000542 -0.000427 -0.001378 -0.000645 -0.001038 -0.000197 -0.000367 -0.000342 -0.001755 -0.003059 -0.000385 -0.000488 -0.000608 -0.001807 -0.000993 0.000070 -0.000020 -0.000239 -0.000279 -0.000582 -0.004078 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 0.583094 0.048527 0.063732 0.022363 -0.000881 0.024500 0.000623 0.035312 0.001698 0.003162 0.001683 -0.001506 -0.000804 -0.001931 -0.000937 -0.000420 -0.000498 -0.002802 -0.000928 -0.001734 -0.000730 -0.000676 -0.001171 -0.002282 -0.006297 -0.000728 -0.000696 -0.000824 -0.003621 -0.001632 -0.000967 -0.000769 -0.000538 -0.000502 -0.000791 0.000388 0.007117 0.011639 0.062799 -0.009112 0.004201 -0.004238 0.009127 0.017557 -0.001350 0.005315 0.000998 -0.000359 0.000360 -0.000389 0.000594 0.000530 0.000158 -0.001140 -0.000152 0.000783 0.000852 0.000350 -0.000841 -0.000417 -0.003978 -0.000365 -0.000067 -0.000036 0.002355 0.000582 -0.001138 -0.000604 -0.000341 -0.000220 -0.000552 -0.003796 0.094069 -0.073884 0.037375 0.004994 -0.011116 0.014164 0.000176 -0.007872 -0.007325 0.005032 -0.000472 0.000168 -0.000254 0.000015 -0.000454 -0.000144 -0.000091 0.001785 0.000141 -0.000897 -0.000513 -0.000307 0.001143 0.001100 0.004542 0.000452 0.000040 0.000033 -0.002167 -0.000924 0.001049 0.001250 0.000344 0.000364 0.000224 -0.000030 0.1974 -0.1648 0.9664 0.8632 -0.4379 -0.251 0.4646 0.8838 0.0559 -0.5721 -0.4179 0.99 -76.774 -56.077 132.851 -27.395 -20.01 47.405 -25.609 -18.705 44.314 1 C 13 0.8764 -0.4051 -0.2604 0.4629 0.5596 0.6875 0.1328 0.723 -0.6779 -0.1108 -0.009 0.1198 -14.873 -1.207 16.08 -5.307 -0.431 5.738 -4.961 -0.403 5.364 2 C 13 0.8806 -0.4129 -0.2326 0.2027 0.7718 -0.6028 0.4284 0.4836 0.7633 -0.1109 -0.0085 0.1194 -14.881 -1.141 16.022 -5.31 -0.407 5.717 -4.964 -0.381 5.344 3 C 13 0.2218 -0.1138 0.9684 0.871 -0.4233 -0.2492 0.4383 0.8988 0.0052 -0.0467 -0.0037 0.0503 -6.263 -0.492 6.755 -2.235 -0.176 2.41 -2.089 -0.164 2.253 4 C 13 0.7544 -0.5829 -0.3018 0.6455 0.7423 0.1798 0.1192 -0.3304 0.9363 -0.0125 -0.0114 0.0239 -6.685 -6.068 12.753 -2.385 -2.165 4.551 -2.23 -2.024 4.254 5 H 1 0.1722 -0.2162 0.961 0.8599 -0.4429 -0.2537 0.4805 0.8701 0.1096 -0.0469 -0.0039 0.0509 -6.299 -0.525 6.824 -2.248 -0.187 2.435 -2.101 -0.175 2.276 6 C 13 0.7607 -0.6173 -0.2009 0.5937 0.7867 -0.169 0.2624 0.0093 0.9649 -0.0125 -0.0114 0.024 -6.695 -6.086 12.781 -2.389 -2.172 4.561 -2.233 -2.03 4.263 7 H 1 0.8661 -0.4322 -0.251 0.198 -0.1644 0.9663 0.4589 0.8867 0.0568 -0.0574 0.0217 0.0357 -7.701 2.909 4.793 -2.748 1.038 1.71 -2.569 0.97 1.599 8 C 13 0.9082 -0.3744 -0.1868 0.3941 0.6155 0.6825 -0.1406 -0.6935 0.7066 -0.0054 -0.0047 0.0101 -2.902 -2.509 5.411 -1.035 -0.895 1.931 -0.968 -0.837 1.805 9 H 1 0.8724 -0.4135 -0.2608 0.2088 0.7975 -0.5661 