Gaussian 16 GINC-BELVIS19 PAULAPLA Optimization triticonazole_Z CONF2 gas EM64L-G16RevC.01 14-Aug-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 42 42 84 84 612 (5D, 7F) 6-311+G(d,p) 120 120 C1[X(C17H20ClN3O)] C1[X(C17H20ClN3O)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 297.6543999999998 0 1 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-2609353/Gau-1922.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2609353/" chk=/home/paulapla/almacen/ADAMA/censo_results/triticonazole_Z/gas/CONF2/opt-b3 #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 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=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 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=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 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 Optimization triticonazole_Z CONF2 gas 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 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 2 2 3 3 3 4 5 5 6 6 6 6 7 7 8 8 8 9 9 10 10 11 11 12 12 12 13 13 13 14 14 15 15 16 17 17 18 18 19 20 20 21 21 22 7 35 4 11 16 19 16 19 7 8 12 13 9 11 10 23 24 10 14 25 26 27 28 29 30 31 32 33 34 15 36 17 18 37 20 38 21 39 40 22 41 22 42 1.7278 1.3936 0.9674 1.338 1.4418 1.3367 1.3138 1.3114 1.3451 1.553 1.5336 1.5325 1.5237 1.5266 1.5518 1.5319 1.0911 1.0943 1.5071 1.3338 1.093 1.0931 1.0894 1.0907 1.0908 1.0918 1.0885 1.0912 1.0915 1.0912 1.4641 1.0867 1.3957 1.3978 1.0788 1.3848 1.0799 1.3829 1.0833 1.0786 1.3852 1.0813 1.3858 1.0811 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 7 4 4 11 3 16 7 7 7 8 8 12 2 2 2 6 6 9 6 6 6 10 10 23 7 7 10 8 8 8 9 9 25 3 3 3 7 7 27 6 6 6 29 29 30 6 6 6 32 32 33 9 9 15 14 14 17 3 3 5 15 15 20 15 15 21 4 4 5 17 17 22 18 18 22 1 1 20 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 35 11 16 16 19 19 8 12 13 12 13 13 6 9 11 9 11 11 10 23 24 23 24 24 10 14 14 9 25 26 25 26 26 7 27 28 27 28 28 29 30 31 30 31 31 32 33 34 33 34 34 15 36 36 17 18 18 5 37 37 20 38 38 21 39 39 5 40 40 22 41 41 22 42 42 20 21 21 110.2128 120.2627 109.3196 129.977 102.9759 102.7478 102.0874 109.0424 114.3476 109.7389 112.7622 108.6619 110.0026 115.3746 109.8566 103.011 110.2834 108.0874 104.7697 111.9946 110.6998 112.5419 110.8283 106.1104 108.9595 122.4943 128.4785 104.9619 109.4249 113.3071 110.2623 112.8195 106.0932 111.9669 107.2968 107.8974 111.429 110.0858 107.9988 112.8537 109.5832 111.428 107.7674 107.1423 107.8702 110.1763 112.9372 111.1459 106.7395 107.3649 108.2274 128.618 117.5515 113.742 124.4528 117.9464 117.6001 110.3976 123.1767 126.4257 121.3337 120.3437 118.3024 121.7082 119.3276 118.9457 114.5459 121.8856 123.5657 119.623 120.2234 120.1526 119.2738 120.3882 120.338 119.7568 119.7933 120.4493 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 35 35 35 11 16 4 4 4 16 16 16 4 4 11 11 3 3 19 19 16 16 8 8 8 12 12 12 13 13 13 7 7 7 12 12 12 13 13 13 7 7 7 8 8 8 13 13 13 7 7 7 8 8 8 12 12 12 2 2 6 6 11 11 2 2 2 6 6 6 9 9 9 6 6 6 23 23 23 24 24 24 7 7 7 14 14 14 7 7 10 10 9 9 36 36 14 14 18 18 14 14 17 17 15 15 38 38 15 15 39 39 17 17 41 41 18 18 42 42 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 14 14 14 14 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 7 7 7 4 4 11 11 11 11 11 11 16 16 16 16 19 19 16 16 19 19 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 6 9 11 19 19 7 27 28 7 27 28 5 37 5 37 5 40 3 37 4 40 2 9 11 2 9 11 2 9 11 10 23 24 10 23 24 10 23 24 29 30 31 29 30 31 29 30 31 32 33 34 32 33 34 32 33 34 10 14 10 14 10 14 3 27 28 3 27 28 3 27 28 9 25 26 9 25 26 9 25 26 8 25 26 8 25 26 15 36 15 36 17 18 17 18 20 38 20 38 21 39 21 39 22 41 22 41 22 42 22 42 1 21 1 21 1 20 1 20 156.5649 -87.4699 34.9841 -173.9812 -0.8646 65.7863 -171.6516 -55.5058 -105.7263 16.8358 132.9815 1.2372 -178.7956 173.4736 -6.5591 0.2408 -179.1584 -1.0091 179.025 0.4728 179.8605 160.3665 36.8501 -78.3077 44.307 -79.2093 165.6329 -77.546 158.9377 43.7798 -39.6747 -161.9555 79.8446 75.8777 -46.4031 -164.6029 -162.8419 74.8773 -43.3225 50.3274 170.4212 -70.2708 -60.7239 59.3698 178.6778 175.5612 -64.345 54.963 174.6452 -66.0999 55.7602 -69.3065 49.9484 171.8085 52.5839 171.8388 -66.3011 -141.0507 41.7078 -21.1726 161.5859 95.5559 -81.6856 -64.8777 174.9426 55.1437 173.7096 53.5299 -66.269 61.7961 -58.3836 -178.1825 26.8039 -91.5131 150.3245 148.7274 30.4105 -87.7519 -92.6293 149.0538 30.8914 -3.1588 114.5905 -126.9911 173.8689 -68.3817 50.0367 172.7194 -3.6188 -3.9475 179.7143 30.3861 -149.3157 -153.1604 27.1378 -178.8812 2.7809 0.8216 -177.5163 178.4561 0.0402 -1.2665 -179.6824 0.1031 -179.5318 178.474 -1.161 0.7725 -179.2027 179.1943 -0.7809 179.6371 -0.6302 -0.7277 179.005 179.9328 0.2002 -0.092 -179.8246 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 634 A 612 A 969 634 1958.5473514957 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 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 NBasis= 612 RedAO= T EigKep= 1.16D-06 NBF= 612 NBsUse= 608 1.00D-06 EigRej= 9.88D-07 NBFU= 608 Berny optimization. local minimum Step number 15 out of a maximum of 251 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00079 0.00333 0.00417 0.00466 0.00603 0.00797 0.01102 0.01263 0.01413 0.01885 0.02125 0.02161 0.02177 0.02220 0.02237 0.02262 0.02280 0.02287 0.02288 0.02298 0.02618 0.02627 0.02758 0.02974 0.03258 0.03697 0.04433 0.04752 0.04958 0.05131 0.05204 0.05415 0.05437 0.05486 0.05651 0.05717 0.05867 0.05973 0.06317 0.07133 0.07202 0.07630 0.08466 0.09481 0.09811 0.10275 0.11215 0.12720 0.14980 0.15394 0.15746 0.15944 0.15997 0.15999 0.16000 0.16002 0.16003 0.16007 0.16009 0.16024 0.16050 0.16170 0.17291 0.17896 0.18640 0.20237 0.21966 0.22940 0.23278 0.23967 0.24518 0.24985 0.25105 0.25665 0.26610 0.27729 0.28419 0.28724 0.29309 0.29955 0.30295 0.30852 0.32442 0.33826 0.34377 0.34440 0.34513 0.34631 0.34675 0.34677 0.34684 0.34712 0.34760 0.34878 0.34989 0.35156 0.35508 0.35653 0.35851 0.35908 0.36135 0.36363 0.36603 0.38210 0.41024 0.42638 0.43368 0.44585 0.46974 0.47759 0.48149 0.48563 0.50405 0.51611 0.53948 0.54203 0.57732 0.60375 0.61395 0.66682 -4.46992994e-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 R39 R40 R41 R42 R43 R44 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 3.32487 2.67748 1.83416 2.57087 2.75030 2.54765 2.50500 2.50052 2.56556 2.95977 2.91812 2.91430 2.89539 2.90234 2.94802 2.91419 2.06405 2.06956 2.86212 2.53113 2.06850 2.06837 2.05888 2.05939 2.06406 2.06709 2.05994 2.06655 2.06637 2.06636 2.77295 2.05412 2.65633 2.65876 2.03860 2.62909 2.04093 2.62559 2.04935 2.03941 2.62895 2.04588 2.62969 2.04556 1.91002 2.09794 1.90462 2.27155 1.79423 1.79520 1.77980 1.89544 1.99487 1.92274 1.96967 1.89791 1.91338 2.00650 1.89704 1.80352 1.93591 1.90640 1.83329 1.95028 1.92416 1.96643 1.92912 1.86180 1.90117 2.12819 2.25323 1.83488 1.91623 1.97480 1.91807 1.96329 1.85716 1.95615 1.87184 1.87969 1.94360 1.90611 1.90470 1.95800 1.91201 1.92904 1.89186 1.87192 1.89956 1.91918 1.96596 1.93104 1.86921 1.88068 1.89481 2.26905 2.03101 1.98224 2.17707 2.05592 2.05020 1.92928 2.14529 2.20862 2.11808 2.10142 2.06341 2.12599 2.08044 2.07654 2.00123 2.12445 2.15749 2.08528 2.10408 2.09381 2.07821 2.10772 2.09725 2.08688 2.08783 2.10847 2.75490 -1.50619 0.63625 -3.02742 -0.01601 1.13060 -3.01433 -0.96633 -1.84984 0.28842 2.33641 0.02150 -3.12067 3.01578 -0.12638 0.00590 -3.12860 -0.01663 3.12556 0.00648 3.14083 2.77835 0.63112 -1.40975 0.74839 -1.39884 2.84348 -1.37384 2.76212 0.72125 -0.67830 -2.81572 1.40019 1.33173 -0.80569 -2.87296 -2.82651 1.31926 -0.74801 0.90310 3.00498 -1.18519 -1.03254 1.06934 -3.12083 3.08364 -1.09766 0.99535 3.04357 -1.15626 0.96813 -1.21620 0.86715 2.99153 0.92270 3.00606 -1.15275 -2.44802 0.72753 -0.36381 2.81174 1.69775 -1.40988 -1.13879 3.04744 0.94268 3.03959 0.94264 -1.16212 1.06292 -1.03403 -3.13879 0.46016 -1.60219 2.60917 2.58710 0.52475 -1.54707 -1.61500 2.60583 0.53401 -0.05354 2.00757 -2.20991 3.05092 -1.17116 0.89455 3.04810 -0.04479 -0.05210 3.13820 0.38361 -2.75499 -2.80559 0.33899 -3.13103 0.03628 0.00758 -3.10829 3.12229 0.00319 -0.01654 -3.13563 0.00529 -3.13181 3.12170 -0.01539 0.01234 -3.12914 3.13148 -0.01000 3.13561 -0.00987 -0.01046 3.12726 3.13892 0.00121 -0.00278 -3.14049 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 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 0.00002 -0.00001 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -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 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00002 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00002 0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00001 0.00002 -0.00003 -0.00001 -0.00001 0.00002 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00004 0.00002 0.00001 -0.00002 0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00002 0.00002 0.00001 0.00002 0.00002 0.00004 0.00004 0.00003 0.00003 0.00004 0.00003 -0.00002 -0.00001 -0.00002 -0.00001 -0.00002 0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00004 -0.00003 -0.00003 -0.00003 -0.00002 -0.00003 -0.00003 -0.00002 -0.00002 -0.00002 -0.00003 -0.00002 -0.00003 -0.00003 -0.00003 -0.00005 -0.00005 -0.00005 -0.00003 -0.00003 -0.00003 -0.00003 -0.00003 -0.00003 -0.00002 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00007 0.00009 0.00007 0.00008 0.00008 0.00010 0.00001 -0.00000 0.00002 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00006 0.00007 0.00007 0.00007 0.00007 0.00007 0.00006 0.00007 0.00007 -0.00008 -0.00009 -0.00010 -0.00010 -0.00011 -0.00012 -0.00002 -0.00002 0.00000 0.00000 0.00018 0.00019 0.00017 0.00019 0.00001 0.00002 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00002 -0.00000 -0.00000 0.00001 0.00001 -0.00002 -0.00001 0.00000 -0.00001 0.00000 -0.00002 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00002 -0.00002 0.00001 0.00001 -0.00000 0.00001 -0.00003 0.00003 -0.00003 0.00001 -0.00001 0.00002 0.00003 -0.00000 -0.00000 -0.00000 -0.00005 0.00002 -0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00002 -0.00002 0.00004 -0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00002 0.00003 -0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 0.00007 -0.00003 -0.00004 0.00004 -0.00003 -0.00001 -0.00002 0.00001 0.00000 0.00000 0.00001 -0.00002 0.00001 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00009 -0.00007 -0.00004 0.00003 0.00002 -0.00005 -0.00002 -0.00002 -0.00003 -0.00000 -0.00000 -0.00002 0.00002 -0.00004 -0.00000 -0.00001 -0.00001 0.00001 -0.00003 0.00000 -0.00000 0.00008 0.00007 0.00006 0.00007 0.00006 0.00005 0.00003 0.00002 0.00002 -0.00008 -0.00008 -0.00009 -0.00005 -0.00006 -0.00007 -0.00002 -0.00003 -0.00004 -0.00004 -0.00004 -0.00004 -0.00003 -0.00002 -0.00003 -0.00004 -0.00003 -0.00004 0.00008 0.00009 0.00008 0.00002 0.00003 0.00002 0.00005 0.00005 0.00004 -0.00006 -0.00003 -0.00003 -0.00000 -0.00008 -0.00005 0.00002 -0.00001 -0.00001 0.00002 -0.00002 -0.00001 0.00004 -0.00000 0.00000 0.00006 0.00006 0.00006 0.00006 0.00006 0.00006 0.00007 0.00008 0.00007 -0.00002 -0.00003 -0.00001 -0.00005 -0.00006 -0.00004 -0.00000 0.00001 0.00004 0.00005 0.00000 -0.00004 -0.00001 -0.00006 -0.00001 0.00001 0.00003 0.00006 0.00001 0.00002 -0.00003 -0.00002 -0.00001 -0.00000 -0.00003 -0.00003 0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00002 -0.00001 0.00001 -0.00000 0.00002 0.00000 0.00002 -0.00000 0.00002 -0.00002 -0.00000 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00002 -0.00001 0.00000 0.00001 0.00000 0.00001 0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00001 0.00001 0.00000 0.00001 -0.00002 0.00002 -0.00001 0.00001 -0.00001 0.00001 0.00002 -0.00001 -0.00000 -0.00000 -0.00003 0.00002 -0.00002 0.00000 -0.00001 0.00002 -0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00002 -0.00001 0.00001 0.00000 0.00001 0.00000 -0.00001 0.00003 -0.00001 0.00001 -0.00000 -0.00002 0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00001 0.00003 -0.00001 -0.00002 0.00002 -0.00001 -0.00000 -0.00001 0.00002 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00006 -0.00006 -0.00004 0.00005 0.00004 -0.00002 0.00002 0.00000 0.00001 0.00004 0.00002 -0.00003 0.00001 -0.00005 -0.00001 -0.00003 -0.00001 0.00002 -0.00003 0.00001 -0.00001 0.00004 0.00004 0.00003 0.00003 0.00004 0.00002 0.00000 0.00001 -0.00001 -0.00010 -0.00011 -0.00012 -0.00008 -0.00009 -0.00010 -0.00007 -0.00008 -0.00008 -0.00007 -0.00006 -0.00007 -0.00006 -0.00005 -0.00006 -0.00005 -0.00005 -0.00005 0.00008 0.00008 0.00007 0.00003 0.00003 0.00003 0.00004 0.00004 0.00004 0.00001 0.00006 0.00003 0.00008 0.00000 0.00005 0.00003 -0.00001 0.00001 0.00002 -0.00002 -0.00000 0.00003 -0.00001 0.00001 0.00012 0.00013 0.00013 0.00012 0.00013 0.00013 0.00014 0.00015 0.00014 -0.00009 -0.00012 -0.00010 -0.00015 -0.00017 -0.00016 -0.00002 -0.00000 0.00004 0.00006 0.00018 0.00015 0.00016 0.00013 -0.00000 0.00003 0.00003 0.00006 -0.00000 0.00002 -0.00003 -0.00001 -0.00000 0.00000 -0.00004 -0.00003 0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00002 -0.00001 -0.00002 -0.00000 0.00001 0.00000 0.00002 3.32488 2.67750 1.83416 2.57089 2.75028 2.54765 2.50499 2.50053 2.56557 2.95976 2.91812 2.91430 2.89538 2.90234 2.94799 2.91418 2.06405 2.06957 2.86213 2.53113 2.06851 2.06837 2.05888 2.05939 2.06406 2.06709 2.05994 2.06655 2.06637 2.06636 2.77295 2.05412 2.65633 2.65876 2.03860 2.62909 2.04092 2.62559 2.04935 2.03942 2.62895 2.04588 2.62969 2.04556 1.91002 2.09792 1.90463 2.27156 1.79423 1.79521 1.77977 1.89546 1.99487 1.92275 1.96965 1.89792 1.91341 2.00649 1.89704 1.80352 1.93588 1.90642 1.83327 1.95029 1.92415 1.96644 1.92912 1.86180 1.90116 2.12819 2.25324 1.83487 1.91622 1.97481 1.91807 1.96330 1.85716 1.95614 1.87187 1.87968 1.94361 1.90611 1.90468 1.95801 1.91202 1.92905 1.89186 1.87192 1.89955 1.91918 1.96596 1.93105 1.86921 1.88068 1.89481 2.26908 2.03100 1.98222 2.17708 2.05590 2.05020 1.92927 2.14531 2.20861 2.11808 2.10142 2.06340 2.12599 2.08044 2.07653 2.00122 2.12445 2.15749 2.08528 2.10408 2.09381 2.07822 2.10771 2.09725 2.08687 2.08783 2.10847 2.75484 -1.50625 0.63621 -3.02737 -0.01598 1.13058 -3.01431 -0.96633 -1.84984 0.28846 2.33644 0.02146 -3.12065 3.01573 -0.12639 0.00587 -3.12861 -0.01661 3.12553 0.00648 3.14082 2.77839 0.63116 -1.40972 0.74843 -1.39880 2.84351 -1.37383 2.76212 0.72125 -0.67840 -2.81583 1.40008 1.33164 -0.80579 -2.87306 -2.82658 1.31918 -0.74810 0.90303 3.00492 -1.18526 -1.03260 1.06929 -3.12088 3.08359 -1.09771 0.99530 3.04365 -1.15618 0.96820 -1.21617 0.86718 2.99156 0.92274 3.00610 -1.15271 -2.44801 0.72759 -0.36378 2.81182 1.69776 -1.40983 -1.13876 3.04743 0.94269 3.03961 0.94261 -1.16212 1.06295 -1.03405 -3.13879 0.46028 -1.60206 2.60930 2.58722 0.52488 -1.54694 -1.61487 2.60598 0.53415 -0.05363 2.00745 -2.21001 3.05077 -1.17133 0.89439 3.04807 -0.04479 -0.05206 3.13825 0.38379 -2.75484 -2.80543 0.33912 -3.13103 0.03631 0.00761 -3.10823 3.12229 0.00321 -0.01657 -3.13564 0.00528 -3.13181 3.12167 -0.01542 0.01235 -3.12913 3.13147 -0.01001 3.13561 -0.00988 -0.01046 3.12723 3.13892 0.00122 -0.00278 -3.14048 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000016 0.000003 0.000807 0.000155 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.464046e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 2 2 3 3 3 4 5 5 6 6 6 6 7 7 8 8 8 9 9 10 10 11 11 12 12 12 13 13 13 14 14 15 15 16 17 17 18 18 19 20 20 21 21 22 7 35 4 11 16 19 16 19 7 8 12 13 9 11 10 23 24 10 14 25 26 27 28 29 30 31 32 33 34 15 36 17 18 37 20 38 21 39 40 22 41 22 42 1.7594 1.4169 0.9706 1.3604 1.4554 1.3482 1.3256 1.3232 1.3576 1.5662 1.5442 1.5422 1.5322 1.5358 1.56 1.5421 1.0922 1.0952 1.5146 1.3394 1.0946 1.0945 1.0895 1.0898 1.0923 1.0939 1.0901 1.0936 1.0935 1.0935 1.4674 1.087 1.4057 1.407 1.0788 1.3913 1.08 1.3894 1.0845 1.0792 1.3912 1.0826 1.3916 1.0825 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 7 4 4 11 3 16 7 7 7 8 8 12 2 2 2 6 6 9 6 6 6 10 10 23 7 7 10 8 8 8 9 9 25 3 3 3 7 7 27 6 6 6 29 29 30 6 6 6 32 32 33 9 9 15 14 14 17 3 3 5 15 15 20 15 15 21 4 4 5 17 17 22 18 18 22 1 1 20 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 35 11 16 16 19 19 8 12 13 12 13 13 6 9 11 9 11 11 10 23 24 23 24 24 10 14 14 9 25 26 25 26 26 7 27 28 27 28 28 29 30 31 30 31 31 32 33 34 33 34 34 15 36 36 17 18 18 5 37 37 20 38 38 21 39 39 5 40 40 22 41 41 22 42 42 20 21 21 109.4358 120.2034 109.1265 130.1503 102.8018 102.8572 101.9748 108.6006 114.2978 110.1649 112.8536 108.7421 109.6288 114.964 108.6924 103.3342 110.9195 109.2286 105.0399 111.7429 110.2462 112.668 110.5306 106.6731 108.929 121.9363 129.1005 105.131 109.7918 113.1478 109.8972 112.4884 106.4073 112.079 107.2482 107.6985 111.36 109.2122 109.1313 112.1852 109.5504 110.526 108.3956 107.2534 108.8367 109.9609 112.6413 110.6404 107.098 107.7551 108.5648 130.007 116.368 113.5741 124.7366 117.7953 117.4678 110.5396 122.9158 126.5446 121.357 120.4024 118.2247 121.8105 119.2003 118.9769 114.6619 121.7218 123.615 119.4778 120.5551 119.9666 119.0729 120.7636 120.1635 119.5692 119.6238 120.8067 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 35 35 35 11 16 4 4 4 16 16 16 4 4 11 11 3 3 19 19 16 16 8 8 8 12 12 12 13 13 13 7 7 7 12 12 12 13 13 13 7 7 7 8 8 8 13 13 13 7 7 7 8 8 8 12 12 12 2 2 6 6 11 11 2 2 2 6 6 6 9 9 9 6 6 6 23 23 23 24 24 24 7 7 7 14 14 14 7 7 10 10 9 9 36 36 14 14 18 18 14 14 17 17 15 15 38 38 15 15 39 39 17 17 41 41 18 18 42 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 14 14 14 14 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 7 7 7 4 4 11 11 11 11 11 11 16 16 16 16 19 19 16 16 19 19 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 6 9 11 19 19 7 27 28 7 27 28 5 37 5 37 5 40 3 37 4 40 2 9 11 2 9 11 2 9 11 10 23 24 10 23 24 10 23 24 29 30 31 29 30 31 29 30 31 32 33 34 32 33 34 32 33 34 10 14 10 14 10 14 3 27 28 3 27 28 3 27 28 9 25 26 9 25 26 9 25 26 8 25 26 8 25 26 15 36 15 36 17 18 17 18 20 38 20 38 21 39 21 39 22 41 22 41 22 42 22 42 1 21 1 21 1 20 1 157.8442 -86.2986 36.4542 -173.4586 -0.9173 64.7784 -172.7082 -55.3668 -105.9882 16.5252 133.8666 1.2317 -178.801 172.7916 -7.2411 0.3382 -179.2556 -0.9527 179.0814 0.3711 179.9561 159.1876 36.1605 -80.7725 42.8797 -80.1474 162.9196 -78.7151 158.2578 41.3248 -38.8639 -161.329 80.2251 76.3023 -46.1628 -164.6087 -161.9471 75.5878 -42.858 51.7439 172.1728 -67.9063 -59.16 61.2688 -178.8103 176.6798 -62.8913 57.0296 174.3839 -66.2486 55.4695 -69.6833 49.6842 171.4023 52.867 172.2345 -66.0474 -140.2611 41.6846 -20.8447 161.101 