0.442 0.4394 0.782 -0.0055 -0.0047 0.0102 -2.914 -2.513 5.427 -1.04 -0.897 1.937 -0.972 -0.838 1.81 10 H 1 0.8778 -0.4093 -0.2488 0.2529 -0.0451 0.9664 0.4068 0.9113 -0.0639 -0.0031 0.0015 0.0016 -1.648 0.798 0.85 -0.588 0.285 0.303 -0.55 0.266 0.284 11 H 1 0.1384 0.0281 0.99 0.5289 0.843 -0.0978 0.8373 -0.5372 -0.1018 -0.0015 -9.0E-4 0.0024 -0.252 -0.16 0.412 -0.09 -0.057 0.147 -0.084 -0.053 0.138 12 B 11 0.1174 0.6159 0.7791 0.4491 0.6668 -0.5948 0.8857 -0.4197 0.1983 -8.0E-4 -7.0E-4 0.0015 -0.11 -0.088 0.198 -0.039 -0.031 0.071 -0.037 -0.029 0.066 13 C 13 0.3514 0.2983 0.8874 0.5697 0.6841 -0.4555 0.7429 -0.6656 -0.0704 -0.0017 -0.0011 0.0027 -0.064 -0.041 0.105 -0.023 -0.015 0.037 -0.021 -0.014 0.035 14 N 14 0.0283 0.5666 0.8235 0.624 0.6336 -0.4574 0.7809 -0.5267 0.3356 -8.0E-4 -7.0E-4 0.0016 -0.112 -0.097 0.208 -0.04 -0.035 0.074 -0.037 -0.032 0.07 15 C 13 0.0953 0.9209 0.3779 -0.3236 -0.3303 0.8867 0.9414 -0.2068 0.2665 -8.0E-4 -7.0E-4 0.0014 -0.405 -0.364 0.769 -0.145 -0.13 0.275 -0.135 -0.121 0.257 16 H 1 0.2422 0.7502 0.6152 -0.3485 -0.5245 0.7768 0.9055 -0.4025 0.1344 -5.0E-4 -4.0E-4 9.0E-4 -0.253 -0.233 0.486 -0.09 -0.083 0.173 -0.085 -0.078 0.162 17 H 1 -0.37 -0.6392 0.6741 0.705 0.2793 0.6519 -0.605 0.7165 0.3473 -0.0024 -0.0018 0.0043 -0.328 -0.248 0.576 -0.117 -0.088 0.205 -0.109 -0.083 0.192 18 C 13 0.2821 0.1172 0.9522 0.6895 0.6654 -0.2861 -0.6671 0.7373 0.1069 -7.0E-4 -6.0E-4 0.0013 -0.09 -0.081 0.171 -0.032 -0.029 0.061 -0.03 -0.027 0.057 19 C 13 0.134 0.5488 0.8252 0.6894 0.5465 -0.4754 0.7119 -0.6326 0.3051 -0.0015 -0.0011 0.0026 -0.202 -0.153 0.355 -0.072 -0.055 0.127 -0.067 -0.051 0.119 20 C 13 0.0052 0.7634 0.646 0.6565 0.4847 -0.578 0.7543 -0.4271 0.4986 -8.0E-4 -7.0E-4 0.0015 -0.425 -0.391 0.817 -0.152 -0.14 0.291 -0.142 -0.131 0.272 21 H 1 0.1613 0.6086 0.7769 0.6569 0.5213 -0.5448 0.7365 -0.5982 0.3157 -5.0E-4 -5.0E-4 0.001 -0.285 -0.264 0.55 -0.102 -0.094 0.196 -0.095 -0.088 0.183 22 H 1 0.0456 -0.5559 0.83 0.845 0.4646 0.2647 -0.5328 0.6893 0.4909 -0.0012 -0.001 0.0022 -0.155 -0.137 0.292 -0.055 -0.049 0.104 -0.052 -0.046 0.097 23 C 13 0.9189 0.3882 -0.0696 0.1366 -0.1477 0.9796 -0.37 0.9097 0.1887 -0.0024 -0.002 0.0044 -1.274 -1.056 2.33 -0.455 -0.377 0.831 -0.425 -0.352 0.777 24 H 1 0.2066 -0.3579 0.9106 0.7645 0.6399 0.078 -0.6106 0.6801 0.4058 -0.0057 -0.0048 0.0105 -3.066 -2.557 5.623 -1.094 -0.913 2.007 -1.023 -0.853 1.876 25 H 1 0.1898 -0.3002 0.9348 0.7844 0.619 0.0395 -0.5905 0.7257 0.353 -6.0E-4 -6.0E-4 0.0012 -0.081 -0.074 0.155 -0.029 -0.026 0.055 -0.027 -0.025 0.052 26 C 13 0.2731 0.2202 0.9364 0.6256 0.6989 -0.3468 0.7308 -0.6805 -0.0531 -5.0E-4 -4.0E-4 9.0E-4 -0.266 -0.239 0.504 -0.095 -0.085 0.18 -0.089 -0.08 0.168 27 H 1 0.3604 0.2115 0.9085 0.7502 0.5131 -0.4171 -0.5544 0.8318 0.0263 -6.0E-4 -6.0E-4 0.0012 -0.328 -0.312 0.64 -0.117 -0.111 0.228 -0.109 -0.104 0.213 28 H 1 -0.0317 0.515 0.8566 0.7044 0.6195 -0.3464 0.7091 -0.5924 0.3824 -0.0032 -0.0027 0.0059 -1.705 -1.452 3.157 -0.609 -0.518 1.127 -0.569 -0.484 1.053 29 H 1 0.1973 0.4637 0.8638 0.811 0.4179 -0.4095 -0.5508 0.7813 -0.2936 -0.0014 -0.0012 0.0026 -0.724 -0.641 1.365 -0.258 -0.229 0.487 -0.241 -0.214 0.455 30 H 1 0.1368 -0.6758 0.7243 0.7881 0.5172 0.3337 -0.6001 0.5252 0.6034 -0.0011 -0.001 0.0021 -0.6 -0.529 1.129 -0.214 -0.189 0.403 -0.2 -0.176 0.376 31 H 1 -0.063 -0.6413 0.7647 0.9272 0.2459 0.2826 -0.3692 0.7268 0.5792 -0.001 -9.0E-4 0.0019 -0.543 -0.489 1.032 -0.194 -0.174 0.368 -0.181 -0.163 0.344 32 H 1 0.0859 -0.4642 0.8816 0.7492 0.6134 0.2499 0.6567 -0.639 -0.4005 -5.0E-4 -4.0E-4 9.0E-4 -0.242 -0.222 0.464 -0.086 -0.079 0.166 -0.081 -0.074 0.155 33 H 1 0.061 -0.3682 0.9277 0.8702 0.4748 0.1312 -0.4888 0.7994 0.3494 -4.0E-4 -4.0E-4 9.0E-4 -0.234 -0.226 0.46 -0.083 -0.081 0.164 -0.078 -0.075 0.153 34 H 1 0.428 0.2916 0.8555 0.2867 0.8539 -0.4344 0.8571 -0.4312 -0.2819 -8.0E-4 -7.0E-4 0.0014 -0.417 -0.351 0.768 -0.149 -0.125 0.274 -0.139 -0.117 0.256 35 H 1 PT9981.100S Tue Jul 1 09:50:34 2025 -14.51578 -10.34063 -10.32972 -10.32610 -10.32012 -10.30944 -10.30860 -10.30597 -10.30467 -10.30315 -10.30199 -10.29765 -10.28870 -10.24860 -6.89879 -6.84457 -4.91468 -4.90905 -4.90865 -1.94958 -1.94787 -1.94752 -1.94263 -1.94262 -1.09430 -0.97429 -0.92662 -0.86314 -0.86225 -0.85379 -0.84949 -0.78205 -0.74405 -0.72192 -0.71246 -0.69960 -0.69782 -0.67619 -0.63286 -0.61799 -0.60567 -0.57132 -0.56623 -0.55131 -0.55067 -0.53322 -0.52490 -0.52257 -0.50786 -0.49356 -0.48434 -0.48274 -0.46334 -0.45740 -0.44887 -0.44679 -0.44215 -0.42954 -0.42378 -0.41555 -0.40759 -0.37692 -0.34805 -0.34577 -0.33638 -0.33060 -0.29296 -0.29031 0.03882 0.04621 0.08440 0.10515 0.10998 0.11229 0.11922 0.13347 0.13741 0.14131 0.14723 0.15375 0.15990 0.16603 0.16943 0.17084 0.17612 0.18558 0.19037 0.19498 0.20098 0.20404 0.20561 0.21039 0.21510 0.21916 0.22707 0.23332 0.23485 0.24269 0.24466 0.25420 0.25784 0.26125 0.27368 0.27917 0.28074 0.28513 0.29029 0.29421 0.29714 0.30319 0.30756 0.31272 0.31884 0.31924 0.32646 0.33542 0.33920 0.34979 0.35146 0.35937 0.36634 0.36762 0.37371 0.37828 0.38253 0.39004 0.39791 0.40460 0.41071 0.41742 0.42397 0.42904 0.43627 0.44079 0.44363 0.45217 0.45261 0.45867 0.46112 0.46287 0.46366 0.47254 0.47306 0.47927 0.48433 0.48873 0.49062 0.49624 0.50006 0.50562 0.50594 0.50997 0.51515 0.52148 0.52534 0.53492 0.53711 0.53845 0.54117 0.54326 0.54971 0.55191 0.55588 0.55812 0.56161 0.56710 0.56918 0.57700 0.58219 0.58813 0.59319 0.59869 0.60702 0.61583 0.62162 