97.2741 -80.7802 -65.2479 174.6054 54.0117 174.1558 54.0091 -66.5846 60.9009 -59.2458 -179.8395 26.3654 -91.7985 149.4946 148.23 30.066 -88.6408 -92.5329 149.3032 30.5963 -3.0676 115.0252 -126.6185 174.8046 -67.1026 51.2537 174.6431 -2.5663 -2.9851 179.8055 21.9793 -157.8494 -160.7486 19.4227 -179.3948 2.0789 0.4345 -178.0919 178.8938 0.1829 -0.9475 -179.6584 0.303 -179.4393 178.8604 -0.8819 0.707 -179.2865 179.4207 -0.5728 179.657 -0.5652 -0.5991 179.1786 179.847 0.0694 -0.1595 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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-D3 -0.0529212390 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 8.922580 0.000000 8.267440 2.931630 0.000000 8.679554 2.859246 1.338022 0.000000 7.455505 4.679405 2.174487 2.236838 0.000000 9.213778 2.415505 3.833547 4.506498 5.847861 0.000000 8.389351 1.393637 2.482068 3.051880 4.405480 1.552992 0.000000 8.526555 3.631764 4.239039 5.216165 6.025478 1.533626 2.400265 0.000000 6.923408 2.469072 2.939289 3.634565 4.296163 2.410380 1.526635 2.410454 0.000000 7.019596 3.638600 4.049654 4.974851 5.427570 2.428281 2.469245 1.531889 1.507139 0.000000 8.802164 2.412352 1.441784 2.411116 3.581726 2.547688 1.551794 3.049756 2.491925 3.294724 0.000000 9.433974 2.738205 4.988631 5.405448 6.877889 1.532487 2.512627 2.507600 3.041105 3.032195 3.874975 0.000000 10.639046 3.149941 4.326531 4.946653 6.487212 1.523668 2.585424 2.545933 3.790524 3.803144 2.919161 2.482822 0.000000 5.985127 2.967163 3.056445 3.465153 3.743115 3.675359 2.509502 3.717607 1.333841 2.559742 3.222914 4.109530 5.011633 0.000000 4.523096 4.413131 4.174911 4.606735 4.248524 4.911644 3.911498 4.619080 2.521973 3.186597 4.504736 5.246847 6.311731 1.464089 0.000000 7.508783 4.095251 1.336696 2.181853 1.311386 4.803066 3.495706 4.848962 3.431527 4.388850 2.518315 5.976855 5.419570 3.237959 3.930956 0.000000 3.984832 5.296359 5.325812 5.893881 5.536059 5.299240 4.657251 4.713228 3.140980 3.181769 5.405671 5.457671 6.774648 2.530542 1.395714 5.083787 0.000000 3.981254 5.241634 4.496471 4.733823 3.859690 6.083015 4.890400 5.858745 3.679165 4.484519 5.205414 6.502010 7.393796 2.452645 1.397775 3.951303 2.389452 0.000000 8.187062 4.001568 2.075032 1.313783 1.345068 5.630215 4.121004 6.144495 4.329041 5.667129 3.453784 6.514933 6.180884 3.804302 4.602359 2.075424 5.968353 4.336491 0.000000 2.698088 6.642669 6.453525 7.000034 6.312663 6.658816 6.018168 5.966033 4.500538 4.444515 6.664203 6.800129 8.124693 3.792084 2.424022 6.006526 1.384803 2.764048 6.882077 0.000000 2.699135 6.599392 5.780922 6.047903 4.895897 7.300814 6.200651 6.910390 4.893477 5.458223 6.499110 7.669423 8.649053 3.741550 2.428584 5.073744 2.772025 1.382878 5.515835 2.405182 0.000000 1.727800 7.197616 6.639292 7.059159 6.035067 7.541051 6.672289 6.948368 5.218451 5.433481 7.128896 7.790735 8.964539 4.257600 2.795309 5.994363 2.394299 2.388961 6.684301 1.385171 1.385842 0.000000 9.011791 4.473515 5.326548 6.282331 7.105155 2.189961 3.375277 1.091108 3.334085 2.195162 4.100336 2.672519 2.943778 4.602278 5.370176 5.923050 5.223548 6.677052 7.228321 6.400192 7.638254 7.510662 0.000000 8.821948 4.135108 4.050446 5.190229 5.812422 2.176236 2.801548 1.094324 2.939289 2.176319 2.857921 3.452486 2.688706 4.173636 5.039228 4.543773 5.221536 6.146258 6.070084 6.401624 7.177231 7.280521 1.746631 0.000000 6.867236 4.094524 4.984178 5.772962 6.275609 2.927432 3.168662 2.157550 2.146417 1.093002 4.255139 2.977472 4.365410 2.954203 3.340166 5.336905 2.976818 4.727458 6.449781 4.186219 5.576807 5.347310 2.374754 3.022586 0.000000 6.461773 4.517349 4.285132 5.347352 5.359181 3.367772 3.277382 2.206074 2.178150 1.093142 3.725531 4.108464 4.598642 2.894363 3.120484 4.301652 2.956073 4.292143 5.851794 4.024896 5.091416 4.972249 2.760665 2.414681 1.747001 0.000000 8.702502 3.356540 2.049264 3.278667 3.900227 2.754117 2.197741 2.715126 2.732405 3.072035 1.089385 4.231190 3.078677 3.583606 4.658335 2.641873 5.386139 5.399368 4.113129 6.575546 6.582698 7.091677 3.727868 2.177506 4.134827 3.253391 0.000000 9.876936 2.644154 2.057922 2.657663 4.175186 2.836420 2.181829 3.625530 3.448018 4.185663 1.090747 4.126286 2.638408 4.205679 5.544803 3.244018 6.458966 6.211859 3.834014 7.736784 7.527657 8.198844 4.569003 3.373801 5.097290 4.692105 1.763751 0.000000 8.573403 2.890900 5.123214 5.496863 6.781246 2.199300 2.710522 2.792166 2.712811 2.743245 4.221830 1.090830 3.458228 3.570794 4.538207 5.971376 4.634670 5.826793 6.467265 5.942251 6.919791 6.961630 2.980956 3.843433 2.398270 3.813898 4.587779 4.687323 0.000000 10.025921 3.804349 5.909621 6.420149 7.837956 2.159179 3.460576 2.732701 3.891428 3.500148 4.690802 1.091769 2.747546 5.022887 6.043250 6.860257 6.057976 7.359531 7.540964 7.343003 8.455768 8.441290 2.448526 3.655320 3.294062 4.498320 4.875602 4.880671 1.763151 0.000000 10.100224 2.541052 5.190254 5.359758 7.094453 2.179944 2.848799 3.468162 3.665145 3.978420 4.158767 1.088494 2.697466 4.573308 5.812009 6.313026 6.176560 6.967649 6.529969 7.528350 8.194988 8.433131 3.700312 4.307212 3.961310 5.062649 4.725140 4.204601 1.753474 1.762417 0.000000 11.260821 4.057149 5.391701 6.032253 7.540189 2.158519 3.519898 2.870954 4.550342 4.277123 3.968474 2.657824 1.091202 5.825898 7.050227 6.438540 7.345323 8.218729 7.263547 8.672189 9.426182 9.620417 2.853762 3.076465 4.665491 5.067428 3.993239 3.704511 3.701601 2.470167 2.916518 0.000000 10.774392 3.694889 4.078402 4.861173 6.206478 2.193001 2.926498 2.764926 4.083260 4.054123 2.678139 3.458132 1.091511 5.279672 6.536337 5.069175 7.052589 7.526240 6.034183 8.358754 8.761644 9.124968 3.261860 2.453614 4.806086 4.639833 2.575559 2.282827 4.342757 3.713872 3.750590 1.751632 0.000000 11.159616 2.892362 4.396886 4.733689 6.553043 2.170688 2.821063 3.491191 4.236215 4.562077 3.139014 2.784413 1.091211 5.311242 6.708106 5.630818 7.312641 7.704817 6.032387 8.688226 9.021478 9.451917 3.943791 3.688955 5.087722 5.422342 3.599601 2.591837 3.767112 3.197734 2.554281 1.758472 1.768401 0.000000 8.897222 0.967412 2.471227 2.036663 4.009505 3.238575 1.951859 4.343480 2.879346 4.227468 2.422423 3.703880 3.834910 3.042678 4.453483 3.632576 5.529934 5.040256 3.163509 6.812900 6.419700 7.187451 5.272139 4.697035 4.775988 4.971142 3.476657 2.610044 3.801505 4.767671 3.467624 4.822360 4.194779 3.487350 0.000000 6.469023 2.675415 2.759399 2.750546 3.265241 4.079489 2.677237 4.449455 2.073841 3.505716 3.242255 4.487086 5.257884 1.086660 2.146041 3.062949 3.405791 2.620033 3.023540 4.546721 3.990389 4.773228 5.390905 4.859368 3.926740 3.910728 3.862687 4.085239 4.031922 5.505140 4.710442 6.166240 5.531416 5.344898 2.443194 0.000000 7.235113 4.726267 2.128111 3.210144 2.136277 4.935877 3.847619 4.649879 3.564750 4.174056 2.862784 6.195972 5.574902 3.514765 3.980366 1.078819 4.923530 4.076352 3.131910 5.754996 5.039528 5.796409 5.664433 4.194987 5.163935 3.842557 2.554037 3.670152 6.185380 6.970329 6.691346 6.510620 5.120546 5.974109 4.433651 3.651526 0.000000 4.819809 5.141253 5.562736 6.209101 6.146114 4.765632 4.428014 4.087284 2.956132 2.610004 5.357922 4.778265 6.260617 2.783660 2.153374 5.516169 1.079887 3.378126 6.493365 2.121763 3.851336 3.362576 4.427725 4.726182 2.113506 2.530591 5.292890 6.365345 3.933267 5.243578 5.586952 6.702005 6.621546 6.868496 5.557117 3.773013 5.323920 0.000000 4.828830 5.023539 4.002172 4.025532 3.044334 6.197152 4.832216 6.170154 3.890496 4.947415 4.952949 6.711168 7.383182 2.637688 2.147227 3.427799 3.374728 1.083284 3.435175 3.847247 2.129768 3.366443 7.089312 6.382645 5.337055 4.846263 5.275568 5.872616 6.142602 7.654276 7.050209 8.297683 7.464702 7.573316 4.630684 2.383538 3.779482 4.281787 0.000000 8.560827 4.620572 3.113972 2.094425 2.139399 6.499508 4.977863 7.115077 5.193970 6.596833 4.435296 7.254160 7.032171 4.532824 5.233241 3.117619 6.627110 4.786267 1.078649 7.461976 5.876407 7.135037 8.188065 7.101045 7.305607 6.818815 5.162199 4.711721 7.164585 8.312060 7.156419 8.113806 6.946352 6.768947 3.702910 3.613360 4.144663 7.216544 3.775875 0.000000 2.842594 7.402076 7.365165 7.974285 7.336554 7.169689 6.724288 6.349027 5.202293 4.880103 7.443497 7.207607 8.640733 4.670614 3.401474 6.950879 2.143412 3.845232 7.919711 1.081255 3.384547 2.142998 6.615764 6.817959 4.451686 4.421835 7.279753 8.509039 6.323076 7.614980 7.999595 9.078595 8.904266 9.273032 7.667293 5.497590 6.620374 2.441209 4.928451 8.524641 0.000000 2.847311 7.331486 6.287583 6.437385 5.050675 8.202903 7.009583 7.865304 5.795903 6.451164 7.173424 8.619763 9.498672 4.595638 3.405992 5.463112 3.853152 2.143310 5.704690 3.385615 1.081130 2.145451 8.637472 8.069276 6.628274 6.064425 7.284059 8.162999 7.895737 9.446135 9.090022 10.325090 9.562712 9.819201 7.036424 4.665579 5.476169 4.932437 2.454145 5.917671 4.278199 0.000000 C17H20ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4368388 0.1542184 0.1236281 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 8.952679 0.000000 8.373468 2.943478 0.000000 8.706003 2.855843 1.360447 0.000000 7.538614 4.708299 2.195501 2.258810 0.000000 9.331474 2.439582 3.872242 4.546529 5.903671 0.000000 8.468425 1.416862 2.501742 3.075025 4.441625 1.566245 0.000000 8.682724 3.662448 4.305419 5.280171 6.103603 1.544203 2.416881 0.000000 7.003448 2.490614 2.974364 3.656489 4.339355 2.433419 1.535850 2.427223 0.000000 7.155539 3.663884 4.107666 5.019866 5.494197 2.449202 2.482328 1.542124 1.514571 0.000000 8.932683 2.420318 1.455397 2.441547 3.615955 2.575199 1.560024 3.109793 2.524019 3.348588 0.000000 9.530283 2.735021 5.016538 5.414763 6.924967 1.542182 2.524351 2.530765 3.072734 3.069723 3.894962 0.000000 10.768928 3.185090 4.356086 4.995272 6.536337 1.532174 2.602995 2.563184 3.816744 3.828660 2.932597 2.498864 0.000000 6.031941 2.973235 3.078191 3.459939 3.774044 3.698870 2.515794 3.742514 1.339414 2.578140 3.245392 4.136529 5.037768 0.000000 4.566772 4.413836 4.215653 4.599159 4.286980 4.956168 3.931847 4.677815 2.544468 3.238941 4.554971 5.287335 6.360178 1.467382 0.000000 7.655766 4.125165 1.348161 2.206866 1.323217 4.856021 3.527985 4.929397 3.483567 4.466108 2.542840 6.029866 5.455825 3.284719 4.005089 0.000000 4.022793 5.335558 5.345366 5.889760 5.537174 5.354497 4.685683 4.752209 3.159470 3.210154 5.440405 5.548152 6.829225 2.545531 1.405668 5.110334 0.000000 4.018828 5.211440 4.587677 4.733087 3.968160 6.143138 4.924057 5.967157 3.724852 4.582690 5.302055 6.517908 7.464602 2.461338 1.406956 4.115878 2.404135 0.000000 8.197618 4.015743 2.099330 1.325587 1.357636 5.679408 4.152814 6.214121 4.357288 5.717377 3.489737 6.539715 6.235919 3.807294 4.594329 2.096087 5.953181 4.340417 0.000000 2.728883 6.675640 6.493604 6.998797 6.327623 6.732126 6.058991 6.040897 4.535082 4.507266 6.724784 6.893736 8.201007 3.811350 2.438608 6.061519 1.391256 2.779263 6.865842 0.000000 2.729948 6.577505 5.878799 6.050022 4.999426 7.378351 6.245994 7.041182 4.948412 5.574327 6.610117 7.702142 8.739121 3.757184 2.443519 5.240635 2.788555 1.389402 5.515004 2.419669 0.000000 1.759447 7.199443 6.709201 7.056675 6.088991 7.620039 6.716162 7.060956 5.264317 5.531210 7.219065 7.853067 9.052706 4.272755 2.807333 6.105535 2.403298 2.397064 6.670402 1.391182 1.391570 0.000000 9.178705 4.496810 5.393431 6.342734 7.185752 2.197086 3.390012 1.092249 3.349796 2.206683 4.159950 2.691305 2.963280 4.625727 5.429341 6.008000 5.272210 6.781118 7.295823 6.486894 7.769513 7.631100 0.000000 9.004210 4.169300 4.124602 5.271893 5.898505 2.180461 2.814768 1.095164 2.951547 2.182232 2.923503 3.470706 2.695166 4.197639 5.104430 4.626753 5.242906 6.289957 6.155223 6.470676 7.346991 7.413913 1.754648 0.000000 6.973795 4.112109 5.032834 5.799765 6.329876 2.955221 3.181956 2.172428 2.149542 1.094605 4.304357 3.026214 4.402762 2.961465 3.371373 5.407068 3.017211 4.777893 6.481198 4.248769 5.645932 5.417649 2.392907 3.033934 0.000000 6.645407 4.542444 4.345719 5.398461 5.430897 3.384485 3.286036 2.214319 2.181767 1.094537 3.778587 4.146673 4.616138 2.916245 3.194061 4.383479 2.968759 4.447503 5.907613 4.095638 5.271655 5.114738 2.776441 2.416765 1.752998 0.000000 8.890943 3.369727 2.060475 3.310245 3.933734 2.784948 2.204276 2.792492 2.773519 3.146637 1.089511 4.268729 3.080723 3.619842 4.738981 2.664430 5.434473 5.553082 4.149303 6.664399 6.758332 7.233593 3.809900 2.261609 4.208605 3.328936 0.000000 9.993431 2.620482 2.066435 2.679391 4.208279 2.853534 2.177196 3.688114 3.467657 4.234332 1.089780 4.118875 2.653395 4.211576 5.577743 3.267530 6.486626 6.282224 3.865745 7.788591 7.615587 8.273327 4.632381 3.457263 5.138477 4.746859 1.775644 0.000000 8.649003 2.888913 5.152287 5.502145 6.829059 2.200784 2.718524 2.793897 2.737082 2.763407 4.242567 1.092253 3.470665 3.596468 4.571056 6.027846 4.728393 5.822975 6.488517 6.030379 6.930077 7.007021 2.973399 3.844552 2.427204 3.838395 4.626437 4.679969 0.000000 10.168105 3.801228 5.948712 6.437637 7.899677 2.168837 3.477842 2.771911 3.938130 3.561398 4.720303 1.093855 2.750858 5.067483 6.111652 6.929150 6.179696 7.408125 7.575766 7.475754 8.526866 8.545141 2.490318 3.686981 3.375065 4.563930 4.928833 4.881150 1.773025 0.000000 10.137373 2.488590 5.161784 5.308568 7.082910 2.178412 2.825144 3.483936 3.662916 3.995277 4.129274 1.090074 2.715812 4.558425 5.804924 6.309067 6.238880 6.912928 6.495105 7.586345 8.155237 8.438940 3.725501 4.316276 3.994445 5.078965 4.715734 4.143679 1.757146 1.776163 0.000000 11.404376 4.086438 5.427459 6.080890 7.595572 2.165051 3.537963 2.888235 4.578850 4.305809 3.990192 2.672420 1.093572 5.854995 7.104502 6.484141 7.410808 8.293252 7.320204 8.761756 9.523209 9.719997 2.875088 3.084941 4.708446 5.090513 4.011884 3.727004 3.710768 2.469651 2.950424 0.000000 10.913577 3.735610 4.112481 4.928858 6.257347 2.198447 2.939945 2.775274 4.099054 4.067745 2.695303 3.473869 1.093475 5.297947 6.581256 5.100033 7.082118 7.618629 6.102554 8.418470 8.874752 9.218855 3.278251 2.453987 4.830722 4.642815 2.565680 2.333143 4.351294 3.722905 3.764836 1.759185 0.000000 11.254200 2.914704 4.396358 4.754717 6.575515 2.173567 2.827229 3.505509 4.253742 4.582050 3.120348 2.791012 1.093473 5.324875 6.736655 5.638249 7.361265 7.736749 6.062327 8.749902 9.069209 9.508626 3.961698 3.694026 5.119929 5.434221 3.570211 2.557870 3.776996 3.187967 2.561106 1.766605 1.775593 0.000000 8.890032 0.970596 2.464667 2.015961 4.017133 3.263400 1.965897 4.372449 2.883499 4.241453 2.421226 3.703485 3.876926 3.024642 4.424790 3.639152 5.536210 4.978915 3.161466 6.810650 6.364036 7.153922 5.295680 4.732451 4.779585 4.983770 3.476589 2.587611 3.798256 4.768250 3.420519 4.859987 4.244524 3.519640 0.000000 6.504644 2.652025 2.735482 2.700253 3.271128 4.076180 2.655615 4.453880 2.066120 3.511881 3.218718 4.487140 5.253627 1.086995 2.147228 3.071843 3.436058 2.597529 2.996710 4.573255 3.980249 4.779054 5.394573 4.861720 3.928403 3.922657 3.850884 4.040711 4.041472 5.518124 4.663303 6.165050 5.520824 5.326606 2.393039 0.000000 7.464056 4.762301 2.135869 3.234934 2.148170 4.993016 3.881482 4.741297 3.632317 4.273894 2.883034 6.266022 5.603148 3.586290 4.103580 1.078782 4.980280 4.323127 3.152685 5.857087 5.300385 5.984259 5.765715 4.281729 5.262894 3.952513 2.574566 3.691267 6.262706 7.060948 6.705132 6.552861 5.132295 5.972423 4.443229 3.680662 0.000000 4.855653 5.214607 5.551148 6.205473 6.115477 4.811124 4.450806 4.068331 2.955526 2.570054 5.357167 4.909483 6.299193 2.802081 2.163076 5.490342 1.080012 3.393619 6.475830 2.126793 3.868088 3.371544 4.424364 4.660038 2.133364 2.409472 5.277670 6.366654 4.088834 5.402192 5.712964 6.753741 6.610165 6.921292 5.596101 3.821597 5.298758 0.000000 4.866819 4.965924 4.126345 4.032681 3.231478 6.250966 4.863563 6.287517 3.938849 5.051787 5.067623 6.696537 7.451658 2.643754 2.155079 3.660713 3.389997 1.084470 3.464122 3.863676 2.136922 3.376392 7.196732 6.551084 5.381293 5.017879 5.456136 5.954485 6.104712 7.670056 6.951453 8.365818 7.571368 7.593518 4.543338 2.336189 4.094905 4.298276 0.000000 8.511236 4.630899 3.139084 2.103871 2.151777 6.544820 5.007748 7.177127 5.212758 6.635042 4.471889 7.268114 7.090832 4.522501 5.196613 3.138664 6.593097 4.730818 1.079212 7.414230 5.808768 7.069620 8.245783 7.182071 7.320623 6.863073 5.198945 4.745274 7.172596 8.333573 7.111787 8.171629 7.022750 6.806402 3.702933 3.583519 4.166110 7.196056 3.723950 0.000000 2.862196 7.455818 7.394503 7.974604 7.332227 7.250563 6.770509 6.414622 5.237064 4.931860 7.496146 7.331472 8.722406 4.695433 3.419587 6.981478 2.153861 3.861820 7.899805 1.082634 3.397658 2.147581 6.698997 6.863376 4.521676 4.459675 7.350579 8.557863 6.446701 7.781809 8.099904 9.177306 8.956725 9.348077 7.683531 5.535732 6.685318 2.452521 4.946229 8.478568 0.000000 2.867290 7.298151 6.412564 6.449584 5.198271 8.287363 7.062027 8.017034 5.859924 6.583476 7.307691 8.639833 9.600108 4.615325 3.424376 5.675378 3.871003 2.154234 5.719258 3.398811 1.082465 2.149875 8.787480 8.274793 6.702393 6.272978 7.494349 8.272032 7.888477 9.505204 9.026365 10.431895 9.700870 9.869460 6.970244 4.652043 5.794830 4.950476 2.468545 5.849782 4.288244 0.000000 C17H20ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4311790 0.1509343 0.1214845 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 628 628 628 628 628 MxSgAt= 42 MxSgA2= 42. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1944.4152119486 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0527118972 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1940.2239056512 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0522576334 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1948.3689940788 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0531384849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1943.5410011771 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0526568816 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1943.5153055450 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0525945775 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1944.2265144800 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0526347484 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1944.0795193378 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0526107893 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1943.7710015735 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0525659897 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1943.2904596801 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0524961007 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1943.0297495169 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0524490271 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1942.9451358081 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0524264574 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1942.9585878208 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0524151669 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1942.9641194580 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0524150100 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1942.9755878722 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0524180066 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 NBasis= 612 RedAO= T EigKep= 1.03D-06 NBF= 612 NBsUse= 609 1.00D-06 EigRej= 7.44D-07 NBFU= 609 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 627 627 627 627 627 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1359.21556723009 -1359.43977504650 -0.224207816410 -1359.77377941898 -0.334004372477 -1359.80019767362 -0.026418254647 -1359.81887078857 -0.018673114943 -1359.81984679176 -0.000976003189 -1359.81994045697 -0.000093665212 -1359.81995017290 -0.000009715932 -1359.81995071113 -0.000000538229 -1359.81995083440 -0.000000123269 -1359.81995084016 -0.000000005764 -1359.81995084134 -0.000000001181 -1359.81995084142 -0.000000000077 -1359.81995084124 0.000000000176 -1359.81995084164 -0.000000000395 -1359.81995084 15 1.355435982367e+03 -7.102541036591e+03 2.428790673126e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3774052475 LenY= 3773649885 Requested convergence on RMS density matrix=1.00D-08 within 128 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. -1.07135617e+00 -6.29823407e-01 8.64313715e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 17 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.014388902 -0.000241545 -0.002592759 -0.004143341 -0.001092390 0.012640066 -0.004718290 0.007527809 -0.008092961 -0.010881240 0.001861339 0.015782170 0.011194399 -0.009848379 -0.002254431 -0.003570268 0.002301840 -0.000906073 0.002310847 0.002053406 -0.008944698 -0.000785516 0.002979826 -0.005749510 0.002387528 0.000592773 0.000918183 0.003537982 0.002008756 -0.002629581 -0.006268703 0.000989012 -0.005053374 -0.000053279 0.004666589 0.004202878 -0.004519311 -0.000374378 -0.001163637 0.001184710 -0.001645895 0.002480607 -0.003761104 -0.000292455 0.001327503 0.005097385 0.003994027 -0.015600958 -0.001925831 0.005808636 -0.001336743 -0.001511847 -0.005476169 0.001916491 0.003609263 -0.012094650 0.011986630 0.001265682 0.005180288 -0.001420197 0.001613488 -0.005092881 0.001084082 -0.005961231 0.000036087 0.001013427 -0.000442639 0.000983533 0.000162318 -0.000258742 -0.000652420 -0.000175543 0.000461121 0.000278820 0.000644326 0.000943655 -0.000547410 -0.000442125 0.000674883 0.000371924 0.000207316 0.000364673 0.000294307 0.001637913 0.001086027 -0.000798714 0.000198601 -0.000602716 0.001366503 -0.001082960 -0.000406293 -0.001991651 0.000918707 -0.000338799 0.001764070 -0.000335278 0.000215004 -0.000752209 -0.001185565 -0.000133588 -0.000831867 0.001615988 0.000575254 -0.002486491 0.000155255 -0.001503575 -0.000634510 -0.000359051 -0.000298426 0.000418845 -0.000066984 -0.000333117 0.000361934 -0.000126839 -0.000589221 -0.000795086 0.000360190 0.000005296 -0.000182254 0.000590753 0.001041008 0.000704365 -0.000294638 0.001049972 -0.000713333 -0.000029501 0.015782170 0.004245075 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1359.82314495754 -1359.82316472449 -0.000019766952 -1359.82316442724 0.000000297257 -1359.82316503633 -0.000000609088 -1359.82316504223 -0.000000005902 -1359.82316504449 -0.000000002259 -1359.82316504473 -0.000000000245 -1359.82316504494 -0.000000000211 -1359.82316504481 0.000000000131 -1359.82316504468 0.000000000133 -1359.82316504 10 1.354835012914e+03 -7.070963947279e+03 2.413382599455e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3774052475 LenY= 3773649885 Requested convergence on RMS density matrix=1.00D-08 within 128 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. (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT137563.800S Sat Aug 14 07:44:44 2021 -1.13693477e+00 -6.27881022e-01 8.86593107e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1359.823165 5.327E-9 2.923E-6 -5.5770396,2.5036126,3.0734271,-0.1635066,6.3032388,-5.2363126 C01 [X(C17H20Cl1N3O1)] -1.1011933 0.6148775 -0.9392559 -0.000003762 -0.000000715 0.000000254 0.000003582 -0.000006138 0.000003296 -0.000001374 0.000005640 -0.000000561 -0.000008536 -0.000000243 0.000005072 0.000003950 -0.000002771 -0.000004348 -0.000001145 0.000001385 0.000001700 -0.000003090 -0.000002915 -0.000003874 0.000002153 -0.000000121 0.000001767 -0.000002760 0.000005857 0.000002296 -0.000003669 -0.000001985 -0.000002661 0.000006308 0.000002963 0.000002073 0.000001694 -0.000000724 -0.000000862 0.000004386 -0.000000162 0.000001227 0.000005930 -0.000001455 -0.000002013 -0.000006126 -0.000002372 0.000000759 -0.000001922 0.000003960 -0.000013447 0.000003888 0.000003407 -0.000002199 0.000001248 -0.000001759 0.000001592 -0.000000508 0.000000153 0.000006858 -0.000003581 -0.000000957 0.000001345 -0.000004178 -0.000000177 -0.000000368 0.000009960 -0.000000884 -0.000002292 -0.000000628 0.000001122 0.000000861 -0.000000530 -0.000001780 -0.000000215 -0.000000782 0.000001958 0.000002497 -0.000000283 0.000001317 0.000000587 -0.000003117 0.000002094 -0.000003019 -0.000002130 0.000000515 -0.000000775 0.000000772 -0.000000560 0.000002079 0.000000061 0.000001253 0.000001339 0.000000177 0.000000152 0.000001876 0.000000526 0.000001890 0.000000729 0.000000336 -0.000001548 -0.000001034 -0.000000178 0.000000046 0.000000577 -0.000001699 0.000000775 -0.000000190 -0.000000022 -0.000001884 -0.000000400 0.000000967 0.000000048 -0.000000474 0.000004651 -0.000001761 0.000002672 0.000000190 -0.000001478 -0.000000825 -0.000000650 -0.000000556 -0.000001743 0.000000449 0.000000414 0.000000185 -0.000000557 -0.000002006 -0.000000341 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-BELVIS19 PAULAPLA Optimization triticonazole_Z CONF2 gas EM64L-G16RevC.01 120 C1[X(C17H20ClN3O)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization triticonazole_Z CONF2 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/paulapla/almacen/ADAMA/censo_results/triticonazole_Z/gas/CONF2/opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 2 2 3 3 3 4 5 5 6 6 6 6 7 7 8 8 8 9 9 10 10 11 11 12 12 12 13 13 13 14 14 15 15 16 17 17 18 18 19 20 20 21 21 22 7 35 4 11 16 19 16 19 7 8 12 13 9 11 10 23 24 10 14 25 26 27 28 29 30 31 32 33 34 15 36 17 18 37 20 38 21 39 40 22 41 22 42 1.7594 1.4169 0.9706 1.3604 1.4554 1.3482 1.3256 1.3232 1.3576 1.5662 1.5442 1.5422 1.5322 1.5358 1.56 1.5421 1.0922 1.0952 1.5146 1.3394 1.0946 1.0945 1.0895 1.0898 1.0923 1.0939 1.0901 1.0936 1.0935 1.0935 1.4674 1.087 1.4057 1.407 1.0788 1.3913 1.08 1.3894 1.0845 1.0792 1.3912 1.0826 1.3916 1.0825 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 7 4 4 11 3 16 7 7 7 8 8 12 2 2 2 6 6 9 6 6 6 10 10 23 7 7 10 8 8 8 9 9 25 3 3 3 7 7 27 6 6 6 29 29 30 6 6 6 32 32 33 9 9 15 14 14 17 3 3 5 15 15 20 15 15 21 4 4 5 17 17 22 18 18 22 1 1 20 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 35 11 16 16 19 19 8 12 13 12 13 13 6 9 11 9 11 11 10 23 24 23 24 24 10 14 14 9 25 26 25 26 26 7 27 28 27 28 28 29 30 31 30 31 31 32 33 34 33 34 34 15 36 36 17 18 18 5 37 37 20 38 38 21 39 39 5 40 40 22 41 41 22 42 42 20 21 21 109.4358 120.2034 109.1265 130.1503 102.8018 102.8572 101.9748 108.6006 114.2978 110.1649 112.8536 108.7421 109.6288 114.964 108.6924 103.3342 110.9195 109.2286 105.0399 111.7429 110.2462 112.668 110.5306 106.6731 108.929 121.9363 129.1005 105.131 109.7918 113.1478 109.8972 112.4884 106.4073 112.079 107.2482 107.6985 111.36 109.2122 109.1313 112.1852 109.5504 110.526 108.3956 107.2534 108.8367 109.9609 112.6413 110.6404 107.098 107.7551 108.5648 130.007 116.368 113.5741 124.7366 117.7953 117.4678 110.5396 122.9158 126.5446 121.357 120.4024 118.2247 121.8105 119.2003 118.9769 114.6619 121.7218 123.615 119.4778 120.5551 119.9666 119.0729 120.7636 120.1635 119.5692 119.6238 120.8067 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 35 35 35 11 16 4 4 4 16 16 16 4 4 11 11 3 3 19 19 16 16 8 8 8 12 12 12 13 13 13 7 7 7 12 12 12 13 13 13 7 7 7 8 8 8 13 13 13 7 7 7 8 8 8 12 12 12 2 2 6 6 11 11 2 2 2 6 6 6 9 9 9 6 6 6 23 23 23 24 24 24 7 7 7 14 14 14 7 7 10 10 9 9 36 36 14 14 18 18 14 14 17 17 15 15 38 38 15 15 39 39 17 17 41 41 18 18 42 42 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 14 14 14 14 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 7 7 7 4 4 11 11 11 11 11 11 16 16 16 16 19 19 16 16 19 19 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 6 9 11 19 19 7 27 28 7 27 28 5 37 5 37 5 40 3 37 4 40 2 9 11 2 9 11 2 9 11 10 23 24 10 23 24 10 23 24 29 30 31 29 30 31 29 30 31 32 33 34 32 33 34 32 33 34 10 14 10 14 10 14 3 27 28 3 27 28 3 27 28 9 25 26 9 25 26 9 25 26 8 25 26 8 25 26 15 36 15 36 17 18 17 18 20 38 20 38 21 39 21 39 22 41 22 41 22 42 22 42 1 21 1 21 1 20 1 20 157.8442 -86.2986 36.4542 -173.4586 -0.9173 64.7784 -172.7082 -55.3668 -105.9882 16.5252 133.8666 1.2317 -178.801 172.7916 -7.2411 0.3382 -179.2556 -0.9527 179.0814 0.3711 179.9561 159.1876 36.1605 -80.7725 42.8797 -80.1474 162.9196 -78.7151 158.2578 41.3248 -38.8639 -161.329 80.2251 76.3023 -46.1628 -164.6087 -161.9471 75.5878 -42.858 51.7439 172.1728 -67.9063 -59.16 61.2688 -178.8103 176.6798 -62.8913 57.0296 174.3839 -66.2486 55.4695 -69.6833 49.6842 171.4023 52.867 172.2345 -66.0474 -140.2611 41.6846 -20.8447 161.101 97.2741 -80.7802 -65.2479 174.6054 54.0117 174.1558 54.0091 -66.5846 60.9009 -59.2458 -179.8395 26.3654 -91.7985 149.4946 148.23 30.066 -88.6408 -92.5329 149.3032 30.5963 -3.0676 115.0252 -126.6185 174.8046 -67.1026 51.2537 174.6431 -2.5663 -2.9851 179.8055 21.9793 -157.8494 -160.7486 19.4227 -179.3948 2.0789 0.4345 -178.0919 178.8938 0.1829 -0.9475 -179.6584 0.303 -179.4393 178.8604 -0.8819 0.707 -179.2865 179.4207 -0.5728 179.657 -0.5652 -0.5991 179.1786 179.847 0.0694 -0.1595 -179.9371 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00077 0.00279 0.00367 0.00411 0.00449 0.00595 0.00891 0.01006 0.01204 0.01458 0.01715 0.01777 0.01801 0.02118 0.02191 0.02278 0.02356 0.02392 0.02574 0.02615 0.02773 0.02916 0.03058 0.03464 0.03684 0.04089 0.04224 0.04379 0.04460 0.04547 0.04599 0.04659 0.04759 0.04943 0.05493 0.05780 0.05834 0.06304 0.06758 0.06986 0.07217 0.07260 0.07869 0.08258 0.08794 0.09430 0.10034 0.10861 0.11331 0.11577 0.11616 0.11929 0.11945 0.12385 0.12640 0.13106 0.13562 0.14083 0.14944 0.15420 0.15690 0.15887 0.16180 0.17124 0.17339 0.17868 0.18453 0.19194 0.19658 0.20149 0.20844 0.21289 0.22247 0.23849 0.24068 0.24456 0.25409 0.25661 0.26056 0.26791 0.27162 0.27778 0.28925 0.31147 0.31717 0.32202 0.32387 0.32571 0.33028 0.33213 0.33274 0.33310 0.33650 0.33753 0.34067 0.34130 0.34563 0.34702 0.34825 0.35002 0.35637 0.35949 0.36138 0.36478 0.37017 0.37135 0.38230 0.39532 0.40876 0.41279 0.43543 0.45454 0.46098 0.46656 0.48336 0.50286 0.50446 0.52606 0.59882 0.61759 Angle between quadratic step and forces= 77.67 degrees. 1 2 0.00014762 0.00000001 0.00000001 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 3.32487 2.67748 1.83416 2.57087 2.75030 2.54765 2.50500 2.50052 2.56556 2.95977 2.91812 2.91430 2.89539 2.90234 2.94802 2.91419 2.06405 2.06956 2.86212 2.53113 2.06850 2.06837 2.05888 2.05939 2.06406 2.06709 2.05994 2.06655 2.06637 2.06636 2.77295 2.05412 2.65633 2.65876 2.03860 2.62909 2.04093 2.62559 2.04935 2.03941 2.62895 2.04588 2.62969 2.04556 1.91002 2.09794 1.90462 2.27155 1.79423 1.79520 1.77980 1.89544 1.99487 1.92274 1.96967 1.89791 1.91338 2.00650 1.89704 1.80352 1.93591 1.90640 1.83329 1.95028 1.92416 1.96643 1.92912 1.86180 1.90117 2.12819 2.25323 1.83488 1.91623 1.97480 1.91807 1.96329 1.85716 1.95615 1.87184 1.87969 1.94360 1.90611 1.90470 1.95800 1.91201 1.92904 1.89186 1.87192 1.89956 1.91918 1.96596 1.93104 1.86921 1.88068 1.89481 2.26905 2.03101 1.98224 2.17707 2.05592 2.05020 1.92928 2.14529 2.20862 2.11808 2.10142 2.06341 2.12599 2.08044 2.07654 2.00123 2.12445 2.15749 2.08528 2.10408 2.09381 2.07821 2.10772 2.09725 2.08688 2.08783 2.10847 2.75490 -1.50619 0.63625 -3.02742 -0.01601 1.13060 -3.01433 -0.96633 -1.84984 0.28842 2.33641 0.02150 -3.12067 3.01578 -0.12638 0.00590 -3.12860 -0.01663 3.12556 0.00648 3.14083 2.77835 0.63112 -1.40975 0.74839 -1.39884 2.84348 -1.37384 2.76212 0.72125 -0.67830 -2.81572 1.40019 1.33173 -0.80569 -2.87296 -2.82651 1.31926 -0.74801 0.90310 3.00498 -1.18519 -1.03254 1.06934 -3.12083 3.08364 -1.09766 0.99535 3.04357 -1.15626 0.96813 -1.21620 0.86715 2.99153 0.92270 3.00606 -1.15275 -2.44802 0.72753 -0.36381 2.81174 1.69775 -1.40988 -1.13879 3.04744 0.94268 3.03959 0.94264 -1.16212 1.06292 -1.03403 -3.13879 0.46016 -1.60219 2.60917 2.58710 0.52475 -1.54707 -1.61500 2.60583 0.53401 -0.05354 2.00757 -2.20991 3.05092 -1.17116 0.89455 3.04810 -0.04479 -0.05210 3.13820 0.38361 -2.75499 -2.80559 0.33899 -3.13103 0.03628 0.00758 -3.10829 3.12229 0.00319 -0.01654 -3.13563 0.00529 -3.13181 3.12170 -0.01539 0.01234 -3.12914 3.13148 -0.01000 3.13561 -0.00987 -0.01046 3.12726 3.13892 0.00121 -0.00278 -3.14049 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 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 0.00002 -0.00001 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00001 -0.00000 0.00002 -0.00002 0.00001 0.00000 0.00001 0.00002 -0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00002 -0.00002 0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 -0.00002 0.00001 0.00001 -0.00001 0.00000 -0.00002 0.00001 -0.00000 0.00002 -0.00002 0.00001 0.00003 -0.00003 0.00001 -0.00000 -0.00003 0.00003 -0.00001 0.00001 -0.00002 0.00002 -0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00002 -0.00002 0.00002 -0.00001 0.00001 0.00001 -0.00000 0.00003 -0.00001 0.00002 -0.00001 -0.00003 0.00001 0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00001 0.00003 -0.00001 -0.00002 0.00002 -0.00001 -0.00001 -0.00001 0.00002 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00002 -0.00017 -0.00017 -0.00015 0.00007 0.00003 0.00004 0.00008 0.00006 0.00010 0.00014 0.00012 -0.00002 0.00001 -0.00008 -0.00004 -0.00002 -0.00000 0.00001 -0.00003 0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00003 -0.00001 -0.00003 -0.00005 -0.00003 -0.00005 -0.00009 -0.00011 -0.00011 -0.00007 -0.00010 -0.00010 -0.00006 -0.00008 -0.00009 -0.00008 -0.00006 -0.00007 -0.00007 -0.00006 -0.00006 -0.00007 -0.00005 -0.00005 0.00005 0.00005 0.00005 0.00002 0.00002 0.00001 0.00003 0.00003 0.00003 0.00005 0.00009 0.00007 0.00010 0.00004 0.00008 0.00005 -0.00000 0.00003 0.00003 -0.00002 0.00001 0.00004 -0.00001 0.00001 0.00013 0.00015 0.00014 0.00014 0.00016 0.00015 0.00016 0.00018 0.00017 -0.00012 -0.00015 -0.00014 -0.00016 -0.00019 -0.00018 0.00001 0.00000 0.00005 0.00005 0.00012 0.00009 0.00013 0.00010 -0.00001 0.00003 0.00003 0.00006 0.00000 0.00002 -0.00003 -0.00001 -0.00001 0.00000 -0.00004 -0.00003 0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00002 0.00000 0.00001 0.00001 0.00002 -0.00002 0.00001 -0.00000 0.00002 -0.00002 0.00001 0.00000 0.00001 0.00002 -0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00002 -0.00002 0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 -0.00002 0.00001 0.00001 -0.00001 0.00000 -0.00002 0.00001 -0.00000 0.00002 -0.00002 0.00001 0.00003 -0.00003 0.00001 -0.00000 -0.00003 0.00003 -0.00001 0.00001 -0.00002 0.00002 -0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00002 -0.00002 0.00002 -0.00001 0.00001 0.00001 -0.00000 0.00003 -0.00001 0.00002 -0.00001 -0.00003 0.00001 0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00001 0.00003 -0.00001 -0.00002 0.00002 -0.00001 -0.00001 -0.00001 0.00002 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00002 -0.00017 -0.00017 -0.00015 0.00007 0.00003 0.00004 0.00008 0.00006 0.00010 0.00014 0.00012 -0.00002 0.00001 -0.00008 -0.00004 -0.00002 -0.00000 0.00001 -0.00003 0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00003 -0.00001 -0.00003 -0.00005 -0.00003 -0.00005 -0.00009 -0.00011 -0.00011 -0.00007 -0.00010 -0.00010 -0.00006 -0.00008 -0.00009 -0.00008 -0.00006 -0.00007 -0.00007 -0.00006 -0.00006 -0.00007 -0.00005 -0.00005 0.00005 0.00005 0.00005 0.00002 0.00002 0.00001 0.00003 0.00003 0.00003 0.00005 0.00009 0.00007 0.00010 0.00004 0.00008 0.00005 -0.00000 0.00003 0.00003 -0.00002 0.00001 0.00004 -0.00001 0.00001 0.00013 0.00015 0.00014 0.00014 0.00016 0.00015 0.00016 0.00018 0.00017 -0.00012 -0.00015 -0.00014 -0.00016 -0.00019 -0.00018 0.00001 0.00000 0.00005 0.00005 0.00012 0.00009 0.00013 0.00010 -0.00001 0.00003 0.00003 0.00006 0.00000 0.00002 -0.00003 -0.00001 -0.00001 0.00000 -0.00004 -0.00003 0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00002 0.00000 0.00001 0.00001 0.00002 3.32485 2.67749 1.83416 2.57089 2.75028 2.54766 2.50500 2.50053 2.56558 2.95977 2.91812 2.91430 2.89538 2.90235 2.94800 2.91418 2.06405 2.06957 2.86212 2.53113 2.06851 2.06837 2.05888 2.05939 2.06406 2.06709 2.05995 2.06655 2.06637 2.06637 2.77294 2.05413 2.65634 2.65877 2.03860 2.62909 2.04092 2.62559 2.04935 2.03941 2.62896 2.04589 2.62969 2.04556 1.91003 2.09792 1.90463 2.27156 1.79423 1.79520 1.77978 1.89545 1.99487 1.92276 1.96965 1.89792 1.91341 2.00647 1.89705 1.80352 1.93588 1.90643 1.83328 1.95029 1.92414 1.96645 1.92912 1.86180 1.90117 2.12818 2.25324 1.83487 1.91621 1.97482 1.91806 1.96331 1.85716 1.95615 1.87186 1.87968 1.94362 1.90610 1.90467 1.95801 1.91202 1.92904 1.89187 1.87191 1.89955 1.91917 1.96596 1.93105 1.86922 1.88068 1.89481 2.26908 2.03099 1.98223 2.17708 2.05591 2.05019 1.92927 2.14530 2.20861 2.11808 2.10142 2.06340 2.12600 2.08044 2.07653 2.00123 2.12445 2.15749 2.08529 2.10408 2.09381 2.07823 2.10771 2.09725 2.08688 2.08784 2.10846 2.75473 -1.50637 0.63610 -3.02735 -0.01598 1.13064 -3.01424 -0.96627 -1.84974 0.28856 2.33653 0.02148 -3.12065 3.01571 -0.12642 0.00588 -3.12860 -0.01662 3.12553 0.00649 3.14082 2.77833 0.63113 -1.40976 0.74836 -1.39884 2.84346 -1.37389 2.76209 0.72121 -0.67839 -2.81583 1.40008 1.33165 -0.80579 -2.87306 -2.82657 1.31917 -0.74810 0.90302 3.00492 -1.18525 -1.03261 1.06929 -3.12089 3.08358 -1.09771 0.99530 3.04363 -1.15620 0.96818 -1.21619 0.86717 2.99155 0.92273 3.00609 -1.15272 -2.44797 0.72762 -0.36374 2.81185 1.69779 -1.40980 -1.13874 3.04744 0.94271 3.03962 0.94262 -1.16211 1.06296 -1.03405 -3.13878 0.46029 -1.60204 2.60932 2.58724 0.52491 -1.54692 -1.61485 2.60601 0.53418 -0.05366 2.00742 -2.21005 3.05076 -1.17135 0.89437 3.04811 -0.04479 -0.05205 3.13824 0.38373 -2.75490 -2.80546 0.33909 -3.13104 0.03631 0.00761 -3.10823 3.12229 0.00321 -0.01656 -3.13564 0.00528 -3.13181 3.12167 -0.01542 0.01235 -3.12914 3.13147 -0.01001 3.13561 -0.00988 -0.01046 3.12724 3.13892 0.00122 -0.00278 -3.14048 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000016 0.000003 0.000795 0.000148 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.778997e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 2 2 3 3 3 4 5 5 6 6 6 6 7 7 8 8 8 9 9 10 10 11 11 12 12 12 13 13 13 14 14 15 15 16 17 17 18 18 19 20 20 21 21 22 7 35 4 11 16 19 16 19 7 8 12 13 9 11 10 23 24 10 14 25 26 27 28 29 30 31 32 33 34 15 36 17 18 37 20 38 21 39 40 22 41 22 42 1.7594 1.4169 0.9706 1.3604 1.4554 1.3482 1.3256 1.3232 1.3576 1.5662 1.5442 1.5422 1.5322 1.5358 1.56 1.5421 1.0922 1.0952 1.5146 1.3394 1.0946 1.0945 1.0895 1.0898 1.0923 1.0939 1.0901 1.0936 1.0935 1.0935 1.4674 1.087 1.4057 1.407 1.0788 1.3913 1.08 1.3894 1.0845 1.0792 1.3912 1.0826 1.3916 1.0825 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 7 4 4 11 3 16 7 7 7 8 8 12 2 2 2 6 6 9 6 6 6 10 10 23 7 7 10 8 8 8 9 9 25 3 3 3 7 7 27 6 6 6 29 29 30 6 6 6 32 32 33 9 9 15 14 14 17 3 3 5 15 15 20 15 15 21 4 4 5 17 17 22 18 18 22 1 1 20 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 35 11 16 16 19 19 8 12 13 12 13 13 6 9 11 9 11 11 10 23 24 23 24 24 10 14 14 9 25 26 25 26 26 7 27 28 27 28 28 29 30 31 30 31 31 32 33 34 33 34 34 15 36 36 17 18 18 5 37 37 20 38 38 21 39 39 5 40 40 22 41 41 22 42 42 20 21 21 109.4358 120.2034 109.1265 130.1503 102.8018 102.8572 101.9748 108.6006 114.2978 110.1649 112.8536 108.7421 109.6288 114.964 108.6924 103.3342 110.9195 109.2286 105.0399 111.7429 110.2462 112.668 110.5306 106.6731 108.929 121.9363 129.1005 105.131 109.7918 113.1478 109.8972 112.4884 106.4073 112.079 107.2482 107.6985 111.36 109.2122 109.1313 112.1852 109.5504 110.526 108.3956 107.2534 108.8367 109.9609 112.6413 110.6404 107.098 107.7551 108.5648 130.007 116.368 113.5741 124.7366 117.7953 117.4678 110.5396 122.9158 126.5446 121.357 120.4024 118.2247 121.8105 119.2003 118.9769 114.6619 121.7218 123.615 119.4778 120.5551 119.9666 119.0729 120.7636 120.1635 119.5692 119.6238 120.8067 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 35 35 35 11 16 4 4 4 16 16 16 4 4 11 11 3 3 19 19 16 16 8 8 8 12 12 12 13 13 13 7 7 7 12 12 12 13 13 13 7 7 7 8 8 8 13 13 13 7 7 7 8 8 8 12 12 12 2 2 6 6 11 11 2 2 2 6 6 6 9 9 9 6 6 6 23 23 23 24 24 24 7 7 7 14 14 14 7 7 10 10 9 9 36 36 14 14 18 18 14 14 17 17 15 15 38 38 15 15 39 39 17 17 41 41 18 18 42 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 14 14 14 14 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 7 7 7 4 4 11 11 11 11 11 11 16 16 16 16 19 19 16 16 19 19 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 6 9 11 19 19 7 27 28 7 27 28 5 37 5 37 5 40 3 37 4 40 2 9 11 2 9 11 2 9 11 10 23 24 10 23 24 10 23 24 29 30 31 29 30 31 29 30 31 32 33 34 32 33 34 32 33 34 10 14 10 14 10 14 3 27 28 3 27 28 3 27 28 9 25 26 9 25 26 9 25 26 8 25 26 8 25 26 15 36 15 36 17 18 17 18 20 38 20 38 21 39 21 39 22 41 22 41 22 42 22 42 1 21 1 21 1 20 1 157.8442 -86.2986 36.4542 -173.4586 -0.9173 64.7784 -172.7082 -55.3668 -105.9882 16.5252 133.8666 1.2317 -178.801 172.7916 -7.2411 0.3382 -179.2556 -0.9527 179.0814 0.3711 179.9561 159.1876 36.1605 -80.7725 42.8797 -80.1474 162.9196 -78.7151 158.2578 41.3248 -38.8639 -161.329 80.2251 76.3023 -46.1628 -164.6087 -161.9471 75.5878 -42.858 51.7439 172.1728 -67.9063 -59.16 61.2688 -178.8103 176.6798 -62.8913 57.0296 174.3839 -66.2486 55.4695 -69.6833 49.6842 171.4023 52.867 172.2345 -66.0474 -140.2611 41.6846 -20.8447 161.101 97.2741 -80.7802 -65.2479 174.6054 54.0117 174.1558 54.0091 -66.5846 60.9009 -59.2458 -179.8395 26.3654 -91.7985 149.4946 148.23 30.066 -88.6408 -92.5329 149.3032 30.5963 -3.0676 115.0252 -126.6185 174.8046 -67.1026 51.2537 174.6431 -2.5663 -2.9851 179.8055 21.9793 -157.8494 -160.7486 19.4227 -179.3948 2.0789 0.4345 -178.0919 178.8938 0.1829 -0.9475 -179.6584 0.303 -179.4393 178.8604 -0.8819 0.707 -179.2865 179.4207 -0.5728 179.657 -0.5652 -0.5991 179.1786 179.847 0.0694 -0.1595 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1942.9755878722 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0524180066 0.000000 8.952679 0.000000 8.373468 2.943478 0.000000 8.706003 2.855843 1.360447 0.000000 7.538614 4.708299 2.195501 2.258810 0.000000 9.331474 2.439582 3.872242 4.546529 5.903671 0.000000 8.468425 1.416862 2.501742 3.075025 4.441625 1.566245 0.000000 8.682724 3.662448 4.305419 5.280171 6.103603 1.544203 2.416881 0.000000 7.003448 2.490614 2.974364 3.656489 4.339355 2.433419 1.535850 2.427223 0.000000 7.155539 3.663884 4.107666 5.019866 5.494197 2.449202 2.482328 1.542124 1.514571 0.000000 8.932683 2.420318 1.455397 2.441547 3.615955 2.575199 1.560024 3.109793 2.524019 3.348588 0.000000 9.530283 2.735021 5.016538 5.414763 6.924967 1.542182 2.524351 2.530765 3.072734 3.069723 3.894962 0.000000 10.768928 3.185090 4.356086 4.995272 6.536337 1.532174 2.602995 2.563184 3.816744 3.828660 2.932597 2.498864 0.000000 6.031941 2.973235 3.078191 3.459939 3.774044 3.698870 2.515794 3.742514 1.339414 2.578140 3.245392 4.136529 5.037768 0.000000 4.566772 4.413836 4.215653 4.599159 4.286980 4.956168 3.931847 4.677815 2.544468 3.238941 4.554971 5.287335 6.360178 1.467382 0.000000 7.655766 4.125165 1.348161 2.206866 1.323217 4.856021 3.527985 4.929397 3.483567 4.466108 2.542840 6.029866 5.455825 3.284719 4.005089 0.000000 4.022793 5.335558 5.345366 5.889760 5.537174 5.354497 4.685683 4.752209 3.159470 3.210154 5.440405 5.548152 6.829225 2.545531 1.405668 5.110334 0.000000 4.018828 5.211440 4.587677 4.733087 3.968160 6.143138 4.924057 5.967157 3.724852 4.582690 5.302055 6.517908 7.464602 2.461338 1.406956 4.115878 2.404135 0.000000 8.197618 4.015743 2.099330 1.325587 1.357636 5.679408 4.152814 6.214121 4.357288 5.717377 3.489737 6.539715 6.235919 3.807294 4.594329 2.096087 5.953181 4.340417 0.000000 2.728883 6.675640 6.493604 6.998797 6.327623 6.732126 6.058991 6.040897 4.535082 4.507266 6.724784 6.893736 8.201007 3.811350 2.438608 6.061519 1.391256 2.779263 6.865842 0.000000 2.729948 6.577505 5.878799 6.050022 4.999426 7.378351 6.245994 7.041182 4.948412 5.574327 6.610117 7.702142 8.739121 3.757184 2.443519 5.240635 2.788555 1.389402 5.515004 2.419669 0.000000 1.759447 7.199443 6.709201 7.056675 6.088991 7.620039 6.716162 7.060956 5.264317 5.531210 7.219065 7.853067 9.052706 4.272755 2.807333 6.105535 2.403298 2.397064 6.670402 1.391182 1.391570 0.000000 9.178705 4.496810 5.393431 6.342734 7.185752 2.197086 3.390012 1.092249 3.349796 2.206683 4.159950 2.691305 2.963280 4.625727 5.429341 6.008000 5.272210 6.781118 7.295823 6.486894 7.769513 7.631100 0.000000 9.004210 4.169300 4.124602 5.271893 5.898505 2.180461 2.814768 1.095164 2.951547 2.182232 2.923503 3.470706 2.695166 4.197639 5.104430 4.626753 5.242906 6.289957 6.155223 6.470676 7.346991 7.413913 1.754648 0.000000 6.973795 4.112109 5.032834 5.799765 6.329876 2.955221 3.181956 2.172428 2.149542 1.094605 4.304357 3.026214 4.402762 2.961465 3.371373 5.407068 3.017211 4.777893 6.481198 4.248769 5.645932 5.417649 2.392907 3.033934 0.000000 6.645407 4.542444 4.345719 5.398461 5.430897 3.384485 3.286036 2.214319 2.181767 1.094537 3.778587 4.146673 4.616138 2.916245 3.194061 4.383479 2.968759 4.447503 5.907613 4.095638 5.271655 5.114738 2.776441 2.416765 1.752998 0.000000 8.890943 3.369727 2.060475 3.310245 3.933734 2.784948 2.204276 2.792492 2.773519 3.146637 1.089511 4.268729 3.080723 3.619842 4.738981 2.664430 5.434473 5.553082 4.149303 6.664399 6.758332 7.233593 3.809900 2.261609 4.208605 3.328936 0.000000 9.993431 2.620482 2.066435 2.679391 4.208279 2.853534 2.177196 3.688114 3.467657 4.234332 1.089780 4.118875 2.653395 4.211576 5.577743 3.267530 6.486626 6.282224 3.865745 7.788591 7.615587 8.273327 4.632381 3.457263 5.138477 4.746859 1.775644 0.000000 8.649003 2.888913 5.152287 5.502145 6.829059 2.200784 2.718524 2.793897 2.737082 2.763407 4.242567 1.092253 3.470665 3.596468 4.571056 6.027846 4.728393 5.822975 6.488517 6.030379 6.930077 7.007021 2.973399 3.844552 2.427204 3.838395 4.626437 4.679969 0.000000 10.168105 3.801228 5.948712 6.437637 7.899677 2.168837 3.477842 2.771911 3.938130 3.561398 4.720303 1.093855 2.750858 5.067483 6.111652 6.929150 6.179696 7.408125 7.575766 7.475754 8.526866 8.545141 2.490318 3.686981 3.375065 4.563930 4.928833 4.881150 1.773025 0.000000 10.137373 2.488590 5.161784 5.308568 7.082910 2.178412 2.825144 3.483936 3.662916 3.995277 4.129274 1.090074 2.715812 4.558425 5.804924 6.309067 6.238880 6.912928 6.495105 7.586345 8.155237 8.438940 3.725501 4.316276 3.994445 5.078965 4.715734 4.143679 1.757146 1.776163 0.000000 11.404376 4.086438 5.427459 6.080890 7.595572 2.165051 3.537963 2.888235 4.578850 4.305809 3.990192 2.672420 1.093572 5.854995 7.104502 6.484141 7.410808 8.293252 7.320204 8.761756 9.523209 9.719997 2.875088 3.084941 4.708446 5.090513 4.011884 3.727004 3.710768 2.469651 2.950424 0.000000 10.913577 3.735610 4.112481 4.928858 6.257347 2.198447 2.939945 2.775274 4.099054 4.067745 2.695303 3.473869 1.093475 5.297947 6.581256 5.100033 7.082118 7.618629 6.102554 8.418470 8.874752 9.218855 3.278251 2.453987 4.830722 4.642815 2.565680 2.333143 4.351294 3.722905 3.764836 1.759185 0.000000 11.254200 2.914704 4.396358 4.754717 6.575515 2.173567 2.827229 3.505509 4.253742 4.582050 3.120348 2.791012 1.093473 5.324875 6.736655 5.638249 7.361265 7.736749 6.062327 8.749902 9.069209 9.508626 3.961698 3.694026 5.119929 5.434221 3.570211 2.557870 3.776996 3.187967 2.561106 1.766605 1.775593 0.000000 8.890032 0.970596 2.464667 2.015961 4.017133 3.263400 1.965897 4.372449 2.883499 4.241453 2.421226 3.703485 3.876926 3.024642 4.424790 3.639152 5.536210 4.978915 3.161466 6.810650 6.364036 7.153922 5.295680 4.732451 4.779585 4.983770 3.476589 2.587611 3.798256 4.768250 3.420519 4.859987 4.244524 3.519640 0.000000 6.504644 2.652025 2.735482 2.700253 3.271128 4.076180 2.655615 4.453880 2.066120 3.511881 3.218718 4.487140 5.253627 1.086995 2.147228 3.071843 3.436058 2.597529 2.996710 4.573255 3.980249 4.779054 5.394573 4.861720 3.928403 3.922657 3.850884 4.040711 4.041472 5.518124 4.663303 6.165050 5.520824 5.326606 2.393039 0.000000 7.464056 4.762301 2.135869 3.234934 2.148170 4.993016 3.881482 4.741297 3.632317 4.273894 2.883034 6.266022 5.603148 3.586290 4.103580 1.078782 4.980280 4.323127 3.152685 5.857087 5.300385 5.984259 5.765715 4.281729 5.262894 3.952513 2.574566 3.691267 6.262706 7.060948 6.705132 6.552861 5.132295 5.972423 4.443229 3.680662 0.000000 4.855653 5.214607 5.551148 6.205473 6.115477 4.811124 4.450806 4.068331 2.955526 2.570054 5.357167 4.909483 6.299193 2.802081 2.163076 5.490342 1.080012 3.393619 6.475830 2.126793 3.868088 3.371544 4.424364 4.660038 2.133364 2.409472 5.277670 6.366654 4.088834 5.402192 5.712964 6.753741 6.610165 6.921292 5.596101 3.821597 5.298758 0.000000 4.866819 4.965924 4.126345 4.032681 3.231478 6.250966 4.863563 6.287517 3.938849 5.051787 5.067623 6.696537 7.451658 2.643754 2.155079 3.660713 3.389997 1.084470 3.464122 3.863676 2.136922 3.376392 7.196732 6.551084 5.381293 5.017879 5.456136 5.954485 6.104712 7.670056 6.951453 8.365818 7.571368 7.593518 4.543338 2.336189 4.094905 4.298276 0.000000 8.511236 4.630899 3.139084 2.103871 2.151777 6.544820 5.007748 7.177127 5.212758 6.635042 4.471889 7.268114 7.090832 4.522501 5.196613 3.138664 6.593097 4.730818 1.079212 7.414230 5.808768 7.069620 8.245783 7.182071 7.320623 6.863073 5.198945 4.745274 7.172596 8.333573 7.111787 8.171629 7.022750 6.806402 3.702933 3.583519 4.166110 7.196056 3.723950 0.000000 2.862196 7.455818 7.394503 7.974604 7.332227 7.250563 6.770509 6.414622 5.237064 4.931860 7.496146 7.331472 8.722406 4.695433 3.419587 6.981478 2.153861 3.861820 7.899805 1.082634 3.397658 2.147581 6.698997 6.863376 4.521676 4.459675 7.350579 8.557863 6.446701 7.781809 8.099904 9.177306 8.956725 9.348077 7.683531 5.535732 6.685318 2.452521 4.946229 8.478568 0.000000 2.867290 7.298151 6.412564 6.449584 5.198271 8.287363 7.062027 8.017034 5.859924 6.583476 7.307691 8.639833 9.600108 4.615325 3.424376 5.675378 3.871003 2.154234 5.719258 3.398811 1.082465 2.149875 8.787480 8.274793 6.702393 6.272978 7.494349 8.272032 7.888477 9.505204 9.026365 10.431895 9.700870 9.869460 6.970244 4.652043 5.794830 4.950476 2.468545 5.849782 4.288244 0.000000 C17H20ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4311790 0.1509343 0.1214845 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 NBasis= 612 RedAO= T EigKep= 1.03D-06 NBF= 612 NBsUse= 609 1.00D-06 EigRej= 7.44D-07 NBFU= 609 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 627 627 627 627 627 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1359.82316504487 -1359.82316504490 -0.000000000037 -1359.82316504 2 1.354835013073e+03 -7.070963946657e+03 2.413382598673e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3774052475 LenY= 3773649885 Requested convergence on RMS density matrix=1.00D-08 within 128 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. Using compressed storage, NAtomX= 42. Will process 43 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 12986 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 3774873600 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=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 810000000 NMat= 126 IRICut= 315 DoRegI=T DoRafI=T 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= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 126 NMatS0= 126 NMatT0= 0 NMatD0= 126 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 80.53% of shell-pairs survive, threshold= 0.20 IRatSp=81. There are 129 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 126 vectors produced by pass 0 Test12= 4.41D-14 1.00D-09 XBig12= 3.57D+02 1.33D+01. AX will form 126 AO Fock derivatives at one time. 126 vectors produced by pass 1 Test12= 4.41D-14 1.00D-09 XBig12= 8.13D+01 1.75D+00. 126 vectors produced by pass 2 Test12= 4.41D-14 1.00D-09 XBig12= 8.46D-01 8.10D-02. 126 vectors produced by pass 3 Test12= 4.41D-14 1.00D-09 XBig12= 5.68D-03 5.23D-03. 126 vectors produced by pass 4 Test12= 4.41D-14 1.00D-09 XBig12= 1.40D-05 3.13D-04. 113 vectors produced by pass 5 Test12= 4.41D-14 1.00D-09 XBig12= 2.14D-08 9.30D-06. 40 vectors produced by pass 6 Test12= 4.41D-14 1.00D-09 XBig12= 2.86D-11 3.35D-07. 3 vectors produced by pass 7 Test12= 4.41D-14 1.00D-09 XBig12= 3.26D-14 1.36D-08. InvSVY: IOpt=1 It= 1 EMax= 1.95D-14 Solved reduced A of dimension 786 with 129 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 240.07 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 326.635 20.580 225.990 3.854 -14.487 167.596 444.466 34.739 349.496 11.551 -35.468 283.501 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT105731.900S Sat Aug 14 09:34:57 2021 -1.13693480e+00 -6.27880819e-01 8.86593225e-01 3.26635054e+02 2.05800393e+01 2.25990447e+02 3.85381820e+00 -1.44869281e+01 1.67596380e+02 -3.3730 -0.3940 0.0006 0.0016 0.0023 1.6753 13.9237 32.8120 55.4665 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 13.9079 32.8116 55.4661 63.6514 74.8627 99.5249 122.3521 139.9086 174.6910 188.5301 203.5292 222.6543 249.5440 261.8095 270.3518 313.7649 323.3387 331.0409 350.2811 366.4494 380.8460 398.5594 417.6061 422.3007 436.6263 471.9402 527.5495 531.2610 540.0127 586.1534 612.1002 622.6438 649.0969 663.9420 686.8299 695.9534 720.6819 742.1324 771.2062 797.4653 830.2824 833.7938 836.8566 859.2253 883.9258 903.0263 906.2490 929.6314 938.0484 963.1026 967.4793 974.9040 977.7260 990.1860 1004.0316 1016.0969 1020.0528 1027.9882 1035.5946 1056.6377 1098.4724 1104.3598 1130.8322 1139.2319 1150.3149 1167.2267 1198.8141 1218.9312 1219.6788 1234.1081 1241.6108 1246.5069 1259.9822 1276.6455 1310.3075 1312.7977 1318.2970 1332.0663 1339.0685 1345.6359 1363.4059 1380.4958 1405.2417 1406.8227 1415.4052 1432.4916 1443.3752 1470.0916 1480.7870 1482.3470 1490.8802 1500.2520 1516.1484 1517.2384 1523.0803 1523.3101 1535.8811 1598.0821 1631.2205 1709.2141 3019.9244 3020.6725 3024.4360 3032.0252 3050.7742 3077.0551 3077.9373 3085.1096 3091.8240 3096.3409 3121.0873 3136.5520 3137.0599 3171.0982 3192.0507 3199.1064 3224.3017 3246.8557 3252.6325 3664.1206 3.8856 7.7160 5.3874 6.1939 4.1547 4.7908 4.0772 6.0675 7.1278 3.8504 2.8321 2.8896 1.2675 3.0587 2.4835 3.4837 1.7258 3.4782 3.7235 3.6588 2.6418 3.8134 2.9365 2.6641 3.9717 2.9486 2.5742 1.4577 2.2258 2.0198 4.1137 4.0690 5.7806 4.0244 4.4243 4.5443 3.8249 4.9105 4.1270 1.8978 1.3116 2.4214 2.1583 1.4409 2.1367 1.4116 2.0788 1.9128 1.5908 1.3911 1.5879 4.8091 1.4021 1.7562 1.9312 2.7493 1.9237 3.7078 3.5552 2.3621 3.7893 3.0473 1.6218 1.7356 1.5062 1.8800 2.0111 1.1598 1.7325 2.0036 3.2549 2.0414 2.5457 1.8293 3.4503 3.2166 1.8399 1.5649 1.6987 1.8515 1.2828 2.9365 1.6001 1.2751 1.3614 1.2894 2.0133 2.2119 1.1074 1.1977 1.1390 1.0605 1.0742 1.1000 1.8370 1.1987 3.3923 6.3581 5.4543 8.0604 1.0540 1.0487 1.0605 1.0416 1.0968 1.0880 1.0813 1.0892 1.1006 1.1002 1.1000 1.0923 1.1017 1.0893 1.0905 1.0941 1.0914 1.0964 1.1011 1.0677 0.0004 0.0049 0.0098 0.0148 0.0137 0.0280 0.0360 0.0700 0.1282 0.0806 0.0691 0.0844 0.0465 0.1235 0.1069 0.2021 0.1063 0.2246 0.2692 0.2895 0.2258 0.3569 0.3017 0.2799 0.4461 0.3869 0.4221 0.2424 0.3824 0.4089 0.9081 0.9294 1.4350 1.0452 1.2297 1.2968 1.1705 1.5935 1.4462 0.7111 0.5327 0.9918 0.8906 0.6268 0.9836 0.6782 1.0059 0.9740 0.8247 0.7602 0.8757 2.6930 0.7897 1.0145 1.1470 1.6724 1.1793 2.3085 2.2464 1.5538 2.6939 2.1897 1.2219 1.3271 1.1742 1.5091 1.7029 1.0153 1.5185 1.7979 2.9564 1.8688 2.3811 1.7567 3.4902 3.2662 1.8840 1.6360 1.7946 1.9753 1.4049 3.2973 1.8617 1.4869 1.6069 1.5589 2.4712 2.8164 1.4307 1.5505 1.4916 1.4064 1.4549 1.4919 2.5107 1.6388 4.7148 9.5670 8.5509 13.8739 5.6634 5.6377 5.7154 5.6418 6.0145 6.0693 6.0354 6.1083 6.1988 6.2146 6.3134 6.3316 6.3877 6.4537 6.5465 6.5974 6.6852 6.8101 6.8634 8.4457 0.0621 0.0189 0.5587 0.1917 0.0467 0.1701 2.5571 0.2928 0.2201 0.4781 1.4656 0.1062 0.2313 1.4195 1.2580 0.8878 1.4536 1.9306 1.9561 0.6606 3.2317 12.5757 0.0768 4.2169 7.8819 0.3269 9.1624 29.7191 27.3851 42.0295 4.7141 2.6308 1.7769 10.8709 43.2784 2.8113 1.5009 8.6198 