0.63463 0.64482 0.65307 0.66194 0.66894 0.68457 0.69458 0.70824 0.71609 0.72896 0.73245 0.73751 0.73931 0.74683 0.74872 0.75189 0.75668 0.77385 0.78249 0.79609 0.80325 0.81233 0.81767 0.82668 0.83887 0.84567 0.84965 0.85218 0.86392 0.87384 0.88282 0.88498 0.89130 0.90450 0.91028 0.91475 0.91786 0.93142 0.93439 0.94321 0.95147 0.96342 0.97471 0.97933 0.99043 0.99674 1.00125 1.00858 1.01837 1.02630 1.03232 1.03874 1.03991 1.04288 1.05017 1.05646 1.06245 1.06765 1.07510 1.07847 1.08184 1.08569 1.09139 1.09914 1.10963 1.11552 1.12143 1.12619 1.13051 1.13382 1.14216 1.14709 1.15657 1.16424 1.16668 1.17370 1.18163 1.18450 1.18800 1.19716 1.20215 1.20474 1.21905 1.23128 1.23918 1.24020 1.24969 1.25480 1.25971 1.26644 1.27378 1.28124 1.28725 1.29257 1.29898 1.30737 1.31422 1.31788 1.32235 1.33031 1.33678 1.34320 1.35054 1.35373 1.36343 1.36623 1.37440 1.37502 1.38162 1.38870 1.40187 1.40664 1.41075 1.42081 1.42430 1.42741 1.42885 1.43512 1.44726 1.45356 1.45643 1.45933 1.46122 1.46770 1.47348 1.49092 1.49979 1.50611 1.51337 1.52517 1.53314 1.53782 1.54139 1.54836 1.55363 1.56182 1.56578 1.56697 1.57555 1.58445 1.58886 1.59339 1.60183 1.60705 1.61767 1.62607 1.62973 1.63389 1.64126 1.65025 1.66643 1.66881 1.67802 1.68097 1.68493 1.68940 1.70004 1.71426 1.71901 1.72362 1.73326 1.74562 1.74823 1.75887 1.76851 1.77551 1.78626 1.78800 1.79353 1.80523 1.81074 1.82061 1.83292 1.84112 1.84898 1.85643 1.86251 1.87077 1.88244 1.89089 1.91358 1.92352 1.93685 1.94528 1.95312 1.97644 1.98989 2.00518 2.00868 2.01499 2.02214 2.04508 2.06378 2.07606 2.09159 2.09458 2.11399 2.12438 2.13659 2.14554 2.16165 2.17315 2.19028 2.21111 2.21628 2.23037 2.25545 2.27539 2.29649 2.31054 2.32982 2.35007 2.35804 2.36284 2.36754 2.37887 2.39475 2.39594 2.40339 2.40772 2.43120 2.43862 2.45207 2.45798 2.46489 2.49097 2.49968 2.51352 2.53798 2.54142 2.55577 2.56496 2.57781 2.58946 2.61885 2.64701 2.65896 2.66190 2.67566 2.67932 2.68802 2.70830 2.71120 2.71603 2.72777 2.73495 2.74775 2.75902 2.76129 2.76708 2.76985 2.77735 2.79301 2.80212 2.80689 2.81673 2.81930 2.82900 2.83277 2.84269 2.85458 2.86041 2.86357 2.87122 2.88252 2.88745 2.89567 2.91062 2.92297 2.93494 2.93969 2.94107 2.94714 2.97032 2.98629 2.99217 3.01404 3.02065 3.03473 3.04378 3.05107 3.06357 3.07488 3.08755 3.09311 3.10439 3.10713 3.11170 3.11871 3.12135 3.12814 3.13303 3.14386 3.14497 3.15244 3.15520 3.16319 3.16605 3.17160 3.19064 3.19341 3.20020 3.20299 3.21150 3.21800 3.21978 3.22407 3.22946 3.23529 3.24383 3.25171 3.25217 3.25836 3.26889 3.26982 3.27667 3.27927 3.28812 3.28967 3.29509 3.29916 3.31350 3.31846 3.32587 3.32858 3.33525 3.34007 3.35576 3.36068 3.37152 3.37637 3.38164 3.38286 3.39072 3.39594 3.40498 3.41014 3.42582 3.43655 3.44147 3.44516 3.45434 