2.9641 2.5369 1.7787 20.2764 25.9773 11.6746 0.4652 5.6004 4.3022 7.7839 15.0302 2.4690 2.2450 8.0354 0.1560 0.6902 1.7041 6.9021 5.0982 26.4649 17.4370 16.4031 18.6383 64.5795 5.9277 14.5258 10.5294 29.1124 1.3633 2.6175 47.7450 8.6708 1.7694 0.1325 21.1456 19.0749 36.0853 6.0708 3.2091 0.0189 10.3243 2.8094 4.8609 23.4876 5.9861 6.3360 24.2737 30.5404 7.1168 23.1722 8.8542 0.6662 1.1838 4.4545 6.3529 2.9308 63.5651 42.6446 48.8088 0.3820 8.3232 0.2387 2.5018 20.3037 46.7877 27.2555 20.5321 4.0737 48.8594 35.8405 17.4758 44.1218 16.1590 0.6630 10.1819 5.0924 2.3409 2.9264 3.6412 1.5630 1.2235 208.8698 0.02 0.01 -0.06 0.05 0.01 -0.01 -0.02 -0.00 0.02 0.02 0.00 0.02 -0.03 -0.00 0.10 -0.01 0.00 -0.05 0.00 0.00 -0.01 -0.06 0.00 -0.01 -0.01 0.00 0.04 -0.04 0.02 0.07 -0.03 -0.00 -0.01 0.05 0.00 -0.04 -0.02 -0.00 -0.11 0.01 -0.02 0.03 0.00 -0.02 0.03 -0.05 -0.01 0.07 0.00 0.04 0.22 0.02 -0.07 -0.19 0.01 0.00 0.07 0.00 0.05 0.19 0.02 -0.06 -0.22 0.02 -0.00 -0.03 -0.05 0.00 -0.03 -0.11 -0.01 -0.02 0.01 0.02 0.11 -0.10 0.05 0.11 -0.07 -0.01 -0.01 -0.03 0.00 -0.05 0.07 0.00 0.01 0.04 0.00 -0.07 0.10 0.00 -0.07 -0.03 -0.00 -0.13 -0.07 -0.00 -0.12 0.01 -0.00 -0.13 0.04 0.02 0.00 0.01 -0.04 -0.00 -0.09 -0.01 0.07 -0.00 0.08 0.40 0.02 -0.12 -0.34 0.04 0.01 0.08 -0.00 0.10 0.35 0.03 -0.10 -0.39 -0.06 0.18 0.14 -0.08 0.03 0.02 0.12 -0.05 0.03 0.10 -0.02 0.06 0.24 -0.18 -0.04 -0.06 0.02 0.01 -0.03 -0.01 -0.00 -0.03 -0.03 -0.03 -0.04 -0.06 -0.08 -0.03 -0.05 -0.07 0.07 -0.01 0.04 -0.14 0.03 0.00 -0.03 0.06 0.08 -0.04 -0.08 -0.12 -0.04 -0.04 -0.11 0.21 -0.15 -0.03 -0.02 0.01 -0.00 -0.07 -0.04 -0.17 0.17 -0.09 0.01 -0.02 0.07 0.07 -0.07 0.03 -0.11 -0.05 0.08 0.02 -0.05 -0.02 -0.05 0.01 -0.04 -0.01 -0.05 -0.05 -0.07 -0.02 -0.05 -0.08 0.10 -0.04 0.03 0.08 0.04 0.09 -0.16 -0.01 -0.04 -0.18 0.05 0.00 -0.15 0.07 0.03 -0.06 0.08 0.10 0.03 0.06 0.09 -0.05 0.09 0.11 -0.05 0.03 0.03 -0.06 -0.09 -0.13 0.24 -0.20 -0.06 0.01 -0.00 0.04 -0.09 -0.07 -0.26 0.18 -0.09 0.02 0.00 0.11 0.16 -0.10 0.04 -0.15 -0.00 0.05 -0.13 0.03 -0.06 -0.06 -0.00 -0.01 -0.04 0.19 -0.06 -0.08 0.10 -0.14 0.08 -0.03 0.00 -0.01 -0.03 -0.01 -0.03 -0.08 0.05 0.05 -0.03 0.01 0.05 -0.06 0.04 0.09 -0.08 0.04 -0.09 0.02 -0.05 0.03 -0.05 0.02 -0.08 -0.03 0.00 0.07 -0.03 0.03 0.09 -0.05 -0.06 0.06 -0.00 0.01 0.01 -0.06 0.06 0.16 0.25 -0.13 -0.00 0.00 0.02 -0.05 -0.05 0.08 0.12 -0.02 0.05 -0.00 -0.08 0.06 0.09 -0.11 0.10 0.02 -0.05 0.02 0.13 -0.09 0.07 0.11 -0.20 0.06 -0.07 -0.05 0.07 -0.21 0.03 -0.06 0.08 0.01 -0.04 0.06 0.05 -0.09 -0.01 -0.05 0.02 -0.05 -0.09 0.06 -0.11 -0.02 -0.03 -0.13 0.10 -0.08 -0.10 -0.02 -0.02 0.04 -0.20 -0.04 0.11 0.01 -0.00 -0.03 -0.08 0.08 0.25 0.40 -0.19 -0.01 0.03 0.01 -0.13 -0.07 0.10 0.16 -0.04 -0.00 0.12 -0.05 -0.05 -0.04 0.01 0.00 -0.02 0.20 -0.07 -0.07 -0.13 0.12 0.23 0.03 -0.01 0.04 -0.00 -0.00 -0.03 0.07 0.06 0.06 0.01 0.02 -0.06 0.05 0.06 0.00 -0.02 0.02 -0.06 0.02 -0.06 0.09 0.03 -0.03 0.07 -0.01 -0.01 -0.13 -0.00 -0.02 -0.16 -0.18 0.12 0.17 -0.02 -0.03 -0.16 0.01 -0.03 -0.15 0.11 0.01 0.08 -0.03 -0.03 -0.10 0.00 -0.03 -0.09 -0.02 -0.02 -0.04 0.09 0.06 0.11 0.08 0.10 0.04 0.04 0.04 0.03 0.08 0.12 -0.02 -0.07 0.03 -0.05 -0.01 0.02 -0.11 0.02 -0.06 0.07 0.04 -0.06 0.14 -0.01 -0.11 0.08 0.06 -0.03 0.13 0.04 0.02 0.04 -0.00 -0.08 0.05 0.05 -0.08 -0.10 -0.01 -0.03 -0.16 -0.36 0.20 0.25 -0.02 -0.03 -0.19 0.02 -0.03 -0.17 0.22 -0.02 0.08 -0.04 -0.03 -0.08 0.01 -0.03 -0.06 -0.04 -0.05 0.05 -0.02 0.03 0.01 -0.04 0.01 0.04 -0.09 0.06 0.08 0.09 -0.13 -0.04 0.05 -0.01 -0.00 -0.01 0.03 0.01 0.02 0.09 0.08 -0.00 0.08 0.02 0.03 0.16 0.14 -0.05 0.01 0.02 0.22 -0.05 0.03 0.01 -0.08 -0.13 -0.02 0.04 -0.07 -0.02 0.03 -0.08 0.07 -0.11 -0.04 -0.04 0.02 -0.09 -0.00 0.02 -0.05 -0.02 -0.02 0.03 -0.05 -0.01 -0.07 -0.00 -0.00 -0.03 -0.03 -0.02 -0.02 0.08 0.08 0.11 -0.07 0.11 0.04 0.11 0.13 0.25 -0.03 0.29 0.16 -0.07 0.00 0.02 -0.05 0.01 -0.00 0.25 -0.01 0.13 0.25 -0.07 0.03 0.26 -0.12 -0.03 0.06 -0.11 -0.13 -0.09 -0.05 -0.16 0.05 -0.14 -0.20 -0.07 0.04 0.03 -0.04 -0.01 -0.13 0.13 -0.19 -0.09 -0.06 0.02 -0.12 0.02 0.03 -0.05 -0.03 0.01 0.05 -0.07 -0.02 -0.07 0.01 -0.01 0.00 0.02 0.12 0.00 0.09 0.01 0.01 0.07 -0.01 -0.00 -0.01 0.03 0.03 -0.05 0.11 0.02 -0.04 0.02 -0.01 0.03 -0.02 0.01 -0.13 0.03 0.06 -0.01 -0.09 0.05 -0.09 -0.03 0.15 0.07 -0.01 0.02 0.03 -0.01 0.01 -0.06 0.10 -0.15 0.01 -0.17 -0.02 0.01 -0.15 -0.03 0.05 0.05 -0.00 0.07 -0.14 -0.10 -0.05 -0.10 0.02 -0.08 0.10 0.04 0.08 -0.08 -0.11 -0.05 -0.03 0.03 0.01 -0.01 -0.03 -0.17 0.04 0.06 -0.18 0.05 0.03 -0.06 -0.08 0.24 -0.15 0.03 0.18 0.09 -0.01 0.02 0.07 0.01 0.05 0.05 -0.07 0.11 -0.04 0.02 -0.00 0.13 0.00 -0.05 -0.12 0.13 -0.20 -0.12 0.11 -0.16 0.05 0.13 -0.20 0.04 0.02 0.04 0.00 -0.21 -0.07 0.10 0.04 -0.02 0.10 -0.18 -0.13 -0.10 -0.11 0.06 -0.15 0.14 0.06 0.13 -0.07 -0.16 -0.10 0.02 0.08 0.02 -0.01 -0.02 0.04 -0.11 -0.13 0.00 -0.01 -0.08 -0.07 0.18 0.05 0.00 -0.04 0.09 -0.01 0.00 0.02 0.01 -0.03 -0.09 0.02 0.06 0.04 0.01 -0.02 -0.05 0.01 0.01 -0.02 -0.03 0.01 -0.16 -0.10 -0.10 0.10 0.01 0.05 0.08 0.02 -0.01 -0.03 0.01 0.00 0.01 0.04 -0.15 -0.05 0.01 0.01 0.03 0.02 0.00 0.01 -0.06 0.16 0.15 0.01 0.01 0.04 0.02 0.00 0.02 0.02 0.01 0.02 -0.00 0.08 0.12 0.06 0.14 0.01 -0.04 -0.02 -0.02 0.05 0.01 -0.05 -0.15 0.02 -0.14 -0.01 0.04 -0.27 -0.12 -0.18 0.08 -0.14 -0.06 0.19 -0.11 -0.14 0.08 0.00 0.07 0.19 0.06 0.13 0.05 -0.03 -0.00 0.07 0.01 -0.11 -0.17 0.02 -0.01 -0.04 0.10 -0.32 -0.14 0.01 0.01 0.03 0.02 0.00 0.01 -0.11 0.30 0.28 0.01 0.01 0.05 0.02 0.00 0.02 -0.07 -0.06 -0.10 -0.13 0.01 0.00 0.20 -0.07 -0.02 0.10 -0.05 0.00 -0.02 0.16 0.03 0.02 -0.04 -0.02 0.00 -0.04 -0.05 0.03 0.01 0.01 -0.01 -0.05 -0.14 0.03 0.05 0.00 0.18 -0.06 0.05 0.08 -0.09 0.02 0.01 -0.04 -0.07 -0.03 -0.04 -0.17 -0.05 0.02 -0.01 0.13 0.06 0.00 -0.08 0.05 0.10 -0.06 0.05 0.07 -0.03 0.09 0.03 -0.09 0.06 0.17 -0.07 0.05 0.14 -0.08 0.04 0.12 0.06 0.01 0.03 0.00 0.02 -0.01 0.07 -0.00 0.11 0.00 0.18 0.00 0.33 -0.11 0.01 0.17 -0.02 0.22 0.10 -0.11 0.07 0.07 -0.08 0.04 0.12 -0.13 -0.03 0.01 -0.04 -0.04 -0.01 0.00 -0.10 0.04 -0.07 -0.11 -0.08 -0.00 0.00 -0.04 -0.10 -0.24 0.18 0.08 -0.00 -0.08 0.05 0.08 -0.06 0.04 0.04 -0.13 0.13 0.04 -0.10 0.06 0.20 -0.06 0.05 0.15 -0.17 -0.03 0.04 0.26 -0.11 -0.00 0.10 0.03 -0.06 0.08 0.09 -0.02 0.05 0.09 0.01 0.05 -0.05 0.01 0.08 -0.05 0.07 0.01 -0.13 -0.01 0.03 -0.07 0.16 0.02 -0.17 0.01 0.06 0.04 -0.05 0.08 0.00 -0.03 0.05 -0.06 -0.00 -0.05 0.06 0.19 -0.07 0.09 0.05 0.09 0.04 -0.04 -0.11 0.05 -0.02 -0.09 0.07 -0.04 0.04 0.12 0.02 -0.12 0.02 -0.09 -0.08 0.03 -0.12 -0.13 0.02 -0.10 -0.04 -0.12 -0.04 0.03 -0.14 0.01 -0.04 -0.12 -0.11 0.04 -0.31 0.01 -0.02 0.10 -0.02 0.08 0.07 -0.13 0.08 0.05 -0.05 0.12 -0.02 -0.07 0.07 0.02 -0.02 0.06 -0.06 0.00 0.05 -0.05 -0.01 0.05 -0.07 -0.01 0.19 -0.10 -0.01 -0.13 0.09 0.27 0.12 -0.00 -0.06 -0.14 0.08 -0.01 -0.10 0.07 -0.02 0.01 0.17 0.06 -0.12 0.02 -0.11 -0.05 0.00 -0.15 0.01 -0.08 0.04 0.05 -0.03 -0.02 0.03 -0.09 0.04 -0.02 -0.13 0.03 -0.05 -0.01 -0.01 -0.03 0.01 -0.01 0.04 -0.05 -0.03 -0.05 0.02 0.02 0.03 -0.03 -0.00 -0.02 -0.00 0.05 0.06 -0.10 0.04 -0.11 -0.08 0.06 -0.02 0.20 -0.09 0.01 0.05 0.03 0.02 0.13 -0.01 0.01 -0.03 0.03 0.00 0.12 -0.04 0.05 0.12 -0.03 -0.06 -0.08 -0.01 -0.01 0.08 -0.06 0.06 0.07 -0.06 0.03 0.05 -0.06 -0.05 0.02 0.03 -0.07 0.02 0.01 -0.02 -0.03 0.10 -0.06 0.02 0.07 0.10 -0.14 0.01 0.05 -0.09 0.10 -0.11 -0.31 0.16 -0.32 0.03 0.09 0.05 -0.02 -0.02 -0.20 0.29 -0.21 -0.02 0.15 -0.06 0.15 0.35 -0.09 0.00 -0.02 0.02 -0.06 0.03 0.02 0.03 0.01 0.04 -0.02 0.14 -0.04 0.07 0.13 -0.03 -0.10 -0.09 -0.03 -0.03 0.06 -0.08 0.08 0.06 -0.07 -0.03 -0.01 -0.03 0.16 0.01 -0.03 -0.03 -0.01 0.01 -0.02 -0.02 -0.00 -0.02 -0.03 -0.00 0.03 0.01 -0.02 0.05 -0.00 -0.01 0.03 -0.07 -0.05 0.03 0.01 0.03 0.05 0.10 0.14 -0.01 -0.02 -0.02 -0.08 0.09 -0.07 0.06 0.03 0.12 0.00 -0.05 -0.10 -0.01 -0.02 -0.06 -0.03 -0.01 0.01 -0.02 -0.01 -0.01 -0.02 -0.00 -0.01 -0.01 -0.03 -0.01 -0.02 0.01 0.04 -0.03 0.02 0.06 -0.04 0.02 0.05 0.11 -0.11 -0.22 -0.11 -0.23 -0.00 0.25 0.10 0.29 -0.10 0.27 0.23 -0.04 -0.03 -0.02 -0.01 -0.04 -0.05 -0.08 -0.08 -0.00 -0.28 0.15 -0.17 0.07 0.25 -0.08 0.07 0.03 0.18 0.16 0.03 0.13 -0.03 0.02 0.17 0.07 0.04 0.03 -0.02 -0.13 -0.20 -0.05 -0.00 0.01 -0.01 -0.01 -0.03 -0.03 -0.01 -0.02 0.00 -0.05 -0.02 -0.02 0.01 0.05 -0.03 0.03 0.09 -0.05 0.02 -0.04 0.11 0.01 -0.01 -0.07 0.02 0.05 -0.05 -0.02 0.03 -0.01 -0.05 -0.01 0.05 0.04 0.03 0.06 0.02 0.01 0.06 0.08 0.04 0.04 -0.01 -0.02 0.04 -0.08 -0.11 -0.01 -0.01 0.01 0.07 0.00 0.06 0.06 0.14 -0.04 0.02 -0.02 -0.06 -0.01 -0.05 -0.06 -0.05 0.00 0.03 -0.03 -0.04 -0.00 -0.03 -0.03 -0.02 -0.01 -0.06 -0.02 -0.04 -0.01 0.08 -0.04 -0.01 0.06 -0.05 -0.00 0.08 -0.02 0.11 0.18 0.19 0.20 0.01 -0.13 -0.08 -0.24 0.17 -0.22 -0.19 -0.04 -0.02 0.01 -0.02 -0.06 -0.02 0.05 0.15 -0.05 0.24 -0.06 0.14 -0.09 -0.11 0.10 -0.09 0.19 -0.31 0.04 -0.06 0.06 0.21 0.37 0.03 0.04 0.03 0.03 0.01 0.00 -0.02 -0.07 0.03 0.05 -0.03 -0.04 -0.03 -0.04 -0.04 -0.04 0.03 -0.10 -0.05 -0.03 0.00 0.11 -0.04 -0.01 0.07 0.01 -0.02 0.01 -0.03 -0.05 0.00 0.02 -0.02 -0.03 0.01 0.00 -0.02 -0.01 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.02 -0.02 0.01 -0.00 -0.01 0.02 -0.01 0.02 0.06 0.00 -0.00 -0.01 -0.01 0.05 -0.04 -0.01 0.01 0.01 -0.01 -0.02 -0.01 0.00 0.01 -0.01 0.01 -0.02 -0.01 0.01 0.02 -0.01 0.00 0.01 -0.01 -0.00 0.02 0.01 0.01 0.02 -0.01 0.01 0.02 0.00 0.01 0.02 -0.00 0.00 -0.03 -0.02 -0.06 -0.05 0.01 0.04 0.02 0.10 -0.05 0.07 0.08 0.00 0.01 -0.01 0.00 0.00 -0.01 -0.03 0.46 -0.32 0.41 -0.12 0.04 -0.39 -0.11 0.13 -0.10 0.03 -0.28 -0.00 -0.23 0.15 0.08 0.26 0.14 -0.01 -0.06 -0.03 -0.02 -0.04 -0.04 0.01 -0.04 -0.02 0.01 0.01 -0.01 0.00 0.01 -0.01 -0.01 0.04 0.03 0.01 0.02 -0.01 0.00 0.03 0.01 -0.04 0.08 0.00 -0.11 -0.02 -0.01 0.02 -0.03 -0.03 0.01 -0.01 -0.02 -0.01 -0.00 0.01 0.05 -0.02 -0.01 0.00 -0.00 -0.03 0.08 -0.04 -0.04 -0.00 0.07 -0.02 0.07 0.10 0.01 0.01 -0.02 -0.01 0.01 -0.03 -0.01 0.08 0.12 -0.01 0.01 0.09 0.07 -0.02 -0.01 0.11 0.01 -0.03 -0.02 -0.05 -0.04 0.06 -0.00 -0.04 0.07 -0.01 0.01 0.01 -0.03 -0.11 -0.04 -0.01 -0.10 -0.04 -0.03 -0.11 -0.07 0.17 -0.07 -0.14 0.03 -0.14 -0.01 0.19 0.12 0.06 0.02 0.20 0.04 0.04 -0.03 -0.02 0.01 -0.01 0.02 0.02 -0.16 0.07 -0.12 0.03 -0.02 0.12 0.03 -0.05 -0.13 0.20 -0.32 0.14 -0.14 0.15 0.24 0.45 0.14 -0.05 -0.04 -0.06 0.08 0.11 0.07 0.01 -0.05 -0.03 -0.07 -0.02 0.09 0.01 -0.03 0.09 -0.02 0.03 0.03 -0.05 -0.12 -0.06 0.02 -0.13 -0.06 -0.02 0.04 0.01 0.10 0.04 -0.08 0.05 -0.07 0.04 -0.00 -0.11 0.04 -0.03 0.01 -0.01 -0.01 0.04 -0.03 0.01 0.02 -0.07 -0.01 0.12 0.01 0.00 0.03 -0.03 -0.01 0.06 -0.00 0.04 -0.05 0.00 -0.03 0.02 -0.01 -0.00 -0.04 0.05 0.01 0.04 0.03 -0.01 0.01 0.07 0.04 -0.01 0.02 -0.03 -0.01 0.04 0.00 -0.01 0.04 -0.05 -0.05 -0.01 -0.02 -0.05 -0.03 0.00 -0.05 -0.03 -0.01 -0.06 -0.05 -0.04 0.14 0.11 -0.01 0.21 -0.03 -0.05 0.03 0.02 0.00 0.07 -0.01 0.06 -0.13 -0.03 0.04 -0.02 0.05 -0.06 0.30 -0.24 0.29 -0.10 0.10 -0.34 -0.15 0.10 0.16 -0.10 0.34 0.01 0.16 -0.06 -0.18 -0.31 -0.03 0.03 0.07 -0.01 0.04 0.04 0.01 0.08 0.02 0.03 -0.04 0.01 0.05 0.01 0.00 0.06 -0.11 -0.06 -0.03 -0.03 -0.06 -0.05 0.02 -0.07 -0.05 -0.02 -0.03 0.01 -0.06 0.06 0.05 0.04 -0.13 -0.13 0.03 -0.07 -0.09 -0.09 -0.04 0.05 0.02 0.06 0.04 0.00 0.01 0.02 -0.00 0.09 0.07 0.00 -0.03 0.00 -0.01 -0.05 -0.01 -0.00 -0.04 -0.03 0.14 0.19 -0.04 0.03 0.05 0.07 0.01 -0.03 0.02 0.00 -0.02 0.03 -0.03 -0.15 -0.07 0.02 -0.01 0.02 -0.03 0.01 0.02 -0.05 0.00 0.03 0.02 0.03 -0.02 -0.02 0.04 -0.03 -0.00 0.04 -0.04 -0.09 0.12 0.18 0.07 0.20 0.03 -0.12 -0.07 -0.05 0.06 -0.10 -0.06 0.00 0.03 -0.01 0.01 -0.02 -0.04 0.19 0.12 0.15 -0.03 0.21 -0.27 0.37 0.38 -0.09 0.06 0.05 0.15 0.07 0.09 0.05 -0.02 0.01 0.07 0.01 0.05 0.05 0.01 -0.03 0.02 -0.04 -0.23 -0.10 0.04 -0.02 0.03 -0.06 -0.01 0.03 -0.08 0.09 0.11 0.06 0.04 -0.02 -0.04 0.05 -0.04 0.00 0.02 -0.02 -0.06 -0.09 0.03 0.01 -0.02 -0.00 -0.00 -0.02 0.00 -0.01 -0.00 0.00 0.02 0.01 0.01 0.01 -0.01 0.04 0.01 -0.06 -0.01 0.02 0.02 0.04 0.02 -0.01 0.01 -0.02 0.01 0.00 0.01 0.05 -0.02 0.03 0.12 -0.06 0.00 0.03 0.02 0.01 0.01 -0.04 0.00 -0.02 -0.00 -0.02 0.00 -0.04 0.03 -0.00 -0.03 -0.02 -0.01 0.01 -0.02 -0.02 0.03 0.01 -0.02 0.03 -0.01 -0.02 0.06 0.04 -0.07 -0.10 -0.01 -0.14 0.02 0.04 0.02 -0.02 0.01 -0.03 0.02 -0.08 0.04 0.02 0.00 0.04 -0.07 -0.00 0.18 -0.12 0.15 -0.01 0.00 -0.12 -0.00 0.05 0.06 0.15 0.40 0.01 0.55 -0.31 0.01 -0.26 -0.32 -0.01 -0.11 -0.06 -0.01 0.04 0.04 0.01 -0.02 -0.01 -0.03 0.01 -0.07 0.05 0.00 -0.05 -0.03 0.00 0.01 -0.05 -0.03 0.04 0.03 -0.04 0.04 0.06 0.07 -0.04 0.06 -0.04 0.01 0.07 -0.07 -0.03 0.04 -0.06 -0.01 -0.03 0.03 0.01 -0.04 -0.00 0.02 -0.03 0.00 0.04 -0.03 0.04 0.04 -0.01 0.05 0.06 -0.03 -0.00 -0.01 -0.03 0.01 -0.00 -0.02 0.05 -0.01 -0.08 -0.10 0.00 -0.03 0.10 0.03 -0.01 0.08 -0.10 0.05 -0.04 -0.02 -0.07 0.04 -0.11 0.09 0.01 -0.08 -0.03 0.01 0.01 -0.09 -0.06 0.07 0.06 -0.09 0.07 -0.00 -0.09 0.15 -0.04 0.05 0.11 -0.01 0.10 0.01 -0.12 0.01 -0.08 0.01 -0.11 -0.03 -0.10 0.02 0.01 -0.00 0.08 -0.05 -0.01 -0.09 0.10 -0.20 0.10 -0.12 0.14 0.19 -0.05 -0.08 -0.13 -0.31 -0.14 -0.36 0.14 -0.03 0.11 0.13 0.03 -0.03 0.00 -0.08 0.11 0.07 0.09 -0.05 -0.04 -0.14 0.07 -0.20 0.20 0.05 -0.13 -0.09 0.04 0.03 -0.19 -0.11 0.09 0.13 -0.14 0.09 -0.01 0.03 -0.01 0.05 0.23 0.13 -0.05 -0.01 -0.15 0.03 0.07 -0.12 -0.04 -0.05 0.05 0.00 -0.03 -0.02 0.03 -0.01 0.03 -0.00 -0.04 -0.01 0.03 -0.03 0.02 0.01 -0.02 0.04 0.06 -0.05 0.05 -0.08 -0.12 0.05 0.00 -0.00 -0.04 0.01 0.01 0.01 0.01 0.04 -0.02 -0.09 -0.09 -0.08 -0.03 0.03 -0.02 0.04 0.03 -0.01 0.04 0.04 0.01 -0.04 -0.03 0.01 0.03 -0.03 0.01 -0.01 -0.05 0.02 0.01 -0.04 -0.04 -0.03 -0.06 -0.00 0.04 -0.02 0.06 -0.02 -0.00 0.06 0.29 0.04 0.06 0.00 -0.16 0.22 -0.13 -0.02 -0.13 0.09 -0.16 0.23 -0.31 -0.28 0.11 0.01 0.00 0.06 -0.01 0.09 -0.09 0.01 -0.09 -0.10 0.07 0.24 0.26 -0.03 -0.01 0.00 -0.16 -0.18 -0.10 -0.07 0.05 -0.04 0.08 0.04 -0.02 0.10 0.10 0.09 -0.07 -0.05 0.01 0.07 -0.06 0.02 -0.00 -0.05 -0.00 0.04 0.11 0.03 0.10 -0.10 -0.01 0.05 -0.10 -0.00 -0.04 0.05 -0.01 0.01 -0.02 -0.02 -0.05 0.05 0.03 0.05 -0.03 -0.06 -0.04 0.14 0.10 0.03 0.07 -0.05 -0.13 0.07 -0.02 -0.04 -0.11 0.04 0.01 0.01 -0.03 -0.00 0.05 0.07 -0.01 -0.10 -0.01 0.08 -0.04 -0.02 0.06 -0.08 -0.02 -0.06 -0.08 -0.05 -0.06 0.00 0.00 0.06 0.05 -0.00 -0.06 0.07 0.02 0.00 0.10 0.05 0.12 -0.05 -0.12 0.04 -0.10 -0.02 0.05 0.16 -0.17 0.05 -0.01 -0.05 -0.39 0.11 0.02 -0.05 0.25 -0.26 -0.06 -0.11 -0.01 0.01 -0.10 0.19 -0.13 -0.22 0.04 -0.04 0.03 -0.08 0.01 -0.02 -0.02 0.05 0.06 -0.02 0.05 0.12 0.09 0.07 0.08 0.09 0.14 -0.04 -0.04 0.13 -0.13 0.00 -0.13 -0.12 -0.10 -0.14 0.04 0.01 0.14 0.09 -0.02 -0.13 0.12 0.01 0.07 0.01 0.00 0.03 0.06 -0.04 0.01 -0.01 0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.04 0.02 -0.03 -0.03 0.02 -0.03 -0.09 -0.08 -0.07 -0.05 -0.03 -0.02 -0.08 -0.04 -0.01 -0.02 0.01 -0.02 0.19 -0.08 0.05 0.02 0.09 0.14 -0.06 -0.01 -0.01 -0.04 0.04 -0.02 0.01 0.01 0.01 -0.04 0.04 -0.02 -0.00 0.01 -0.00 -0.01 -0.01 -0.01 -0.03 -0.00 -0.00 0.00 -0.03 0.01 0.02 -0.03 0.01 -0.10 -0.10 -0.24 -0.11 -0.23 -0.00 -0.01 -0.03 0.02 -0.14 -0.01 0.02 -0.06 -0.02 -0.03 -0.01 0.05 -0.05 0.26 0.06 0.21 0.34 -0.14 0.10 0.23 -0.28 -0.08 -0.03 0.13 0.24 0.24 0.09 0.17 -0.08 0.14 0.24 -0.04 0.09 0.03 -0.09 -0.02 -0.01 0.02 0.02 0.01 -0.05 0.05 -0.01 0.04 0.03 -0.00 -0.01 -0.02 -0.02 -0.08 -0.03 -0.00 0.01 -0.03 0.02 -0.09 -0.01 -0.03 -0.10 -0.01 -0.06 -0.03 0.02 0.01 -0.02 0.03 0.00 0.01 -0.02 0.00 0.01 0.01 -0.09 0.02 0.00 -0.08 -0.08 0.06 -0.03 0.03 -0.00 0.03 -0.06 0.00 0.06 0.08 -0.05 0.01 0.03 -0.05 -0.05 0.06 0.00 0.08 0.07 0.07 0.21 0.08 -0.04 -0.00 -0.02 0.01 0.01 0.07 -0.08 -0.11 0.05 -0.04 -0.13 0.01 -0.00 -0.00 0.04 0.00 0.03 0.02 0.05 0.03 -0.03 0.08 0.17 -0.12 0.08 0.04 -0.13 0.14 -0.08 -0.04 -0.04 0.13 -0.11 0.04 0.09 0.28 -0.12 -0.04 0.03 -0.12 0.21 0.04 -0.07 -0.01 0.03 -0.04 -0.01 0.04 -0.10 -0.09 0.08 -0.01 0.11 0.22 -0.08 0.14 -0.08 0.06 0.21 0.02 -0.04 -0.12 0.09 0.17 0.35 -0.03 0.01 0.01 0.06 -0.09 -0.21 0.01 -0.10 -0.26 0.04 -0.01 -0.00 0.11 0.02 -0.04 0.03 0.03 -0.02 0.00 0.00 0.00 0.02 -0.02 -0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.01 0.01 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.02 0.02 -0.01 0.02 0.01 0.01 0.02 -0.02 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.01 -0.01 -0.00 -0.02 0.06 0.20 0.02 -0.06 -0.20 0.00 0.00 0.00 0.01 -0.06 -0.19 -0.02 0.05 0.20 0.00 -0.01 -0.00 0.01 -0.01 -0.02 0.02 -0.03 0.01 -0.00 0.02 -0.05 -0.00 -0.02 -0.02 0.10 -0.02 0.00 0.00 -0.03 0.09 0.01 0.02 0.04 0.01 0.01 0.01 0.02 0.01 0.01 -0.01 -0.01 -0.01 -0.05 0.00 -0.01 -0.02 -0.02 -0.02 -0.01 -0.02 -0.02 0.01 0.01 -0.02 -0.01 -0.02 -0.01 -0.04 0.12 0.45 0.05 -0.11 -0.42 0.01 0.00 0.01 0.03 -0.12 -0.40 -0.04 0.11 0.43 0.06 -0.02 0.01 0.09 -0.08 -0.06 -0.02 0.01 -0.04 0.00 0.02 -0.04 -0.01 -0.03 0.02 -0.04 0.05 0.06 -0.03 0.03 -0.00 0.03 -0.03 -0.02 -0.05 0.07 -0.01 0.01 0.08 -0.06 0.10 -0.05 0.08 0.03 0.06 0.08 -0.09 0.00 -0.02 -0.05 0.08 0.03 -0.06 -0.05 0.01 -0.04 -0.03 -0.02 -0.01 -0.05 -0.04 -0.07 -0.05 0.01 0.01 0.01 0.01 0.00 0.04 0.02 -0.05 0.00 -0.03 0.01 0.05 0.03 0.11 -0.07 -0.19 0.04 -0.21 0.07 0.05 0.12 -0.09 0.03 0.09 -0.08 0.49 -0.14 0.00 0.02 -0.14 0.48 0.06 0.08 0.14 0.05 0.04 0.06 0.07 0.03 0.04 -0.05 -0.02 -0.03 -0.19 0.03 -0.05 -0.05 -0.06 -0.08 -0.02 -0.06 -0.09 0.02 0.12 0.07 -0.07 -0.08 -0.03 0.06 -0.10 -0.08 -0.09 -0.06 0.02 0.05 0.03 0.04 0.02 0.05 0.03 -0.11 0.03 -0.10 0.16 -0.02 0.02 -0.01 -0.01 0.02 -0.01 0.02 -0.00 -0.00 0.03 -0.00 0.02 0.00 -0.00 0.08 -0.09 -0.09 -0.00 -0.04 -0.00 0.03 0.10 0.05 -0.05 -0.01 0.05 0.01 -0.00 0.04 0.02 -0.02 0.03 -0.05 -0.06 -0.16 0.16 0.03 -0.00 -0.12 0.04 0.04 -0.14 -0.01 0.01 -0.01 0.02 0.00 -0.09 0.01 -0.01 -0.12 -0.05 -0.03 0.02 0.01 -0.00 -0.06 0.04 -0.03 -0.11 -0.02 0.01 0.01 0.02 0.02 -0.02 0.15 0.37 0.02 0.40 -0.10 -0.07 -0.02 0.00 0.07 -0.03 0.00 0.09 0.01 0.03 0.00 -0.03 0.10 -0.09 -0.12 -0.27 -0.12 -0.04 -0.19 -0.10 0.05 -0.07 0.06 0.10 0.11 0.32 0.09 -0.02 0.15 0.06 0.03 -0.02 -0.00 0.04 -0.14 0.03 0.05 -0.02 0.03 0.01 -0.04 -0.03 -0.01 -0.11 -0.06 -0.06 0.04 0.00 -0.01 -0.10 0.01 -0.06 -0.18 0.03 -0.02 -0.04 0.01 0.00 0.02 -0.11 0.04 -0.00 -0.00 -0.02 0.01 0.00 -0.03 -0.01 -0.01 0.01 -0.01 -0.01 -0.09 -0.02 0.03 0.06 -0.07 0.05 -0.06 0.01 0.16 0.13 -0.08 0.04 -0.04 0.00 0.02 0.12 0.01 -0.09 -0.07 0.04 0.01 0.04 0.02 -0.02 -0.10 0.04 -0.02 -0.08 -0.01 -0.03 -0.02 0.03 0.00 0.04 0.03 0.02 0.06 -0.00 0.01 0.01 0.02 0.00 0.03 0.03 0.01 0.01 0.02 -0.03 -0.11 -0.06 0.06 0.03 -0.10 0.13 -0.11 -0.21 0.15 -0.29 -0.02 -0.27 -0.05 0.21 0.02 0.09 -0.03 0.01 0.32 0.02 -0.13 -0.02 -0.01 -0.06 -0.00 0.04 -0.14 -0.12 0.03 0.03 0.11 0.19 -0.00 0.07 -0.07 0.05 0.13 0.18 -0.16 -0.12 0.04 -0.10 -0.22 -0.01 -0.06 -0.03 0.01 0.04 0.16 0.01 0.06 0.21 -0.00 0.04 0.04 0.02 0.04 0.17 0.03 0.03 0.13 -0.04 0.00 -0.01 0.06 -0.02 0.03 0.00 0.00 -0.01 0.01 0.02 -0.00 0.01 0.01 0.00 -0.06 -0.10 0.01 -0.06 -0.04 0.03 0.02 -0.01 0.04 -0.04 0.03 -0.02 -0.00 0.05 -0.04 -0.03 0.01 0.04 0.02 -0.04 -0.08 -0.06 0.04 0.03 -0.01 -0.05 -0.09 0.01 0.05 0.17 -0.00 0.01 -0.00 0.04 0.01 0.00 0.04 0.00 0.00 0.02 0.01 -0.00 0.04 -0.02 -0.06 0.05 -0.02 -0.06 0.00 0.04 0.16 0.10 -0.01 0.16 0.03 0.08 -0.01 -0.05 0.08 -0.13 0.07 -0.02 -0.09 -0.00 0.03 0.04 -0.03 0.03 0.07 0.06 0.06 -0.03 0.06 -0.09 -0.22 0.07 0.03 -0.07 -0.20 0.13 0.12 0.05 0.13 -0.01 0.01 0.07 0.00 -0.26 0.06 0.15 0.03 -0.15 -0.25 -0.01 0.01 -0.00 0.06 -0.06 -0.26 0.08 -0.06 -0.26 0.03 0.01 -0.00 0.07 -0.10 -0.35 0.09 -0.11 -0.33 0.00 -0.00 0.00 0.02 -0.02 0.08 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.05 -0.01 -0.02 0.00 -0.03 0.04 0.01 0.04 -0.04 0.00 -0.05 -0.09 0.03 0.02 -0.03 -0.02 0.01 0.03 0.01 -0.02 -0.03 -0.07 0.02 0.02 0.00 0.02 0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.02 0.04 0.04 0.03 0.09 -0.06 0.13 -0.04 0.14 -0.04 0.21 0.01 -0.09 0.07 0.06 -0.00 -0.00 -0.08 0.04 0.02 0.04 0.05 -0.04 -0.03 0.04 -0.06 -0.07 -0.08 0.03 0.05 -0.02 0.03 0.02 -0.08 0.03 0.04 0.83 -0.22 -0.16 0.05 0.12 0.12 0.01 0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.01 -0.02 0.01 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.01 0.03 -0.00 -0.00 -0.05 -0.01 0.00 -0.01 0.00 0.01 -0.00 -0.02 -0.00 -0.01 -0.01 0.00 0.07 0.12 -0.02 0.05 0.06 -0.00 -0.03 0.01 -0.06 0.03 0.02 0.06 -0.03 -0.03 0.01 0.01 0.02 0.01 -0.02 0.03 0.07 0.09 -0.04 -0.03 0.01 -0.08 -0.07 -0.02 0.04 0.12 0.00 -0.02 -0.00 -0.03 0.01 0.00 -0.03 0.02 0.00 -0.02 -0.01 0.01 -0.03 -0.01 -0.05 -0.02 -0.01 -0.05 -0.03 0.03 0.11 -0.10 0.01 -0.21 -0.06 -0.10 -0.00 -0.09 0.02 -0.10 -0.01 -0.18 0.02 0.01 0.01 0.00 0.01 -0.01 -0.01 -0.06 -0.11 0.03 -0.08 0.10 0.25 -0.06 -0.06 0.06 0.24 -0.13 -0.11 -0.01 -0.14 0.01 -0.00 -0.07 0.01 0.44 -0.14 -0.21 0.02 -0.17 -0.21 0.01 -0.03 -0.01 -0.03 -0.02 -0.20 -0.01 -0.03 -0.18 -0.03 0.00 0.01 -0.02 -0.08 -0.27 0.00 -0.07 -0.26 -0.01 0.00 -0.00 -0.04 0.10 -0.10 -0.01 -0.00 0.01 -0.01 0.01 0.02 0.02 0.01 -0.01 0.00 -0.09 0.06 -0.04 -0.01 -0.08 0.03 -0.08 0.13 -0.05 0.06 0.07 -0.02 0.01 0.03 0.01 -0.05 -0.04 0.00 0.01 -0.01 0.00 0.01 0.00 -0.02 -0.03 0.01 0.00 0.01 -0.02 0.00 0.02 0.01 0.02 0.01 -0.01 0.01 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.01 -0.01 0.11 -0.10 0.08 -0.00 -0.13 0.15 -0.17 0.08 -0.19 0.14 -0.18 -0.08 0.11 -0.13 -0.08 -0.00 -0.04 0.07 -0.00 0.08 -0.06 -0.00 -0.03 -0.17 0.01 0.15 0.06 -0.11 0.07 0.02 0.00 0.07 -0.04 0.12 0.03 -0.06 0.71 -0.07 -0.18 0.01 -0.08 -0.09 0.01 0.04 0.01 0.01 0.02 0.01 0.02 0.02 0.02 -0.01 -0.01 -0.01 0.00 0.00 0.04 0.02 0.00 0.05 -0.05 0.00 -0.01 0.08 -0.03 -0.02 -0.02 0.02 0.00 0.03 -0.04 -0.03 -0.02 0.01 0.02 0.10 -0.02 0.05 -0.07 0.05 0.03 -0.07 -0.05 0.09 -0.15 -0.07 -0.21 -0.15 0.03 -0.05 -0.07 0.10 0.11 -0.02 0.03 0.04 0.24 -0.04 -0.05 -0.08 0.01 0.00 -0.02 0.00 -0.01 0.02 -0.04 -0.02 0.05 0.02 -0.01 0.06 -0.03 0.01 -0.01 0.01 0.01 0.06 0.02 -0.00 0.07 -0.02 0.01 0.06 -0.00 0.01 -0.07 -0.07 -0.02 -0.12 -0.11 0.11 -0.09 -0.08 0.16 -0.11 0.32 -0.12 0.03 0.09 0.10 -0.08 0.13 0.22 -0.09 -0.06 -0.13 -0.10 0.07 0.05 -0.10 0.14 0.15 0.20 -0.02 -0.07 0.21 -0.03 -0.06 0.30 -0.03 -0.08 0.09 -0.03 -0.04 -0.03 0.17 0.20 0.06 -0.10 -0.06 0.08 0.01 0.03 0.12 -0.01 0.00 -0.02 0.02 0.02 0.04 0.02 0.01 0.07 -0.01 0.01 -0.02 -0.01 -0.00 -0.02 0.01 -0.13 -0.02 0.02 0.01 0.03 -0.04 -0.03 -0.02 0.01 0.01 -0.02 0.05 -0.05 -0.13 0.07 -0.01 0.14 0.04 -0.07 -0.06 -0.09 0.08 0.16 -0.10 0.04 -0.08 0.10 0.11 -0.01 -0.00 -0.01 -0.04 0.02 -0.01 -0.06 -0.13 0.06 -0.00 0.07 -0.02 0.02 -0.03 -0.02 0.12 0.11 -0.03 -0.06 0.10 -0.04 -0.02 0.01 0.01 0.10 -0.07 0.04 -0.07 -0.08 0.02 0.02 -0.06 0.01 -0.02 0.10 0.09 0.25 0.19 -0.11 0.33 -0.08 0.14 0.04 0.08 0.11 0.18 0.01 0.05 -0.11 0.15 0.41 0.01 -0.03 0.04 0.00 0.01 0.07 0.01 -0.10 -0.07 -0.05 0.03 0.00 -0.03 0.03 -0.02 -0.04 0.02 -0.01 0.02 -0.00 -0.15 -0.14 -0.15 0.06 0.07 -0.09 -0.06 0.08 0.15 -0.03 0.02 0.14 -0.03 -0.03 0.02 0.02 0.02 -0.11 0.06 -0.01 -0.11 0.06 -0.01 0.02 -0.01 -0.02 0.02 -0.10 -0.06 0.05 0.04 0.05 -0.05 -0.03 -0.03 0.04 0.03 -0.01 0.02 -0.02 -0.07 0.04 -0.02 0.08 -0.00 -0.02 0.00 -0.05 0.06 0.11 -0.11 0.07 -0.06 0.06 0.07 -0.00 -0.01 -0.02 -0.04 0.01 0.00 -0.02 -0.05 -0.01 -0.02 -0.08 0.02 0.05 -0.05 -0.04 -0.23 -0.12 0.03 0.21 -0.18 0.08 -0.01 0.00 0.01 -0.20 0.18 -0.07 0.25 0.13 -0.01 0.02 0.08 -0.02 -0.04 0.04 0.09 0.14 0.10 -0.05 0.18 -0.11 0.12 0.02 -0.05 0.12 0.11 -0.00 0.03 -0.09 0.07 0.27 0.01 -0.01 0.02 0.01 -0.01 0.01 0.01 -0.05 -0.05 -0.06 0.03 0.01 -0.03 0.03 -0.01 -0.03 0.02 -0.01 0.02 0.01 -0.10 -0.05 -0.08 -0.04 0.17 -0.16 -0.12 -0.12 -0.19 0.03 0.15 -0.21 0.06 -0.00 -0.00 0.00 -0.13 0.20 -0.10 0.17 0.17 -0.06 -0.03 0.01 -0.01 0.01 -0.00 -0.00 0.19 -0.16 -0.14 -0.11 0.08 0.06 0.10 -0.14 -0.08 0.01 0.04 -0.02 -0.06 0.01 0.02 0.03 0.02 -0.04 -0.06 -0.02 0.04 0.03 -0.03 0.01 0.02 0.04 -0.00 -0.00 0.02 0.02 0.03 -0.01 -0.02 -0.08 -0.02 0.00 -0.04 -0.01 -0.00 -0.15 0.12 0.11 -0.01 0.02 -0.00 0.06 -0.06 0.03 -0.03 0.01 0.02 0.00 0.06 -0.02 0.08 -0.01 0.01 0.06 0.01 0.01 -0.04 0.04 -0.01 0.07 0.06 -0.05 0.10 -0.01 0.03 -0.01 0.03 0.03 0.06 0.04 -0.00 0.06 0.18 0.05 -0.01 -0.02 0.02 -0.01 0.04 0.09 -0.01 -0.03 -0.00 0.05 -0.02 -0.03 0.02 -0.02 -0.01 0.02 -0.00 -0.00 0.06 -0.02 -0.04 -0.09 -0.03 0.00 -0.52 0.45 0.36 0.05 -0.02 0.02 0.10 -0.04 0.03 -0.11 0.10 0.09 -0.02 0.05 -0.02 0.05 0.01 -0.00 0.07 -0.00 0.01 0.01 0.00 -0.05 0.00 0.01 -0.00 0.08 -0.10 -0.06 0.11 -0.13 -0.08 -0.00 -0.05 0.03 -0.02 0.05 0.00 -0.00 -0.03 0.05 0.05 -0.01 -0.07 -0.03 0.02 -0.02 -0.06 0.10 0.08 -0.00 -0.03 -0.03 -0.01 -0.00 0.01 0.16 -0.07 0.03 0.13 -0.00 0.02 -0.06 0.05 0.04 -0.08 -0.09 0.01 -0.03 0.13 -0.05 -0.12 0.11 0.08 -0.10 -0.08 0.02 -0.04 0.11 -0.03 -0.15 0.00 -0.03 0.07 -0.05 0.03 -0.03 -0.06 0.06 -0.06 -0.03 0.05 -0.01 0.07 -0.04 0.03 0.08 0.07 -0.07 0.11 0.17 -0.00 0.00 -0.05 -0.00 -0.05 -0.10 -0.00 0.04 0.01 -0.08 0.04 0.02 0.02 0.04 -0.01 0.05 0.02 -0.02 -0.10 0.03 -0.05 0.20 -0.01 0.11 -0.22 0.18 0.15 -0.22 -0.01 -0.05 -0.17 0.07 -0.05 -0.36 0.35 0.26 -0.02 -0.04 0.03 0.05 0.05 0.02 -0.05 0.00 -0.01 -0.01 0.00 0.03 -0.13 0.08 0.09 0.18 -0.14 -0.10 0.14 -0.08 -0.09 0.00 0.03 -0.02 0.05 -0.05 -0.02 -0.01 0.02 -0.02 0.00 0.01 0.04 0.02 -0.02 0.02 -0.01 -0.12 -0.05 0.00 0.02 0.02 -0.01 0.01 0.00 -0.10 0.09 -0.04 -0.09 -0.00 -0.03 -0.01 0.05 0.01 0.06 0.07 0.00 0.01 -0.09 0.05 -0.12 0.17 0.09 0.07 0.05 -0.03 0.01 -0.09 0.01 0.10 0.00 0.04 -0.06 0.03 -0.02 -0.01 0.03 -0.03 0.01 0.00 -0.03 0.00 -0.09 0.04 -0.07 -0.13 -0.05 -0.04 -0.25 -0.13 0.01 0.01 0.04 0.01 0.02 0.05 0.01 -0.02 -0.00 0.05 -0.02 -0.00 -0.03 -0.02 0.01 -0.06 -0.02 0.01 -0.06 0.02 0.08 -0.13 0.05 -0.08 -0.02 0.13 0.04 0.16 0.01 0.06 0.10 -0.05 0.06 -0.42 0.45 0.28 0.02 0.02 -0.05 -0.06 -0.04 -0.04 -0.00 0.00 0.00 0.01 -0.02 0.04 -0.02 0.00 0.01 0.02 0.00 -0.01 0.02 0.01 -0.01 0.00 0.02 -0.01 -0.01 -0.04 -0.00 0.02 0.03 -0.04 -0.05 -0.02 0.00 -0.01 0.05 -0.02 -0.01 -0.05 -0.01 0.00 0.02 0.02 0.02 0.00 -0.01 -0.02 -0.08 0.03 -0.03 0.07 0.25 0.00 0.01 -0.01 0.00 -0.03 -0.15 0.03 -0.04 -0.14 0.00 0.02 0.00 -0.03 0.06 0.15 0.01 0.05 0.16 0.03 -0.07 -0.24 0.05 0.02 -0.08 0.00 -0.01 -0.02 -0.03 0.08 -0.09 0.05 0.01 -0.06 -0.05 -0.04 -0.00 -0.01 -0.07 -0.05 0.00 0.00 0.03 0.00 0.03 0.06 0.00 -0.01 0.00 0.05 -0.01 -0.01 0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.07 0.00 -0.20 -0.15 0.02 0.02 -0.01 0.02 -0.10 -0.46 0.07 -0.13 -0.46 -0.01 0.03 0.01 -0.05 0.09 0.28 -0.00 0.08 0.27 -0.02 -0.00 0.00 -0.02 0.02 -0.04 0.04 0.10 -0.00 -0.04 -0.09 -0.02 -0.07 -0.10 0.01 -0.00 -0.01 0.01 0.11 0.10 0.02 -0.03 -0.07 0.11 0.08 0.00 -0.04 0.03 -0.06 0.06 0.21 0.30 -0.03 0.00 -0.09 -0.12 -0.09 -0.00 0.02 -0.00 0.12 -0.08 -0.06 0.02 0.07 -0.02 -0.07 0.06 0.03 0.04 -0.03 -0.02 -0.09 -0.00 -0.09 -0.07 0.02 0.03 0.06 0.04 -0.04 -0.06 0.06 0.07 -0.02 -0.06 0.00 -0.09 0.05 -0.07 -0.11 0.12 -0.08 -0.09 0.03 0.11 -0.12 0.01 0.11 0.35 0.00 0.20 0.26 -0.11 -0.00 -0.11 -0.14 -0.01 -0.09 -0.11 -0.01 -0.09 -0.11 -0.10 -0.00 0.02 -0.06 -0.01 0.03 -0.10 0.02 0.05 -0.02 0.00 -0.16 0.01 0.14 -0.05 -0.09 -0.16 0.04 0.11 -0.05 -0.19 0.05 -0.11 -0.18 -0.10 -0.03 0.07 -0.00 0.02 -0.01 -0.12 -0.02 -0.00 0.00 -0.00 0.00 -0.01 0.02 -0.09 0.03 -0.09 -0.03 0.00 0.06 0.01 0.03 0.05 -0.00 0.01 -0.02 -0.00 -0.02 -0.01 -0.00 -0.08 -0.05 0.03 0.15 0.06 -0.04 0.05 -0.17 0.09 -0.19 -0.07 0.13 -0.00 0.02 0.03 0.01 0.00 0.00 0.04 0.23 -0.17 -0.00 0.02 0.05 -0.00 0.03 -0.04 0.03 -0.04 0.02 -0.04 -0.03 0.01 0.06 0.03 -0.01 0.04 -0.02 0.06 -0.06 -0.00 0.04 0.00 -0.01 -0.07 -0.26 -0.00 0.08 -0.06 0.04 -0.01 0.06 -0.24 0.20 -0.07 -0.18 0.19 -0.07 -0.09 0.12 -0.18 0.01 0.23 0.00 0.06 0.03 0.00 0.01 -0.02 -0.00 0.06 0.05 0.01 0.00 0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 0.01 -0.06 0.10 0.31 -0.07 -0.01 0.11 0.00 0.06 -0.11 -0.25 -0.03 -0.11 -0.26 0.08 -0.00 -0.04 0.10 -0.04 -0.11 -0.09 -0.02 -0.12 -0.00 0.00 -0.00 -0.00 -0.02 0.00 0.00 -0.04 -0.01 0.00 0.02 -0.00 0.01 0.02 -0.00 0.02 0.11 -0.04 0.01 0.01 0.00 0.03 0.04 0.12 0.01 -0.07 -0.05 0.03 0.04 0.04 -0.08 -0.04 0.06 0.01 -0.05 -0.10 -0.05 0.04 0.00 0.01 -0.03 0.03 -0.01 -0.00 -0.02 -0.00 0.01 -0.02 -0.00 0.03 0.01 -0.00 -0.02 0.00 0.02 0.02 -0.00 -0.01 0.03 -0.01 -0.00 -0.02 -0.01 0.02 -0.00 0.01 0.18 -0.05 -0.34 -0.16 -0.37 0.28 -0.32 -0.02 -0.11 0.36 -0.12 -0.18 -0.09 -0.04 0.06 -0.07 -0.03 0.02 -0.01 -0.14 -0.13 -0.02 0.00 0.04 -0.02 -0.13 -0.12 0.15 -0.06 0.00 -0.07 -0.07 0.06 -0.24 -0.01 0.09 -0.07 -0.00 -0.02 -0.02 0.02 0.12 -0.01 0.05 0.00 0.01 0.01 -0.04 0.01 0.01 0.07 0.03 0.01 -0.01 -0.03 -0.00 -0.06 -0.03 0.00 0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.01 0.02 0.00 -0.00 -0.01 0.01 -0.00 -0.02 -0.00 0.02 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.03 -0.02 -0.00 -0.00 0.01 0.02 0.00 -0.00 -0.01 0.00 0.00 -0.09 -0.01 0.00 0.06 0.00 0.00 0.00 -0.00 0.00 -0.09 -0.02 -0.00 0.06 0.01 0.00 0.02 0.02 -0.00 -0.01 0.00 -0.01 0.01 -0.01 0.01 -0.02 -0.02 -0.01 0.01 -0.02 0.00 0.02 -0.01 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.02 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.01 0.03 0.00 0.03 -0.02 0.02 0.01 -0.04 0.15 0.51 0.04 -0.12 -0.38 0.00 0.01 0.00 -0.10 0.16 0.55 0.01 -0.12 -0.41 -0.01 -0.00 -0.01 -0.01 0.01 -0.04 0.01 -0.02 -0.01 -0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.05 0.02 0.04 -0.00 -0.01 -0.02 0.00 -0.03 0.08 0.00 -0.02 -0.03 0.02 -0.02 -0.05 0.02 0.08 -0.00 0.01 0.04 -0.00 -0.01 0.01 0.12 -0.04 0.03 -0.00 0.02 0.09 0.00 -0.01 -0.02 -0.01 0.09 -0.07 -0.02 -0.10 -0.07 0.01 0.01 0.00 -0.05 0.11 -0.06 -0.06 -0.12 -0.06 0.06 0.01 0.07 0.03 0.00 0.03 -0.02 0.05 -0.06 -0.01 0.02 -0.00 -0.09 -0.02 0.03 -0.07 0.06 0.10 -0.04 0.02 0.03 0.01 0.07 0.03 0.01 -0.03 -0.08 0.02 0.09 0.07 -0.08 0.03 0.01 -0.00 0.03 -0.02 0.08 0.00 -0.03 -0.02 0.01 -0.03 0.16 -0.13 -0.12 -0.05 0.05 0.02 -0.00 0.13 0.14 -0.04 0.07 0.51 0.02 0.00 -0.00 -0.19 0.11 0.16 -0.22 0.12 0.54 0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.04 -0.02 -0.02 -0.03 -0.00 0.00 -0.01 0.03 -0.04 -0.01 -0.03 0.04 -0.05 0.04 0.02 0.02 -0.00 0.00 0.00 -0.02 0.00 0.01 -0.01 -0.10 0.10 -0.04 -0.01 0.03 0.10 0.00 -0.00 0.00 0.02 -0.11 -0.05 0.02 0.03 -0.08 -0.00 -0.00 0.00 0.05 -0.11 -0.03 0.05 0.06 -0.07 -0.06 0.03 0.06 -0.07 -0.00 -0.03 -0.01 -0.04 0.04 -0.02 -0.03 -0.03 0.08 -0.10 0.02 -0.01 0.04 0.01 0.02 0.02 -0.03 -0.00 -0.04 -0.01 -0.00 0.02 0.06 -0.01 -0.06 -0.05 0.08 -0.03 -0.01 0.00 -0.03 0.02 -0.08 -0.01 0.03 0.04 -0.01 0.04 -0.09 -0.11 -0.34 -0.01 -0.00 0.01 -0.03 0.01 0.39 -0.06 0.13 0.33 -0.00 -0.00 0.00 0.12 0.07 0.46 0.06 0.15 0.41 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.02 0.02 -0.01 0.01 -0.00 -0.03 0.03 0.02 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.01 0.12 -0.11 -0.08 0.00 -0.00 0.01 0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.01 0.00 0.01 -0.01 -0.00 0.01 -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 -0.00 -0.00 0.00 -0.00 -0.02 -0.02 -0.03 -0.59 0.63 0.45 0.00 -0.01 -0.02 0.00 -0.00 -0.01 -0.08 0.08 0.06 0.01 -0.01 -0.03 0.01 -0.00 -0.02 0.00 0.00 -0.00 0.01 -0.01 0.03 -0.01 -0.02 -0.00 0.01 0.00 0.02 0.01 0.01 -0.00 0.04 0.07 0.02 0.03 0.12 0.04 -0.00 -0.11 0.10 -0.04 0.09 0.02 -0.03 -0.05 -0.07 -0.02 -0.07 -0.08 0.01 -0.04 -0.09 -0.03 0.04 0.01 0.02 -0.06 -0.05 0.00 0.01 0.05 0.01 0.00 -0.01 -0.00 0.01 -0.02 0.00 -0.00 -0.02 0.01 0.01 -0.00 -0.01 0.01 -0.01 -0.00 -0.01 -0.02 0.00 -0.00 0.01 -0.20 -0.04 0.33 0.26 0.12 0.05 0.34 -0.01 0.15 -0.20 0.33 0.02 0.09 -0.20 -0.13 -0.05 -0.11 0.05 -0.02 -0.17 -0.13 -0.03 0.02 0.08 -0.05 -0.13 -0.10 0.16 -0.06 -0.03 -0.15 -0.05 0.05 -0.16 -0.04 0.03 -0.04 -0.01 -0.10 0.09 0.15 0.21 0.01 0.05 0.01 -0.01 0.02 0.01 0.00 0.02 0.06 0.00 -0.02 -0.03 -0.05 0.02 0.05 -0.02 0.04 0.16 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.03 0.02 0.00 -0.02 0.02 0.02 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.01 0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.02 0.02 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.11 -0.11 -0.08 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.03 0.02 0.02 -0.00 0.02 0.01 -0.00 -0.01 0.02 -0.00 -0.06 0.03 0.04 0.01 -0.01 -0.05 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 0.02 -0.01 -0.00 -0.01 -0.01 0.01 -0.02 -0.00 0.01 -0.00 0.00 -0.02 -0.01 -0.03 -0.03 0.08 -0.10 -0.07 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.60 0.61 0.44 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 0.02 -0.10 0.01 -0.02 0.01 -0.01 0.02 -0.05 0.01 -0.01 0.00 0.02 0.02 -0.01 0.12 -0.04 0.02 0.01 -0.06 0.02 -0.04 0.01 0.02 -0.05 0.03 -0.05 0.05 -0.04 0.18 0.01 0.00 -0.01 -0.03 0.03 0.00 -0.04 0.01 0.06 -0.01 -0.01 -0.03 -0.03 0.00 -0.02 0.00 -0.01 0.00 0.01 0.01 0.00 -0.01 0.03 0.02 0.01 -0.01 0.02 0.02 0.02 0.01 -0.00 -0.00 -0.01 -0.02 -0.03 0.23 0.14 0.12 -0.04 0.14 0.10 -0.03 -0.10 0.15 -0.02 -0.42 0.22 0.32 0.12 -0.07 -0.37 -0.00 -0.03 -0.01 0.01 0.01 0.03 -0.00 -0.02 -0.01 0.12 -0.06 -0.02 -0.10 -0.05 0.04 -0.14 -0.03 0.03 -0.04 0.02 -0.11 -0.09 -0.22 -0.25 -0.03 -0.03 -0.04 0.01 -0.02 0.01 0.00 0.01 -0.01 0.18 -0.10 -0.06 0.04 -0.04 -0.11 0.05 -0.03 -0.12 -0.00 -0.00 -0.00 -0.01 0.01 -0.05 0.00 -0.01 0.01 -0.00 0.01 -0.02 -0.00 0.00 -0.00 0.04 -0.02 0.09 0.06 0.05 0.03 0.02 0.10 -0.08 0.00 -0.01 0.05 -0.04 -0.00 0.00 0.02 -0.04 0.04 0.02 -0.07 -0.03 -0.02 -0.02 0.07 -0.06 -0.05 -0.09 -0.04 0.02 0.04 -0.01 -0.00 -0.01 0.00 -0.02 0.01 0.01 0.02 0.00 0.01 0.01 -0.00 0.02 -0.04 -0.00 0.03 0.02 -0.04 -0.01 0.00 0.01 0.05 0.08 -0.28 -0.01 -0.09 0.01 -0.08 -0.05 0.05 -0.12 -0.05 0.06 -0.13 0.00 0.07 0.04 -0.05 -0.13 -0.01 -0.02 -0.15 -0.03 -0.09 -0.20 -0.00 0.13 0.09 -0.16 0.05 -0.08 -0.28 0.11 -0.03 0.30 -0.03 -0.15 -0.03 0.01 -0.12 -0.11 0.32 0.46 -0.01 0.01 -0.00 0.01 -0.04 -0.04 0.03 0.01 -0.07 0.02 0.02 0.01 0.05 0.01 0.12 0.04 0.07 0.21 0.00 -0.00 -0.00 -0.01 0.01 -0.03 0.00 0.01 0.01 -0.00 0.00 -0.02 -0.01 -0.01 0.00 -0.04 -0.04 -0.10 0.01 -0.02 0.01 -0.01 -0.06 0.03 -0.01 0.01 0.02 0.04 0.03 0.02 0.03 -0.01 0.03 -0.01 0.08 0.07 -0.01 -0.01 -0.06 -0.01 -0.06 -0.07 -0.01 0.00 0.02 0.00 -0.01 0.00 -0.00 0.01 0.02 0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.03 0.01 -0.00 -0.04 -0.00 0.00 0.01 0.09 -0.06 0.19 -0.12 0.08 -0.07 -0.05 0.06 -0.09 0.18 -0.03 -0.07 -0.10 0.07 0.07 0.06 0.00 -0.11 0.01 0.04 0.14 0.02 0.09 0.18 -0.00 -0.05 -0.01 -0.03 0.02 0.12 0.34 -0.05 -0.00 -0.21 0.07 0.14 -0.04 0.01 -0.02 0.01 0.36 0.52 -0.01 0.00 0.01 0.02 -0.03 -0.12 0.03 -0.01 -0.12 0.02 0.01 0.01 -0.02 0.05 0.19 -0.00 0.06 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 -0.01 -0.00 -0.00 0.03 -0.02 -0.03 0.02 0.03 0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.02 -0.00 -0.01 -0.00 0.04 0.02 0.02 -0.05 -0.02 -0.01 -0.01 -0.02 -0.04 -0.01 0.01 0.04 -0.00 -0.00 0.00 0.01 -0.03 -0.08 0.01 -0.01 -0.07 0.00 0.00 -0.01 -0.01 0.01 0.08 0.00 0.02 0.05 -0.00 -0.00 -0.02 0.06 -0.01 0.00 -0.03 0.00 -0.02 -0.05 -0.00 -0.02 -0.01 -0.05 0.02 -0.00 -0.02 -0.01 -0.00 -0.01 -0.00 -0.04 -0.10 -0.14 -0.07 0.09 0.10 -0.07 0.06 0.12 -0.16 0.06 0.10 0.15 0.02 -0.01 -0.07 0.07 0.06 -0.02 -0.00 -0.04 -0.01 0.12 0.16 0.01 0.01 0.01 -0.03 0.11 0.50 -0.03 0.11 0.37 0.00 0.01 0.00 0.05 -0.13 -0.45 0.06 -0.09 -0.32 0.00 0.00 0.00 0.00 0.00 -0.02 0.01 0.01 0.02 0.01 0.02 -0.01 -0.04 -0.02 -0.01 -0.09 0.04 0.03 -0.03 -0.04 0.00 -0.02 -0.00 0.02 -0.00 0.02 0.02 0.04 0.00 0.00 0.03 -0.00 0.02 -0.09 -0.02 -0.03 0.11 0.02 0.01 0.01 -0.03 -0.04 0.00 0.00 0.02 0.00 -0.01 0.02 0.00 -0.01 -0.04 0.00 -0.00 -0.03 0.00 0.02 -0.02 -0.01 0.02 0.03 -0.01 0.00 0.02 -0.00 -0.00 -0.01 -0.05 0.00 0.01 -0.00 -0.02 0.04 0.03 0.02 -0.03 0.06 -0.01 -0.01 -0.07 0.03 0.04 0.05 0.02 -0.06 0.10 0.27 0.39 0.18 -0.18 -0.18 0.18 -0.17 -0.30 0.30 -0.11 -0.18 -0.21 -0.05 0.01 0.14 -0.11 -0.11 0.01 0.01 0.06 0.05 0.15 0.20 0.03 0.02 0.03 -0.01 0.06 0.23 -0.01 0.05 0.16 0.04 0.04 0.01 -0.00 -0.05 -0.20 0.01 -0.04 -0.12 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.07 0.01 -0.12 -0.13 -0.13 -0.01 0.30 0.19 0.16 -0.04 0.00 -0.00 0.02 -0.00 0.01 0.00 -0.01 0.00 0.01 -0.01 0.00 0.00 0.01 0.01 0.00 0.03 -0.02 -0.04 0.00 -0.00 0.03 0.00 0.00 -0.01 -0.01 -0.02 -0.01 0.00 0.01 -0.01 0.10 -0.16 0.00 -0.01 -0.04 -0.00 0.01 0.02 -0.06 -0.17 0.16 -0.00 0.01 0.04 0.01 -0.00 -0.02 -0.00 -0.00 -0.00 0.06 -0.02 0.04 -0.02 0.01 -0.02 -0.04 0.02 -0.03 0.03 -0.03 -0.01 0.06 0.12 0.00 -0.02 -0.04 -0.01 0.04 0.11 0.18 0.08 -0.06 -0.04 0.07 -0.08 -0.12 0.08 -0.03 -0.05 -0.05 -0.01 0.00 0.05 -0.03 -0.03 -0.03 0.01 -0.05 -0.01 0.07 0.10 -0.38 -0.20 -0.20 -0.01 0.05 0.24 0.02 -0.02 -0.11 -0.27 -0.32 -0.02 0.02 -0.06 -0.22 -0.01 0.04 0.13 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 0.03 0.02 0.02 -0.00 -0.00 0.00 0.01 0.02 0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.00 0.01 -0.02 -0.01 0.01 0.07 0.01 -0.02 -0.10 -0.00 -0.02 0.01 0.01 -0.02 -0.07 -0.01 0.02 0.09 0.01 -0.00 -0.00 -0.02 0.00 0.01 -0.03 0.01 -0.02 -0.00 -0.00 0.01 0.04 0.01 -0.02 -0.01 0.00 0.00 0.01 -0.02 -0.02 0.01 0.01 0.03 0.01 -0.01 0.00 0.01 -0.02 -0.02 -0.03 0.01 -0.01 -0.01 0.01 -0.01 0.05 -0.00 -0.02 -0.01 0.00 -0.03 0.00 0.04 0.05 -0.04 -0.02 -0.02 0.04 -0.11 -0.40 -0.05 0.16 0.55 -0.03 -0.03 -0.00 -0.03 0.11 0.39 0.06 -0.14 -0.50 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.02 -0.00 0.02 0.01 0.02 -0.01 -0.00 -0.01 -0.01 -0.01 -0.02 0.05 0.10 0.02 0.11 -0.06 -0.04 0.01 -0.05 -0.06 -0.11 0.02 0.08 -0.03 -0.01 -0.01 -0.04 0.06 -0.03 0.00 -0.02 0.05 -0.01 0.03 0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.34 -0.07 0.29 -0.02 0.16 -0.18 -0.27 0.02 -0.04 -0.03 -0.23 0.05 0.03 -0.09 -0.04 -0.05 -0.05 0.04 0.05 -0.02 0.25 0.10 0.07 0.27 0.05 -0.32 -0.30 -0.14 0.04 -0.06 -0.16 0.09 -0.04 0.24 -0.03 -0.12 -0.03 -0.01 -0.13 -0.04 -0.03 -0.06 0.03 0.02 -0.00 -0.02 -0.00 -0.01 0.01 -0.01 -0.03 0.00 0.01 -0.01 0.03 -0.00 0.01 -0.01 0.02 0.01 0.00 0.00 0.00 0.01 -0.00 -0.02 -0.00 -0.00 0.02 -0.02 0.01 -0.06 0.01 0.00 0.01 0.00 0.00 0.02 -0.06 0.09 0.07 -0.11 -0.01 0.00 -0.05 0.03 -0.05 0.14 -0.01 0.03 0.06 -0.07 0.01 0.01 0.03 -0.04 0.01 -0.07 0.05 0.03 -0.01 0.04 0.03 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.01 0.01 -0.00 -0.01 0.01 -0.02 0.02 -0.00 -0.01 -0.02 -0.00 -0.00 -0.01 0.00 -0.38 0.04 -0.05 -0.22 0.03 -0.05 0.05 0.02 -0.09 0.30 0.01 -0.10 -0.19 -0.09 0.03 0.10 -0.04 -0.21 -0.01 -0.15 -0.03 -0.02 0.10 0.22 -0.05 -0.16 -0.09 -0.35 0.13 0.01 0.00 0.15 -0.08 0.37 0.05 -0.10 -0.02 -0.00 -0.11 0.12 -0.09 -0.13 0.00 0.01 0.00 0.00 0.03 0.05 -0.00 -0.02 -0.07 0.05 0.01 0.04 -0.05 -0.00 -0.05 -0.00 -0.01 0.04 -0.00 0.00 -0.00 -0.02 0.00 0.01 -0.01 -0.03 -0.04 0.07 -0.02 0.13 -0.03 0.00 -0.04 0.03 -0.04 0.00 0.17 0.07 -0.02 -0.15 -0.06 -0.03 0.02 -0.07 0.00 0.12 0.09 -0.03 -0.09 0.05 -0.01 -0.02 -0.03 0.04 -0.01 0.02 0.03 -0.06 -0.03 0.03 -0.06 0.01 -0.01 -0.04 -0.01 -0.03 -0.00 -0.02 -0.00 0.00 0.01 -0.00 0.03 0.03 -0.02 0.01 -0.03 0.01 0.03 0.03 -0.01 -0.00 -0.00 0.00 -0.23 -0.02 0.16 -0.27 0.16 -0.17 0.07 0.19 -0.21 0.36 0.11 -0.20 0.23 0.01 -0.06 -0.16 -0.09 0.20 0.01 0.13 0.05 0.04 -0.11 -0.20 0.06 0.11 0.06 0.04 -0.03 -0.05 -0.18 -0.00 0.02 0.03 -0.06 -0.04 -0.04 -0.01 -0.15 -0.19 -0.09 0.00 -0.02 -0.01 -0.04 0.06 -0.04 0.07 0.01 0.02 -0.02 -0.10 -0.02 -0.10 0.03 -0.03 -0.02 0.07 0.01 0.01 0.00 -0.00 0.00 -0.01 -0.01 0.01 0.00 -0.02 0.01 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.10 -0.02 -0.02 0.06 0.16 0.06 0.01 0.07 0.05 0.04 -0.02 0.04 -0.00 -0.04 -0.06 -0.00 -0.04 -0.01 -0.06 -0.02 0.02 0.04 -0.06 -0.08 -0.02 0.02 0.02 -0.02 0.01 0.00 -0.00 0.00 -0.01 0.01 0.01 -0.01 0.00 -0.02 0.01 0.01 0.00 -0.00 0.01 -0.03 0.01 0.01 0.02 -0.01 -0.01 0.00 -0.00 0.19 0.00 -0.16 0.06 -0.20 0.20 0.06 -0.16 0.17 -0.07 0.18 -0.04 -0.05 -0.13 -0.03 0.00 -0.07 -0.06 0.04 0.22 0.20 0.07 -0.14 -0.22 0.09 0.03 -0.05 -0.15 0.07 0.16 0.46 -0.02 -0.05 -0.04 0.11 0.10 -0.07 -0.02 -0.28 -0.11 -0.16 -0.20 0.02 0.02 -0.00 -0.01 0.02 0.01 -0.02 -0.04 -0.01 0.02 0.01 0.01 0.01 -0.03 0.01 -0.01 0.04 -0.00 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.02 -0.00 -0.00 0.01 0.02 0.01 0.01 0.01 0.01 0.00 -0.01 0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.01 -0.01 0.01 -0.00 0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.09 -0.25 0.06 -0.04 0.26 -0.07 0.00 0.00 -0.00 -0.00 0.18 -0.05 -0.04 -0.18 0.04 0.16 -0.01 0.02 0.04 0.00 -0.03 0.03 -0.04 0.04 0.01 -0.03 0.03 -0.03 0.04 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.00 0.03 0.02 0.01 -0.02 -0.03 0.01 0.01 -0.01 -0.03 0.01 0.03 0.08 -0.00 -0.01 -0.01 0.02 0.02 -0.01 -0.00 -0.04 -0.06 -0.03 -0.04 -0.01 0.00 -0.00 0.17 -0.43 0.14 0.21 0.36 -0.14 -0.01 -0.00 -0.01 0.24 0.29 -0.06 0.18 -0.32 0.14 0.00 -0.00 0.00 -0.01 0.01 -0.06 -0.06 0.01 -0.04 0.14 -0.05 0.28 -0.03 0.02 -0.06 -0.03 0.02 0.02 -0.06 -0.08 0.07 0.01 0.05 0.04 0.01 0.03 0.04 -0.02 -0.03 -0.04 0.08 0.00 0.01 0.01 0.04 -0.05 0.02 -0.05 -0.01 0.02 0.00 -0.02 0.02 -0.00 0.00 -0.13 -0.04 -0.15 0.00 0.01 -0.00 0.00 -0.01 0.00 0.06 0.07 -0.02 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.03 0.02 -0.15 0.06 -0.12 0.13 0.05 -0.09 0.11 -0.11 0.10 0.01 -0.02 0.28 0.12 0.10 -0.01 -0.15 -0.00 -0.15 0.00 -0.01 0.13 0.27 -0.06 -0.20 -0.14 -0.17 0.07 0.05 0.16 0.06 -0.05 0.15 0.06 -0.01 0.04 0.02 0.10 0.05 0.03 0.00 -0.30 -0.14 -0.17 -0.02 0.03 -0.01 -0.01 -0.02 0.00 -0.26 -0.07 -0.25 -0.02 -0.00 0.00 -0.03 0.01 -0.01 0.00 0.00 0.00 0.02 -0.03 0.05 -0.01 -0.01 0.01 0.03 -0.01 0.06 -0.00 0.01 -0.02 0.01 -0.01 -0.01 -0.04 0.12 -0.02 0.06 -0.02 -0.06 -0.13 0.06 -0.11 0.01 -0.05 0.14 0.07 -0.03 0.02 -0.01 -0.07 0.06 -0.01 0.05 -0.03 0.02 -0.01 0.02 0.03 -0.02 -0.01 -0.06 -0.01 -0.07 0.01 0.02 -0.00 0.00 0.01 0.00 0.03 0.02 -0.00 -0.01 0.02 -0.01 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.10 0.03 0.03 0.07 0.07 -0.10 -0.11 0.05 -0.11 0.05 -0.33 0.14 -0.16 -0.05 0.04 0.11 0.00 -0.20 -0.00 0.20 -0.04 -0.02 -0.18 -0.40 0.07 0.29 0.21 0.20 -0.06 -0.01 0.01 -0.09 0.05 -0.24 -0.02 0.07 -0.07 -0.02 -0.14 0.23 0.04 -0.01 -0.14 -0.06 -0.07 -0.02 0.03 -0.03 -0.01 -0.00 -0.02 -0.05 -0.01 -0.06 -0.05 0.01 -0.00 0.01 -0.02 0.01 0.00 -0.00 0.00 -0.01 0.05 -0.14 -0.02 0.02 -0.03 0.01 0.00 0.01 -0.00 -0.01 0.01 -0.05 -0.02 0.08 -0.13 0.04 0.34 -0.04 -0.02 -0.08 0.09 -0.11 -0.02 0.02 0.09 -0.01 0.03 -0.07 -0.10 0.05 -0.05 -0.01 0.04 0.09 -0.05 0.01 0.03 0.00 0.02 0.02 0.00 0.04 0.01 0.04 0.00 -0.01 -0.00 0.01 -0.02 0.01 -0.02 -0.01 -0.01 0.00 0.01 -0.00 -0.02 -0.02 0.00 -0.03 0.01 -0.01 0.27 -0.05 0.21 -0.07 0.13 -0.16 -0.12 0.06 -0.06 -0.02 -0.18 0.06 0.08 0.07 -0.05 -0.01 -0.17 -0.02 -0.04 -0.10 -0.20 -0.09 0.01 -0.03 -0.06 0.12 0.16 0.42 -0.12 -0.02 -0.01 -0.16 0.09 -0.27 -0.06 0.05 0.05 0.03 -0.10 -0.13 -0.07 -0.07 0.10 0.07 0.05 -0.01 0.01 0.01 0.04 -0.01 0.01 -0.06 -0.03 -0.04 0.08 0.05 -0.00 -0.04 -0.01 0.00 -0.04 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 -0.02 -0.00 0.03 -0.00 -0.00 -0.01 0.01 0.01 -0.01 0.01 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.03 -0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.10 -0.04 -0.00 -0.08 0.06 -0.02 -0.00 -0.00 -0.00 0.01 -0.12 0.04 0.03 0.12 -0.03 0.35 -0.03 0.04 -0.01 -0.00 0.01 -0.01 0.01 -0.01 -0.03 -0.03 0.02 -0.00 -0.02 0.02 -0.01 0.01 -0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.02 -0.01 0.00 0.00 -0.01 0.01 0.01 0.04 -0.01 -0.00 -0.00 -0.02 0.01 -0.03 -0.01 0.01 0.01 0.00 0.01 0.04 -0.01 -0.01 -0.00 0.00 0.00 -0.32 0.10 -0.03 -0.33 -0.05 -0.03 -0.01 -0.00 -0.00 -0.42 -0.35 0.05 -0.34 0.39 -0.15 -0.00 -0.00 0.00 0.00 -0.01 0.02 0.00 -0.01 0.03 -0.01 0.00 -0.01 0.00 0.01 -0.01 -0.06 0.08 0.07 -0.03 0.01 -0.05 -0.02 -0.04 -0.00 0.07 -0.09 -0.01 -0.01 0.09 0.03 0.00 0.01 0.01 0.01 -0.02 -0.03 0.02 -0.05 -0.03 0.00 0.01 -0.01 -0.01 0.03 -0.01 -0.03 -0.01 -0.03 -0.02 -0.02 0.01 0.01 -0.02 0.00 0.01 0.01 0.01 0.01 -0.02 0.01 -0.01 -0.00 0.00 0.01 0.01 -0.00 -0.28 0.02 0.07 0.47 0.01 0.11 0.18 0.40 -0.31 -0.13 -0.26 0.16 -0.07 -0.12 -0.02 0.04 0.13 0.02 -0.01 -0.05 -0.09 -0.03 -0.01 -0.04 -0.02 -0.01 -0.00 -0.11 0.04 0.08 0.23 0.02 -0.05 0.07 0.07 0.03 0.01 -0.01 0.02 -0.17 0.04 0.11 -0.06 -0.03 -0.03 -0.03 -0.01 -0.02 0.07 0.01 0.01 0.04 0.02 0.03 0.10 0.02 0.01 -0.10 0.06 -0.03 0.00 0.00 -0.00 -0.01 0.01 -0.04 -0.02 0.00 -0.07 0.01 -0.00 0.02 -0.01 -0.02 0.02 -0.01 0.03 0.04 0.09 -0.06 0.07 0.02 0.02 -0.00 -0.06 0.03 -0.06 -0.01 -0.01 0.05 -0.05 0.01 -0.02 -0.02 -0.00 -0.02 -0.01 -0.04 -0.03 0.00 -0.00 0.01 -0.01 -0.05 0.01 0.06 0.02 0.06 0.04 0.03 0.00 -0.04 0.03 -0.01 -0.02 -0.02 -0.01 -0.04 0.02 -0.01 0.04 0.02 -0.00 -0.00 -0.03 0.01 -0.22 0.06 -0.12 0.24 -0.04 0.08 0.07 0.17 -0.15 -0.08 -0.17 0.12 0.18 0.27 0.04 -0.14 -0.31 0.03 0.01 0.02 0.06 0.04 -0.03 -0.01 0.03 -0.05 -0.08 -0.13 0.05 0.10 0.21 0.01 -0.03 0.01 0.07 0.04 -0.01 0.01 0.02 0.17 0.04 0.01 0.22 0.14 0.07 0.22 -0.09 0.01 -0.21 -0.05 -0.01 -0.04 -0.03 -0.03 -0.28 -0.09 0.00 0.26 -0.12 0.06 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 0.05 -0.01 0.00 -0.01 0.01 0.01 -0.01 -0.02 -0.01 0.01 -0.05 0.03 -0.03 -0.02 -0.01 0.00 0.07 -0.03 0.02 0.00 0.02 -0.02 0.02 -0.00 0.01 0.02 0.00 -0.00 0.01 0.02 0.01 -0.00 0.02 -0.01 -0.04 -0.04 0.01 -0.04 -0.01 -0.04 0.07 0.02 0.00 -0.07 0.03 -0.02 0.01 0.01 0.00 -0.05 0.02 -0.01 0.07 0.03 -0.00 -0.01 -0.03 0.01 0.18 -0.04 0.09 -0.06 0.01 -0.01 0.01 -0.01 0.03 -0.06 -0.04 0.03 -0.10 -0.19 -0.04 0.08 0.21 0.01 -0.01 -0.05 -0.05 -0.03 0.04 0.04 -0.04 0.00 0.03 0.08 -0.03 -0.03 -0.06 -0.02 0.02 -0.01 -0.03 -0.01 0.01 -0.01 0.00 -0.05 -0.00 -0.02 -0.14 -0.09 -0.05 0.39 -0.19 0.06 -0.38 -0.11 -0.01 0.04 0.03 0.03 -0.40 -0.13 0.01 0.42 -0.19 0.10 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.05 -0.04 -0.00 -0.02 -0.03 0.02 -0.06 -0.00 -0.08 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.03 0.03 -0.02 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 -0.00 0.06 -0.06 0.18 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.05 -0.01 0.01 -0.04 0.00 -0.02 -0.01 -0.03 0.02 0.00 0.00 0.00 0.05 0.09 -0.00 0.02 0.02 -0.02 -0.00 -0.02 -0.01 -0.01 0.01 0.02 -0.01 -0.00 0.01 0.03 -0.01 -0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.01 0.00 0.00 0.01 0.01 0.01 0.45 0.48 -0.08 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.46 0.11 0.49 -0.00 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 -0.01 0.00 -0.01 0.01 0.01 -0.01 -0.07 -0.09 0.12 0.09 0.01 -0.05 -0.09 0.07 -0.01 -0.07 0.04 -0.05 0.10 -0.03 -0.02 -0.02 0.03 0.01 0.03 0.05 -0.06 0.03 0.04 -0.03 -0.01 -0.04 0.03 -0.05 -0.02 -0.01 -0.01 -0.01 -0.00 -0.02 0.01 -0.00 0.01 0.01 -0.00 0.00 0.01 -0.01 0.02 -0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.40 -0.03 0.04 -0.09 -0.09 0.08 0.13 -0.01 -0.03 -0.31 -0.36 0.33 0.02 -0.11 -0.03 -0.03 -0.01 0.02 -0.00 -0.21 -0.03 -0.00 0.13 0.24 -0.11 -0.16 -0.07 0.19 -0.06 0.03 0.05 -0.12 0.05 -0.12 -0.03 0.02 -0.01 0.00 -0.00 0.20 -0.00 -0.00 -0.08 -0.07 -0.01 -0.08 0.04 -0.05 0.18 0.09 -0.01 0.02 0.02 0.00 0.12 0.04 0.00 -0.02 0.02 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.02 -0.01 0.01 -0.01 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 0.00 0.00 0.01 0.01 0.00 0.00 -0.03 -0.00 -0.00 0.00 0.00 0.00 0.05 -0.02 0.01 0.06 0.02 -0.00 -0.00 -0.00 0.00 -0.04 -0.02 0.00 -0.04 0.03 -0.01 -0.03 -0.00 -0.00 0.06 -0.01 0.00 -0.02 -0.01 0.01 0.05 0.03 -0.02 -0.01 -0.01 0.00 -0.01 0.03 0.01 0.00 -0.02 -0.01 -0.00 -0.00 -0.02 -0.02 0.01 0.00 -0.01 0.02 0.02 0.00 -0.00 -0.02 -0.04 0.01 -0.00 0.02 -0.01 -0.02 -0.01 -0.00 -0.03 0.05 -0.00 -0.02 0.04 0.04 0.01 0.43 -0.27 0.10 0.48 0.22 -0.01 -0.03 -0.02 -0.02 -0.41 -0.19 0.02 -0.37 0.25 -0.11 -0.00 0.00 -0.00 0.02 -0.01 0.05 -0.05 -0.01 -0.07 0.04 0.03 0.01 -0.00 -0.04 0.06 -0.08 0.01 -0.08 -0.06 0.05 -0.10 -0.04 -0.01 0.04 0.02 -0.02 0.01 0.03 -0.00 -0.02 0.03 -0.01 0.03 0.05 -0.00 0.02 0.04 0.00 0.05 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.03 0.02 0.02 -0.01 -0.00 0.00 -0.02 -0.01 0.00 -0.02 -0.02 -0.01 0.00 0.00 -0.00 0.01 -0.01 0.00 0.01 0.01 -0.00 0.26 -0.07 0.10 0.03 -0.05 0.08 0.13 0.05 -0.04 -0.11 -0.10 0.10 -0.04 0.28 0.14 -0.00 -0.18 -0.13 -0.02 -0.05 -0.15 -0.11 0.07 0.01 -0.07 0.08 0.14 0.02 -0.00 -0.12 -0.15 0.06 -0.01 0.15 -0.07 -0.09 -0.08 -0.02 -0.22 -0.07 0.01 0.03 0.37 0.32 0.06 -0.06 0.03 -0.02 -0.13 -0.06 0.00 -0.30 -0.15 -0.22 0.07 0.03 -0.00 0.06 -0.05 0.02 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.05 0.12 -0.09 -0.05 -0.09 0.06 -0.03 0.03 -0.08 -0.04 0.00 -0.08 -0.02 0.03 -0.02 -0.01 0.00 0.03 0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.04 -0.07 0.02 0.02 -0.00 0.02 0.02 0.00 0.03 -0.00 0.00 -0.00 0.02 0.01 -0.00 0.07 0.01 0.08 0.00 -0.00 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 0.00 0.00 -0.00 0.10 -0.02 0.02 0.06 -0.05 0.08 0.11 0.08 -0.06 -0.07 -0.07 0.06 0.00 0.15 0.09 -0.07 -0.21 -0.08 -0.01 -0.00 -0.07 -0.06 0.03 -0.00 -0.03 0.06 0.09 -0.01 0.01 -0.08 -0.11 0.04 -0.01 0.10 -0.05 -0.06 -0.03 -0.01 -0.11 -0.03 0.00 0.01 -0.39 -0.40 0.03 -0.01 0.00 -0.01 -0.04 -0.02 0.00 0.47 0.21 0.35 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 -0.03 0.03 -0.00 0.01 -0.01 0.01 0.01 -0.00 -0.06 -0.02 0.05 0.09 -0.01 -0.02 -0.02 0.03 -0.03 -0.11 -0.01 0.02 0.02 -0.03 0.02 -0.02 0.03 0.00 0.02 0.01 -0.02 0.01 0.01 -0.01 -0.12 0.04 -0.05 0.32 0.07 0.02 -0.01 -0.01 -0.00 0.09 -0.06 0.03 0.02 -0.03 0.01 0.00 0.01 -0.01 -0.11 0.04 -0.02 -0.05 -0.08 0.02 0.01 0.04 -0.01 0.13 0.00 0.01 -0.00 -0.02 -0.00 0.03 0.05 -0.08 0.07 0.08 -0.04 0.05 -0.07 -0.04 -0.04 -0.04 0.01 -0.01 -0.09 -0.04 -0.02 0.05 0.06 -0.05 -0.04 0.00 0.07 -0.02 0.01 0.04 -0.04 0.02 -0.01 -0.01 -0.01 -0.00 -0.00 -0.06 -0.48 0.04 0.08 -0.03 -0.03 -0.01 -0.04 0.02 -0.01 -0.38 -0.23 0.03 -0.00 0.01 -0.01 -0.38 -0.07 -0.02 -0.33 0.09 -0.06 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.02 -0.02 0.01 0.00 0.01 -0.01 -0.01 0.00 0.20 -0.12 -0.03 -0.07 0.04 0.01 0.00 0.04 0.07 0.02 -0.03 -0.03 0.01 0.02 -0.06 0.02 -0.02 -0.00 -0.08 0.04 -0.00 -0.05 0.03 -0.00 -0.01 -0.01 0.01 0.03 0.04 -0.01 0.01 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 0.01 0.00 0.02 -0.01 -0.23 0.06 -0.22 -0.18 -0.06 0.07 0.25 0.21 -0.16 -0.37 -0.27 0.26 -0.05 0.06 0.03 0.04 0.03 -0.02 0.04 0.09 0.28 0.18 -0.06 0.07 0.10 -0.09 -0.18 -0.02 0.01 0.03 -0.12 -0.05 0.04 -0.21 -0.01 0.06 -0.01 -0.00 -0.11 -0.25 -0.04 0.06 0.05 0.05 0.00 0.04 -0.04 -0.01 -0.08 -0.05 0.01 -0.04 -0.03 -0.01 -0.00 0.00 0.00 -0.04 0.01 -0.01 0.00 -0.00 0.00 0.02 -0.01 0.04 -0.00 0.05 -0.09 -0.01 -0.03 0.03 -0.02 -0.02 0.01 0.02 -0.03 0.22 -0.07 0.07 -0.15 0.02 -0.04 -0.08 0.05 0.01 0.04 -0.00 0.03 0.01 -0.00 -0.06 0.05 -0.01 0.02 -0.06 -0.01 0.02 -0.08 0.01 -0.00 -0.00 -0.02 0.03 -0.01 0.05 0.01 0.05 0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.23 0.03 0.01 -0.03 0.11 -0.17 -0.34 -0.28 0.23 0.22 0.15 -0.17 -0.09 0.24 0.16 -0.01 -0.16 -0.12 0.01 -0.13 0.05 0.06 0.00 0.05 -0.03 -0.17 -0.14 0.09 -0.01 0.16 0.21 -0.14 0.04 -0.21 0.06 0.10 -0.02 -0.01 -0.11 -0.14 -0.03 0.02 0.06 0.03 0.05 0.09 -0.07 0.05 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.03 -0.02 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 0.01 0.00 0.00 0.00 0.10 0.18 0.04 -0.02 -0.02 -0.02 -0.05 -0.04 0.01 -0.02 0.01 -0.00 0.06 0.02 -0.06 0.00 -0.01 0.00 -0.04 -0.06 0.00 -0.03 -0.07 -0.02 -0.03 -0.01 0.00 0.03 -0.01 0.00 0.01 0.00 0.01 0.01 -0.00 0.00 0.01 0.00 -0.00 0.00 0.01 -0.01 -0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.00 0.44 -0.12 0.28 -0.34 0.11 -0.14 -0.05 -0.14 0.10 -0.24 -0.21 0.19 0.00 0.05 0.02 -0.01 -0.06 -0.03 0.00 0.15 -0.01 0.04 -0.14 -0.20 0.14 0.08 -0.04 -0.21 0.06 0.12 0.14 0.11 -0.08 0.06 0.16 0.09 0.06 -0.00 0.22 0.01 0.01 0.01 -0.00 -0.01 0.01 -0.04 0.03 -0.02 0.03 0.01 -0.00 0.04 0.03 0.01 -0.06 -0.02 -0.00 -0.03 0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.08 0.12 -0.05 0.11 0.14 -0.04 -0.10 0.02 -0.17 0.01 0.01 0.00 0.02 -0.01 0.00 -0.02 -0.01 -0.01 -0.01 -0.00 0.00 0.01 0.02 -0.01 -0.04 -0.05 0.03 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.02 0.01 -0.00 0.02 -0.04 0.01 0.02 -0.02 0.04 -0.00 0.01 -0.00 0.02 0.01 -0.00 -0.02 -0.19 0.24 0.01 0.02 -0.00 -0.02 0.01 -0.00 -0.00 -0.02 0.00 0.02 -0.01 0.04 0.09 -0.01 0.03 -0.07 -0.06 0.05 -0.01 -0.03 0.02 -0.10 -0.28 -0.03 0.01 0.09 0.01 0.00 0.01 0.01 0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.02 0.00 0.01 0.01 0.01 -0.01 0.01 0.02 0.01 -0.01 -0.00 0.02 0.01 0.01 -0.01 -0.17 -0.17 0.02 -0.05 0.04 -0.02 0.01 0.01 -0.00 -0.60 -0.47 -0.15 -0.05 -0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.02 0.02 0.01 0.02 -0.01 0.00 0.02 -0.02 -0.05 0.00 -0.06 0.03 -0.03 0.03 0.03 -0.04 0.02 -0.02 0.07 -0.04 0.06 0.07 -0.04 -0.00 0.03 -0.01 0.02 -0.00 0.01 0.01 -0.00 0.02 0.04 -0.06 0.04 -0.06 0.17 -0.06 -0.01 -0.01 0.00 0.09 -0.09 0.03 -0.13 -0.08 0.01 0.00 -0.01 0.02 -0.09 -0.09 0.02 0.10 -0.08 0.03 0.02 0.22 -0.06 -0.28 0.01 -0.02 0.15 -0.01 0.04 -0.37 -0.36 0.31 -0.16 -0.23 0.17 0.06 -0.04 -0.04 -0.03 -0.10 -0.02 -0.00 0.01 -0.05 -0.06 0.03 -0.01 -0.03 0.02 0.05 -0.01 0.00 -0.06 -0.03 0.03 -0.01 0.06 -0.04 -0.04 0.00 0.00 0.02 -0.08 -0.09 0.05 -0.05 -0.05 -0.00 -0.07 -0.00 -0.00 0.27 0.10 0.00 -0.02 -0.02 0.00 -0.12 -0.11 0.03 0.18 -0.13 0.05 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.01 0.01 0.01 -0.01 -0.01 0.01 -0.02 -0.01 0.03 0.05 -0.01 0.00 -0.00 0.01 0.04 -0.01 -0.00 0.01 -0.02 -0.06 -0.12 0.05 -0.00 -0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.01 -0.02 0.06 -0.01 0.01 -0.05 0.12 -0.04 0.00 -0.00 0.01 0.01 -0.03 0.01 -0.06 -0.04 0.01 0.00 -0.02 0.03 -0.04 -0.06 0.01 0.06 -0.03 0.02 0.02 0.07 -0.02 0.30 -0.01 0.04 -0.37 0.03 -0.10 0.42 0.37 -0.34 0.17 0.26 -0.16 -0.01 0.01 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.03 0.00 -0.02 -0.02 0.01 -0.00 -0.01 0.01 -0.00 0.05 0.06 -0.01 -0.01 -0.01 0.05 0.03 0.04 0.00 0.14 0.08 -0.01 0.01 -0.02 -0.02 0.01 0.14 -0.12 0.04 -0.08 -0.05 0.01 -0.06 -0.05 -0.02 0.20 0.05 0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.06 -0.04 -0.00 -0.02 0.03 -0.01 -0.05 0.05 0.06 -0.02 0.00 0.00 0.01 0.00 -0.07 0.03 -0.03 0.00 -0.03 0.01 -0.01 -0.02 0.03 -0.01 -0.04 0.01 -0.02 0.00 -0.01 -0.02 0.00 -0.00 -0.02 0.02 -0.01 0.02 -0.05 0.01 0.01 0.04 -0.03 0.03 -0.03 0.01 -0.03 -0.02 0.00 -0.01 0.00 -0.02 0.01 -0.00 0.00 -0.02 -0.01 0.00 0.01 0.10 -0.03 0.23 -0.03 0.05 0.29 -0.05 0.10 0.06 0.11 -0.11 0.14 0.14 -0.10 -0.10 -0.12 -0.01 0.07 0.26 0.07 0.01 0.02 0.07 0.06 -0.02 0.04 0.03 0.01 -0.03 0.01 -0.01 0.02 -0.00 -0.00 0.01 -0.01 0.01 0.01 0.02 -0.00 0.05 0.16 0.05 -0.05 0.07 0.09 -0.03 -0.35 0.22 -0.08 0.33 0.14 -0.01 0.03 0.02 0.01 -0.33 -0.17 0.01 0.27 -0.20 0.09 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.02 0.08 -0.05 0.00 -0.02 0.03 -0.02 -0.07 0.07 0.03 -0.00 -0.03 0.04 -0.01 0.03 -0.06 0.00 -0.03 -0.03 0.04 -0.02 0.02 0.01 0.01 -0.01 -0.04 0.02 -0.01 -0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.03 0.01 -0.01 0.07 -0.02 0.02 0.06 -0.05 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.03 -0.04 -0.01 -0.00 0.04 -0.01 0.01 -0.01 -0.06 0.01 0.12 -0.03 0.08 0.38 -0.07 0.13 -0.16 -0.14 0.12 0.05 -0.04 0.01 -0.11 -0.28 -0.05 0.08 0.30 0.05 0.01 0.03 0.05 0.02 -0.01 0.03 0.02 0.03 0.00 -0.00 -0.01 -0.01 -0.00 0.02 -0.01 0.03 0.01 -0.01 0.05 -0.00 0.14 -0.01 -0.03 0.01 0.07 0.11 -0.06 0.30 -0.19 0.08 -0.28 -0.12 0.01 0.03 0.02 0.02 0.31 0.15 -0.01 -0.25 0.19 -0.08 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.03 -0.08 0.05 -0.01 0.02 -0.03 0.03 0.07 -0.07 0.10 -0.03 -0.02 -0.06 0.02 -0.01 -0.13 0.02 -0.05 -0.00 -0.00 0.01 0.01 -0.01 0.04 0.03 0.04 -0.02 -0.03 0.00 -0.01 -0.02 0.01 0.01 0.01 -0.00 -0.00 -0.01 0.02 -0.01 -0.02 -0.06 0.06 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.03 0.01 0.02 -0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 0.33 -0.06 0.08 0.63 -0.08 0.20 -0.07 -0.05 