3.46083 3.46238 3.47120 3.48046 3.49205 3.49225 3.50334 3.50580 3.51533 3.53075 3.53164 3.53732 3.54544 3.55017 3.56468 3.56730 3.57412 3.57666 3.58025 3.58881 3.60240 3.60648 3.61846 3.62432 3.62997 3.64143 3.65990 3.66127 3.66752 3.67178 3.68015 3.68533 3.69486 3.69849 3.71084 3.71379 3.71851 3.73116 3.74986 3.75995 3.76689 3.77316 3.78430 3.79216 3.79644 3.80918 3.81574 3.82048 3.82342 3.82554 3.83151 3.83722 3.84638 3.85334 3.85454 3.86947 3.87361 3.88402 3.89489 3.90083 3.91110 3.91312 3.91773 3.92400 3.93342 3.94181 3.95327 3.96002 3.96361 3.96606 3.98824 3.99374 4.00348 4.00694 4.01127 4.02858 4.04167 4.04813 4.06778 4.08662 4.09312 4.10224 4.11071 4.12719 4.13199 4.13596 4.14106 4.15977 4.16339 4.16590 4.17259 4.17804 4.18745 4.19125 4.19472 4.21258 4.22619 4.23314 4.23582 4.24379 4.25646 4.25921 4.26132 4.27726 4.28011 4.28895 4.29153 4.30182 4.31207 4.31911 4.32622 4.33464 4.34413 4.34737 4.35057 4.35442 4.36750 4.37520 4.37645 4.38886 4.39138 4.39975 4.40666 4.41442 4.41990 4.42572 4.43769 4.44211 4.45029 4.46772 4.48525 4.49325 4.49790 4.50632 4.51674 4.53714 4.54319 4.54424 4.56278 4.57142 4.57796 4.58807 4.59897 4.61416 4.62483 4.63840 4.65236 4.66403 4.67163 4.68773 4.68882 4.69778 4.71239 4.71639 4.72158 4.72734 4.74045 4.74630 4.75654 4.76431 4.76551 4.78761 4.79750 4.80293 4.80558 4.81555 4.82459 4.83362 4.84131 4.84606 4.85894 4.86157 4.89156 4.90028 4.90473 4.92614 4.93557 4.94755 4.95457 4.97312 4.98981 5.00007 5.01363 5.02673 5.04036 5.04148 5.04894 5.06801 5.07200 5.07817 5.09238 5.11510 5.12373 5.12550 5.12672 5.17748 5.20124 5.21937 5.22566 5.23582 5.23620 5.24671 5.26998 5.28036 5.31081 5.32122 5.32941 5.33668 5.34527 5.36672 5.38010 5.38424 5.39753 5.40370 5.42263 5.42418 5.42710 5.44670 5.45711 5.46910 5.48605 5.49057 5.51724 5.53490 5.54700 5.55478 5.56774 5.58904 5.61895 5.64866 5.65467 5.66430 5.68090 5.70029 5.70273 5.72927 5.74159 5.74625 5.75545 5.76461 5.78324 5.81108 5.82567 5.84214 5.85963 5.88212 5.92435 5.95271 5.98147 6.00565 6.00957 6.02940 6.06430 6.09729 6.16546 6.36117 6.41482 6.64784 15.35221 22.61766 22.97822 23.16655 23.25915 23.27893 23.28754 23.38816 23.55014 23.58699 23.60154 23.62982 23.71105 23.96987 33.10987 34.89403 34.94471 35.14126 43.13232 119.82840 -14.51578 -10.34063 -10.32973 -10.32612 -10.30822 -10.30737 -10.30675 -10.30602 -10.30484 -10.30315 -10.30259 -10.29765 -10.28870 -10.24860 -6.89872 -6.84457 -4.91464 -4.90894 -4.90862 -1.94953 -1.94780 -1.94749 -1.94255 -1.94254 -1.09430 -0.96594 -0.92662 -0.86313 -0.85871 -0.84950 -0.84131 -0.78202 -0.74379 -0.72169 -0.70817 -0.69958 -0.68467 -0.67617 -0.63283 -0.61041 -0.60549 -0.57131 -0.56623 -0.54329 -0.54269 -0.53319 -0.52284 -0.51967 -0.50779 -0.49312 -0.48056 -0.47075 -0.46306 -0.45643 -0.44884 -0.44202 -0.44156 -0.42951 -0.42377 -0.41551 -0.40747 -0.37687 -0.34661 -0.33914 -0.33497 -0.29448 -0.29056 -0.01641 0.03803 0.05763 0.08454 0.10491 0.10994 0.11260 0.11935 0.13387 0.13800 0.14129 0.14887 0.15387 0.15998 0.16642 0.16995 0.17139 0.17608 0.18571 0.19081 0.19498 0.20145 0.20550 0.20760 0.21164 0.21515 0.22102 0.22722 0.23385 0.23544 0.24479 0.24600 0.25448 0.25813 0.26117 0.27413 0.27944 0.28105 0.28533 0.29048 0.29411 0.29717 0.30403 0.30861 0.31446 0.31907 0.31955 0.32768 0.33620 0.34303 0.35064 0.35452 0.36168 0.36657 0.36876 0.37470 0.37900 0.38302 0.38865 0.40040 0.40697 0.41096 0.41800 0.42493 0.42921 0.43741 0.44182 0.44412 0.45233 0.45428 0.46059 0.46214 0.46310 0.46366 0.47277 0.47327 0.47981 0.48466 0.48925 0.49113 0.49658 0.50020 0.50608 0.50684 0.50952 0.51511 0.52202 0.52574 0.53506 0.53762 0.53839 0.54230 0.54368 0.54998 0.55495 0.55699 0.55830 0.56308 0.56768 0.56944 0.57761 0.58298 0.58883 0.59512 0.59922 0.60737 0.61730 0.62172 0.63715 0.64964 0.65387 0.66313 0.66946 0.68568 0.69513 0.70848 0.71766 0.72988 0.73286 0.73864 0.73960 0.74715 0.74895 0.75733 0.76339 0.77639 0.78484 0.79751 0.80350 0.81319 0.81839 0.82847 0.84007 0.84652 0.85026 0.85371 0.86778 0.87632 0.88321 0.88555 0.89300 0.90584 0.91200 0.91672 0.92071 0.93176 0.93635 0.94371 0.95214 0.96366 0.97521 0.97998 0.99197 0.99736 1.00167 1.00930 1.01861 1.02716 1.03364 1.03960 1.04136 1.04405 1.05109 1.05797 1.06301 1.06817 1.07567 1.07933 1.08212 1.08598 1.09181 1.09982 1.11117 1.11670 1.12199 1.13053 1.13192 1.13616 1.14280 1.14858 1.15728 1.16558 1.16759 1.17584 1.18356 1.18515 1.18982 1.19784 1.20277 1.20558 1.21967 1.23185 1.24057 1.24080 1.25067 1.25550 1.26041 1.26840 1.27449 1.28418 1.28887 1.29478 1.30115 1.30915 1.31727 1.31978 1.32383 1.33190 1.33918 1.34484 1.35225 1.35603 1.36699 1.36746 1.37518 1.37602 1.38313 1.38897 1.40228 1.40758 1.41173 1.42234 1.42805 1.42860 1.43123 1.43575 1.44776 1.45433 1.45712 1.45990 1.46230 1.46794 1.47454 1.49329 1.50037 1.50654 1.51495 1.52834 1.53490 1.53901 1.54243 1.54969 1.55552 1.56273 1.56728 1.56773 1.57578 1.58505 1.59016 1.59392 1.60371 1.60890 1.61897 1.62646 1.63024 1.63545 1.64141 1.65143 1.66854 1.67038 1.67933 1.68154 1.68554 1.69055 1.70066 1.71495 1.72082 1.72532 1.73562 1.74636 1.74971 1.75970 1.77003 1.77521 1.78671 1.78903 1.79506 1.80629 1.81201 1.82084 1.83307 1.84343 1.85055 1.85681 1.86407 1.87210 1.89076 1.89863 1.91409 1.92603 1.93720 1.94607 1.95324 1.97756 1.99116 2.00674 2.01220 2.01823 2.02468 2.04661 2.06612 2.07662 2.09241 2.09514 2.11417 2.12457 2.13750 2.14823 2.16252 2.17466 2.19040 2.21410 2.22000 2.23238 2.25673 2.27558 2.29704 2.31068 2.33055 2.35258 2.36152 2.36467 2.36877 2.38030 2.39725 2.39859 2.40421 2.40886 2.43174 2.44782 2.45587 2.45895 2.46549 2.49302 2.50202 2.51390 2.53823 2.54166 2.55602 2.57081 2.57930 2.59367 2.61980 2.64864 2.66022 2.67047 2.67858 2.68057 2.68868 2.70864 2.71190 2.71713 2.72890 2.73618 2.74831 2.76205 2.76514 2.76757 2.77307 2.77840 2.79735 2.80454 2.81119 2.81737 2.82364 2.83012 2.83433 2.84337 2.85543 2.86215 2.86575 2.87919 2.88351 2.88929 2.89616 2.91155 2.92378 2.93609 2.94037 2.94250 2.94841 2.97103 2.98758 2.99275 3.01693 3.02351 3.03862 3.04646 3.05610 3.06472 3.07642 3.08997 3.09436 3.10737 3.10877 3.11369 3.12130 3.12373 3.13069 3.13519 3.14510 3.14751 3.15602 3.15715 3.16446 3.16710 3.17328 3.19240 3.20130 3.20241 3.20559 3.21596 3.21977 3.22148 3.22631 3.23070 3.23801 3.24636 3.25293 3.25511 3.26002 3.26995 3.27334 3.27880 3.28189 3.29031 3.29102 3.29634 3.30092 3.31427 3.31944 3.32760 3.33364 3.34081 3.34454 3.36133 3.36244 3.37693 3.37935 3.38311 3.38673 3.39246 3.39882 3.41000 3.41333 3.42946 3.43922 3.44558 3.44693 3.45719 3.46123 3.46659 3.47297 3.49255 3.49404 3.50199 3.50664 3.51025 3.51629 3.53123 3.53419 3.54351 3.54729 3.55194 3.56697 3.57264 3.57499 3.58305 3.58516 3.58996 3.60518 3.60714 3.61961 3.62522 3.63214 3.64192 3.66011 3.66616 3.67115 3.67739 3.68572 3.68820 3.69830 3.70770 3.71257 3.71642 3.72089 3.73176 3.75060 3.76041 3.76707 3.77343 3.78549 3.79527 3.79767 3.81026 3.81633 3.82162 3.82415 3.82837 3.83393 3.84017 3.84793 3.85539 3.85605 3.87281 3.87490 3.88586 3.90112 3.90299 3.91183 3.91555 3.92006 3.92482 3.93695 3.94299 3.95367 3.96094 3.96468 3.96725 3.98848 3.99397 4.00355 4.00768 4.01171 4.02874 4.04245 4.04891 4.06790 4.08796 4.09531 4.10379 4.11082 4.12799 4.13211 4.13608 4.14328 4.16053 4.16499 4.16799 4.17285 4.17929 4.18796 4.19153 4.19559 4.21283 4.22692 4.23356 4.23628 4.24481 4.25757 4.26114 4.26667 4.27827 4.28133 4.29090 4.29494 4.30443 4.31294 4.31981 4.32652 4.33619 4.34513 4.35101 4.35251 4.35814 4.36961 4.37674 4.37784 4.39144 4.39474 4.40204 4.40911 4.41832 4.42653 4.43078 4.44037 4.44331 4.45065 4.46806 4.48530 4.49339 4.49855 4.50685 4.51697 4.53814 4.54437 4.54800 4.56318 4.57160 4.57850 4.58864 4.59931 4.61425 4.62509 4.64071 4.65388 4.66923 4.67267 4.68882 4.68900 4.69899 4.71344 4.71794 4.72602 4.73179 4.74130 4.74669 4.75853 4.76540 4.76649 4.78854 4.79841 4.80370 4.80614 4.81632 4.82486 4.83377 4.84742 4.85112 4.85918 4.86378 4.89176 4.90086 4.90484 4.92688 4.93582 4.94776 4.95623 4.97316 4.98983 5.00012 5.01384 5.02736 5.04170 5.04225 5.05534 5.06810 5.07259 5.07832 5.09245 5.11518 5.12513 5.12565 5.12728 5.17753 5.20139 5.22087 5.22659 5.23608 5.23792 5.24752 5.27001 5.28037 5.31088 5.32194 5.32942 5.33687 5.34572 5.36785 5.38188 5.38561 5.39971 5.40702 5.42268 5.42436 5.42742 5.45015 5.45726 5.46962 5.48811 5.49406 5.51734 5.53499 5.54757 5.55491 5.57214 5.58944 5.61900 5.64877 5.65957 5.66440 5.68165 5.70215 5.70420 5.72931 5.74163 5.74633 5.75686 5.76479 5.78329 5.81109 5.82570 5.84215 5.85965 5.88214 5.92437 5.95272 5.98173 6.00902 6.01149 6.02959 6.06647 6.09731 6.16960 6.36118 6.41483 6.65155 15.35222 22.63448 22.98427 23.16719 23.25884 23.27889 23.28866 23.38817 23.55014 23.58698 23.60154 23.62981 23.71104 23.97080 33.10987 34.89408 34.94484 35.14127 43.13238 119.82820 2-A. 2.5232 6.4184 -0.6189 6.9243 -123.5237 -116.8150 -113.4536 -2.2648 3.5825 0.7536 -5.5929 1.1157 4.4772 -2.2648 3.5825 0.7536 -55.1777 -47.1578 12.4888 -14.3759 1.0521 17.7729 -3.1956 -22.4846 9.2364 -7.4891 -3680.1437 -1879.9472 -1168.3272 172.5418 55.6173 87.0471 -30.2749 -16.3571 -20.4407 -892.0725 -760.0157 -510.9844 -21.8667 2.4175 34.1363 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) GINC-NODO01 CECILIA 2025-07-01T00:00:00.000 0 coments 0 2 Version=ES64L-G16RevC.02 State=2-A HF=-884.8186442 S2=0.761381 S2-1=0. S2A=0.750072 RMSD=4.443e-09 Dipole=-0.7852457,-1.488103,-2.1424909 Quadrupole=-4.1756763,3.0430765,1.1325997,0.2469125,-2.9518805,-1.417205 PG=C01 [X(C13H20B1I1N1)] 0 -1.9764678952 0.8044346446 0.3773571225 0 -2.0383661566 1.2173966175 -0.9353817479 0 -2.3768277641 -0.4259137678 0.8501521101 0 -2.5613480434 0.3028798628 -1.8605594517 0 -1.7001180099 2.2085849973 -1.2479406909 0 -2.897116874 -1.3240041654 -0.0921713914 0 -2.2878316312 -0.6997958741 1.9040664675 0 -2.9875591554 -0.9582708765 -1.4375026709 0 -2.6382903932 0.5819265245 -2.9148055224 0 -3.2328963538 -2.3130376204 0.2300507303 0 -3.397648868 -1.6633678245 -2.1638356523 0 2.8587460092 -0.0989500956 -0.5435711957 0 3.5467206503 1.0102051738 -1.5118226174 0 1.7472049638 -0.7562941388 -1.570162634 0 2.6178937472 1.1575125672 -2.7413283581 0 3.6760768025 1.9705146093 -0.9948780549 0 4.5554928493 0.6980908937 -1.8264913484 0 0.5965671554 -1.4982469097 -0.9930885732 0 2.455162137 -1.8147377599 -2.3553119813 0 1.3366680305 0.4022040486 -2.403362195 0 2.3830309728 2.2030641582 -2.9868967845 0 3.0771152366 0.7239121601 -3.6442661516 0 1.2062601382 -2.8018630296 -0.5033180703 0 -0.1309014665 -1.6687851504 -1.8034466789 0 0.1161932802 -0.8956352705 -0.2152450609 0 2.3403253378 -3.0914555025 -1.5109380026 0 3.4884459382 -1.5078795978 -2.5555048585 0 1.9308772533 -1.9207596363 -3.3187613065 0 0.6692152879 1.009060613 -1.7756808898 0 0.7644388903 0.0491366414 -3.2768075265 0 1.6116184104 -2.6607930072 0.5082961614 0 0.4553155526 -3.6015611161 -0.4562509901 0 3.2835836325 -3.3058680934 -0.9930046053 0 2.1152020851 -3.9520976433 -2.1560030719 0 3.5441900617 -0.9864319629 -0.081240519 0 1.7865207686 0.8714308109 1.2384568