0.04 0.18 0.08 -0.10 0.10 0.28 0.05 -0.08 -0.34 -0.06 0.03 0.06 0.13 0.08 -0.02 0.08 0.05 0.06 -0.02 -0.05 0.02 0.01 -0.04 -0.02 0.02 -0.03 -0.02 -0.01 0.00 0.00 0.03 0.06 0.01 -0.01 -0.05 -0.09 0.06 0.07 -0.05 0.03 -0.06 -0.02 0.00 -0.02 -0.01 -0.02 0.07 0.03 -0.00 -0.05 0.04 -0.02 0.00 0.00 -0.00 0.00 0.01 0.01 -0.02 -0.00 0.03 -0.00 0.01 -0.01 0.01 0.03 -0.02 -0.00 0.01 0.01 0.04 -0.01 0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.01 0.01 0.00 0.00 -0.01 -0.11 -0.07 0.00 0.00 0.00 -0.02 -0.01 0.00 -0.00 -0.01 0.01 0.00 0.01 -0.00 -0.01 -0.03 0.03 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.03 -0.02 -0.02 0.02 0.03 -0.01 -0.03 -0.03 0.01 -0.02 -0.02 0.02 -0.02 0.57 0.17 0.13 0.60 0.39 -0.01 -0.01 -0.02 0.01 -0.01 -0.02 0.01 -0.01 -0.01 0.07 -0.05 -0.02 0.06 0.03 -0.01 0.07 0.04 -0.02 -0.07 0.00 -0.26 -0.00 -0.02 -0.00 0.01 -0.01 0.04 0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 0.03 0.02 -0.00 -0.03 0.02 -0.01 0.00 -0.00 0.00 -0.01 -0.01 -0.02 -0.04 0.06 -0.11 -0.13 -0.12 -0.01 0.04 0.08 -0.06 -0.02 -0.01 -0.02 0.03 0.03 0.02 0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 -0.01 0.03 0.00 0.00 0.01 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.06 -0.16 0.13 0.00 -0.00 0.00 0.00 0.00 -0.00 0.18 0.13 0.06 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.07 0.02 0.01 -0.03 -0.03 0.01 -0.00 -0.00 0.00 -0.02 -0.02 0.02 -0.05 -0.33 -0.07 0.12 0.29 -0.08 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 0.01 0.02 -0.01 -0.03 -0.01 0.01 -0.00 0.00 -0.01 -0.00 0.09 0.00 0.33 -0.03 -0.01 -0.00 0.44 0.28 0.21 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.28 -0.07 -0.30 -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 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.01 -0.00 -0.02 -0.01 0.02 -0.01 0.01 -0.01 -0.10 0.07 -0.01 0.03 -0.02 0.00 0.01 0.01 -0.00 -0.01 -0.02 0.04 -0.01 -0.01 -0.06 0.03 -0.02 0.02 -0.01 -0.00 -0.00 -0.01 0.01 0.08 -0.00 0.01 -0.06 0.02 -0.01 0.01 0.01 0.00 -0.10 -0.00 -0.01 0.08 -0.03 0.02 0.00 -0.01 0.00 -0.07 0.01 -0.03 -0.05 0.03 -0.03 -0.01 0.02 -0.01 -0.03 0.00 -0.00 -0.02 -0.07 -0.02 0.01 0.02 0.01 0.04 0.05 0.06 0.00 0.02 0.11 -0.00 0.09 0.04 -0.15 0.10 0.02 -0.17 -0.00 -0.03 -0.17 -0.02 0.11 -0.10 0.01 -0.26 0.72 0.17 -0.14 0.02 0.00 0.01 -0.08 0.10 -0.04 0.01 0.06 -0.02 0.00 0.00 -0.01 0.20 0.14 -0.02 -0.20 0.16 -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 0.02 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.03 0.02 0.00 0.01 -0.01 0.00 0.01 0.01 -0.00 0.05 0.06 -0.10 0.02 0.02 -0.02 0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 0.02 -0.00 0.00 -0.02 0.01 -0.00 0.00 0.00 -0.00 -0.03 -0.00 -0.00 0.02 -0.01 0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.02 0.01 0.01 0.01 -0.01 0.01 -0.02 -0.03 0.02 0.01 0.02 -0.07 -0.02 -0.01 -0.08 -0.07 -0.13 -0.21 -0.22 0.07 -0.10 -0.34 0.07 -0.30 -0.18 0.35 -0.22 -0.02 0.38 -0.01 0.08 0.37 0.05 -0.24 -0.02 0.00 -0.02 0.22 0.05 -0.04 -0.01 -0.01 0.00 -0.03 0.03 -0.01 0.00 0.02 -0.01 0.00 0.00 0.00 0.06 0.04 -0.01 -0.06 0.05 -0.02 0.00 0.00 -0.00 -0.02 -0.04 -0.03 0.02 0.00 0.02 0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.02 -0.03 -0.02 0.02 0.11 -0.02 0.00 -0.00 0.01 0.01 -0.02 0.01 0.00 0.01 -0.00 -0.00 -0.04 -0.02 0.01 0.04 0.04 0.05 0.00 -0.00 -0.03 0.01 -0.00 0.01 -0.01 0.00 -0.01 0.01 -0.02 0.02 -0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.02 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.04 0.00 -0.07 0.04 0.02 0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.02 0.30 0.10 -0.02 -0.03 0.10 -0.07 -0.12 -0.12 -0.03 -0.03 -0.25 -0.03 -0.24 -0.09 -0.18 0.12 -0.02 -0.19 -0.03 -0.01 -0.19 -0.09 0.07 0.19 -0.01 0.70 0.09 0.02 -0.03 -0.03 0.00 -0.02 -0.03 0.03 -0.01 0.00 0.01 -0.00 -0.01 -0.01 0.01 0.02 0.02 -0.00 -0.04 0.04 -0.01 0.00 0.00 -0.00 -0.01 -0.02 -0.01 0.02 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.01 0.01 0.06 -0.02 0.02 -0.00 0.01 0.01 -0.01 0.00 -0.01 0.01 -0.01 -0.01 -0.02 -0.00 0.00 -0.06 -0.07 -0.07 0.02 0.01 -0.02 0.01 -0.00 0.00 -0.02 0.01 -0.00 0.01 -0.01 0.03 -0.00 0.00 -0.02 0.01 -0.00 -0.01 -0.01 0.00 -0.03 0.01 -0.00 0.02 -0.00 0.00 -0.00 -0.02 0.00 -0.09 0.02 0.01 -0.08 -0.03 -0.00 0.05 0.00 0.03 0.01 -0.06 -0.01 0.01 0.15 0.05 -0.02 -0.06 0.00 0.15 0.22 0.27 -0.06 0.10 0.39 -0.07 0.34 0.21 0.26 -0.16 0.00 0.26 -0.03 0.07 0.27 0.03 -0.18 0.10 -0.01 0.38 0.01 0.01 -0.01 -0.01 0.00 -0.02 -0.07 0.06 -0.02 0.04 0.04 -0.01 -0.01 -0.01 -0.00 0.04 0.04 -0.01 -0.05 0.05 -0.02 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.02 0.03 -0.01 0.01 -0.01 0.01 -0.05 -0.08 0.06 0.01 0.04 -0.03 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.03 -0.00 -0.01 0.02 0.12 -0.04 -0.00 -0.00 -0.00 -0.12 -0.01 -0.01 0.11 -0.03 0.02 -0.00 -0.00 0.00 0.09 -0.04 0.02 -0.11 -0.02 -0.01 0.02 0.09 -0.02 -0.06 0.00 -0.04 -0.02 0.02 -0.01 -0.00 -0.04 0.08 -0.03 -0.09 0.02 -0.02 0.04 0.02 -0.00 0.01 0.03 0.03 0.03 0.05 -0.00 0.01 0.07 -0.01 0.06 0.04 0.05 -0.03 0.00 0.05 -0.01 0.02 0.05 0.00 -0.04 -0.00 0.00 0.08 0.63 0.13 -0.11 0.00 0.00 -0.00 0.26 -0.27 0.09 -0.29 -0.22 0.03 -0.00 -0.00 0.00 -0.16 -0.17 0.03 0.16 -0.21 0.08 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.17 0.11 0.11 -0.06 -0.04 -0.03 -0.01 -0.03 0.04 0.01 0.01 0.01 -0.02 -0.02 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.10 -0.06 0.00 -0.01 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.10 -0.04 -0.09 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 0.03 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.04 -0.02 -0.04 0.03 0.05 -0.02 0.02 -0.00 0.02 0.02 -0.02 -0.02 0.67 0.26 0.01 -0.03 -0.09 -0.47 -0.02 -0.03 -0.03 0.05 -0.02 0.00 0.04 0.02 -0.02 -0.04 0.01 -0.10 0.05 0.04 -0.02 -0.06 -0.05 0.00 -0.06 0.01 -0.19 0.02 0.00 -0.01 0.09 0.15 -0.08 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.13 -0.05 -0.11 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.01 -0.02 -0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.01 -0.01 0.00 0.05 -0.03 0.01 0.01 0.00 -0.02 -0.01 -0.02 0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.02 -0.01 0.00 0.00 0.00 -0.00 0.00 0.02 0.01 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.05 0.02 0.12 -0.03 -0.12 0.05 -0.42 0.04 -0.39 -0.31 0.44 0.19 -0.16 0.05 0.02 -0.06 -0.13 0.16 -0.03 0.20 -0.17 -0.09 0.06 0.14 0.19 0.01 -0.11 -0.06 0.05 0.07 0.02 -0.16 0.09 0.03 -0.10 -0.11 -0.00 -0.00 -0.03 0.02 0.00 -0.00 0.01 0.03 -0.02 0.02 -0.02 -0.01 -0.01 -0.01 0.00 -0.04 -0.01 -0.03 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.06 -0.03 -0.02 0.03 0.03 0.01 0.01 0.02 -0.01 -0.01 -0.00 0.00 0.00 0.02 -0.00 0.02 0.01 -0.02 0.01 -0.01 0.00 0.02 -0.01 0.00 -0.02 -0.01 0.03 -0.02 0.01 -0.01 0.00 -0.01 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 0.00 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.04 -0.02 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.09 0.05 0.20 -0.06 -0.20 0.08 -0.20 0.02 -0.17 -0.14 0.20 0.08 0.34 -0.01 -0.02 0.12 0.26 -0.32 -0.05 -0.24 0.01 0.31 -0.12 0.08 0.07 0.20 0.04 0.00 -0.04 -0.30 0.11 0.22 -0.11 -0.14 -0.05 0.07 0.02 -0.00 0.11 0.02 0.00 -0.01 -0.02 -0.05 0.03 0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.08 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 0.04 0.02 0.02 -0.03 -0.02 -0.01 -0.01 -0.02 0.01 -0.02 0.01 -0.01 0.00 -0.01 -0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.02 0.01 -0.03 -0.03 0.02 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.03 0.02 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 0.07 -0.04 -0.06 0.01 0.05 -0.01 0.05 0.04 -0.05 -0.02 -0.35 0.04 0.03 -0.12 -0.25 0.33 -0.08 -0.45 0.03 0.50 -0.21 0.05 0.07 0.30 0.09 -0.02 -0.00 -0.13 0.06 0.08 -0.04 -0.04 -0.05 0.00 -0.00 -0.00 -0.04 -0.01 -0.00 0.00 -0.00 0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 -0.07 -0.02 -0.06 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.02 -0.01 0.01 -0.00 0.00 -0.01 0.02 0.02 -0.02 -0.01 -0.04 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.05 0.04 0.04 -0.01 -0.19 0.01 -0.17 -0.13 0.18 0.08 -0.02 0.02 0.00 -0.03 -0.09 0.03 0.09 -0.12 0.27 -0.03 -0.01 -0.16 -0.30 -0.07 0.16 0.26 -0.15 0.16 -0.25 0.27 -0.20 0.10 0.47 0.29 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.02 -0.01 -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 0.01 0.01 0.00 0.01 0.01 -0.00 -0.02 -0.01 -0.02 0.00 0.01 -0.00 0.01 0.01 -0.02 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.01 0.01 -0.02 0.00 0.02 0.01 -0.00 -0.04 -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 -0.02 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.09 0.06 0.23 -0.05 -0.24 0.10 0.09 -0.01 0.09 0.06 -0.09 -0.04 0.11 0.04 0.00 0.03 0.05 -0.09 -0.10 -0.06 -0.22 0.18 -0.05 0.13 0.25 0.13 -0.09 0.09 0.01 0.53 -0.36 -0.23 0.07 0.22 0.28 0.05 0.01 -0.00 0.03 -0.00 -0.00 -0.00 0.03 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.03 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 0.02 0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.03 -0.00 0.01 -0.00 -0.01 0.00 0.02 0.03 -0.06 -0.00 -0.00 0.00 -0.02 0.01 -0.01 0.00 0.00 -0.01 0.02 0.00 0.01 -0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.16 0.13 0.54 -0.15 -0.53 0.22 0.11 -0.01 0.09 0.08 -0.11 -0.06 -0.08 0.06 0.02 -0.04 -0.08 0.10 0.05 0.14 0.06 -0.23 0.08 -0.13 -0.13 -0.20 -0.01 0.01 -0.03 -0.17 0.07 0.15 -0.08 -0.09 -0.00 0.06 -0.01 0.00 -0.05 0.02 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.01 0.02 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.00 0.02 -0.01 -0.01 0.01 -0.01 0.11 -0.01 0.01 -0.01 -0.01 0.00 -0.03 0.07 -0.02 -0.06 -0.07 0.01 -0.01 -0.01 -0.01 -0.10 -0.07 0.01 -0.09 0.10 -0.04 0.10 -0.03 0.02 -0.00 0.01 0.06 -0.02 -0.05 0.02 -0.07 -0.01 -0.03 -0.05 0.04 0.03 0.03 -0.00 -0.00 0.02 0.04 -0.03 0.06 -0.15 0.22 0.04 -0.05 -0.15 -0.23 -0.02 0.14 -0.11 0.08 0.14 0.00 -0.24 0.13 0.06 -0.13 -0.15 -0.00 -0.00 -0.01 -0.05 0.01 0.00 0.02 0.01 0.01 0.31 -0.14 0.06 0.38 0.12 0.01 0.02 0.01 0.02 0.36 0.14 -0.00 0.34 -0.17 0.08 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.04 0.02 0.01 0.01 -0.01 -0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.02 0.02 -0.00 -0.03 0.01 -0.01 0.01 -0.00 0.04 -0.00 0.01 0.01 0.02 -0.00 -0.01 0.03 -0.01 -0.03 -0.03 0.01 0.02 0.01 0.01 -0.04 -0.03 0.00 -0.03 0.04 -0.02 0.04 -0.01 0.01 -0.00 -0.01 -0.11 0.05 0.08 -0.03 0.05 -0.01 0.06 0.05 -0.06 -0.03 -0.06 0.01 0.01 -0.02 -0.06 0.05 -0.09 0.23 -0.35 -0.07 0.07 0.25 0.37 0.03 -0.22 0.18 -0.14 -0.21 -0.01 0.38 -0.22 -0.09 0.21 0.23 0.01 -0.00 0.04 -0.03 0.00 -0.00 -0.03 -0.02 -0.01 0.12 -0.05 0.03 0.15 0.05 0.00 -0.03 -0.01 -0.03 0.15 0.06 -0.00 0.14 -0.07 0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.09 -0.11 0.04 -0.09 -0.05 -0.06 -0.12 -0.12 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.19 0.21 -0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 0.19 0.12 0.10 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 0.01 0.06 -0.01 -0.06 0.03 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.26 0.12 -0.00 0.07 0.19 -0.17 0.00 -0.04 0.03 0.02 -0.01 -0.03 -0.03 0.00 0.02 -0.03 0.04 0.14 -0.07 -0.14 0.07 0.05 -0.01 -0.05 -0.00 0.00 -0.01 0.02 0.00 -0.01 -0.42 -0.34 -0.11 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.37 -0.14 -0.34 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.06 0.04 -0.03 -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.05 0.01 0.00 0.00 -0.32 0.09 0.00 0.00 -0.00 -0.10 0.22 -0.07 0.14 0.18 -0.04 -0.00 -0.00 0.00 -0.13 -0.22 0.05 0.05 -0.21 0.07 0.05 0.35 -0.09 0.00 -0.01 -0.01 0.01 0.01 -0.00 -0.02 0.01 -0.01 0.00 0.03 -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 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.01 -0.21 -0.03 0.03 -0.00 -0.00 -0.00 0.40 -0.09 0.05 -0.33 -0.02 -0.03 0.00 -0.00 -0.00 0.34 -0.03 0.04 -0.27 -0.03 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.04 -0.00 0.00 -0.23 0.02 -0.03 -0.00 -0.00 0.00 0.28 -0.10 0.05 0.31 0.06 0.02 -0.00 -0.00 -0.00 -0.26 -0.04 -0.01 -0.25 0.07 -0.05 0.12 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.02 -0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.03 -0.01 0.00 0.00 0.00 -0.32 0.29 -0.10 -0.38 -0.26 0.04 0.00 0.00 0.00 0.23 0.20 -0.03 0.19 -0.23 0.09 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -0.00 -0.00 0.04 0.02 -0.02 0.00 0.01 -0.01 -0.43 -0.28 0.21 0.04 0.05 -0.04 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.47 0.24 -0.16 -0.09 -0.08 0.03 -0.00 0.00 0.00 -0.01 0.03 -0.01 -0.04 0.02 -0.01 -0.00 -0.00 -0.00 0.01 -0.02 0.00 0.05 -0.03 0.01 -0.01 0.03 -0.01 0.01 0.01 0.00 -0.01 -0.02 0.01 -0.04 -0.04 0.00 -0.07 -0.06 0.07 -0.01 0.02 0.01 0.00 0.01 0.02 0.01 0.01 0.02 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 0.04 -0.57 0.04 -0.07 0.00 0.00 -0.00 0.00 0.04 0.00 0.00 0.04 -0.01 0.00 0.00 0.00 0.03 -0.01 0.01 -0.05 0.03 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.02 -0.00 -0.00 0.00 0.04 -0.04 0.01 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.02 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.15 0.01 -0.05 0.10 0.18 -0.22 0.50 0.35 -0.30 -0.07 -0.43 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.10 -0.01 -0.03 -0.04 -0.09 0.02 -0.03 0.03 -0.04 0.12 0.23 -0.02 0.02 -0.14 -0.24 0.11 -0.13 0.18 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -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 0.03 -0.03 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.08 0.00 0.08 -0.17 -0.31 -0.17 0.37 0.26 -0.12 -0.03 -0.18 0.00 -0.00 0.01 0.02 -0.00 0.00 0.01 -0.00 -0.00 0.01 0.03 -0.01 0.01 -0.01 0.01 -0.19 -0.37 0.03 -0.03 0.23 0.40 -0.19 0.22 -0.31 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.01 -0.06 -0.00 -0.00 0.00 0.01 0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.05 -0.26 0.01 -0.17 0.35 0.65 0.05 -0.10 -0.06 -0.13 -0.02 -0.18 -0.01 0.02 -0.05 0.03 -0.01 0.01 -0.16 0.02 0.05 0.10 0.22 -0.06 0.07 -0.06 0.10 -0.11 -0.22 0.02 -0.02 0.11 0.20 -0.11 0.13 -0.18 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.04 -0.02 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 0.00 0.05 -0.11 -0.20 -0.05 0.10 0.07 -0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.02 0.01 -0.00 -0.46 0.06 0.15 0.29 0.62 -0.17 0.19 -0.16 0.28 0.05 0.10 -0.01 0.01 -0.07 -0.13 0.06 -0.08 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 0.01 0.02 -0.02 -0.00 -0.00 -0.00 -0.02 -0.04 -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 -0.06 -0.31 0.03 -0.05 0.10 0.17 -0.19 0.39 0.25 0.46 0.08 0.62 -0.00 0.01 -0.02 0.01 -0.00 0.00 0.04 -0.01 -0.01 0.01 0.02 -0.01 -0.00 -0.00 0.00 -0.01 -0.02 0.00 -0.00 0.01 0.01 -0.01 0.01 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.05 -0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.03 -0.00 -0.02 -0.00 -0.00 0.00 0.02 0.04 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.11 0.51 -0.06 -0.05 0.10 0.20 -0.04 0.09 0.06 0.05 0.01 0.06 0.04 -0.11 0.32 -0.42 0.12 -0.07 0.03 -0.00 -0.01 0.01 0.02 -0.00 0.01 -0.01 0.01 -0.19 -0.36 0.05 0.04 -0.20 -0.36 -0.03 0.05 -0.04 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.06 -0.01 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.03 -0.00 0.03 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 0.14 0.66 -0.07 -0.06 0.10 0.21 -0.06 0.12 0.08 0.06 0.01 0.08 -0.05 0.14 -0.40 0.45 -0.13 0.08 -0.06 0.01 0.02 -0.00 -0.00 0.00 0.02 -0.02 0.03 0.06 0.10 -0.01 -0.01 0.05 0.09 0.02 -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 0.00 -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 -0.01 0.03 0.00 -0.02 0.01 0.01 -0.01 -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 0.04 0.22 -0.03 -0.03 0.06 0.12 -0.02 0.05 0.03 0.02 0.00 0.03 0.04 -0.11 0.32 -0.36 0.11 -0.06 -0.10 0.02 0.03 -0.03 -0.06 0.02 0.03 -0.02 0.04 0.31 0.56 -0.06 -0.04 0.20 0.38 -0.10 0.09 -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 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.01 0.01 -0.02 0.03 -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 0.02 0.07 -0.01 -0.01 0.03 0.05 -0.01 0.01 0.01 0.01 0.00 0.01 0.02 -0.04 0.12 -0.13 0.04 -0.02 0.16 -0.03 -0.05 0.06 0.14 -0.04 -0.05 0.03 -0.06 -0.12 -0.20 0.00 -0.04 0.26 0.43 0.35 -0.41 0.54 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.07 -0.04 0.04 0.00 -0.02 0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.05 -0.01 -0.00 0.00 0.00 0.02 -0.03 -0.02 -0.01 -0.00 -0.01 -0.00 0.01 -0.02 0.03 -0.01 0.00 0.70 -0.12 -0.23 0.23 0.52 -0.13 -0.09 0.05 -0.09 0.09 0.15 -0.01 0.00 -0.03 -0.04 -0.10 0.11 -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 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.06 0.05 -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 -0.02 0.00 0.00 -0.01 -0.01 0.01 -0.02 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.33 -0.04 -0.12 -0.10 -0.19 0.04 0.46 -0.37 0.68 -0.01 -0.02 0.00 -0.00 0.01 0.02 0.03 -0.03 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 -0.03 0.02 -0.03 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.06 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 0.01 -0.00 -0.00 0.01 0.02 0.00 -0.00 -0.00 0.00 0.00 0.01 0.04 -0.12 0.37 0.32 -0.09 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 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.20 0.68 -0.47 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.03 -0.06 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.05 0.03 -0.06 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.04 -0.03 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.01 0.03 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.07 -0.20 0.61 0.52 -0.15 0.07 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.01 -0.01 -0.01 0.00 0.00 -0.01 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 0.12 -0.42 0.29 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.02 0.04 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.03 -0.07 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.07 -0.05 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.38 0.83 -0.27 0.00 0.00 -0.00 -0.01 0.03 -0.01 -0.16 -0.23 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 0.01 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.03 -0.07 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.14 -0.20 0.04 0.01 -0.02 0.01 0.00 0.00 -0.00 -0.40 0.84 -0.26 0.02 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 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.02 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.05 -0.07 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.02 0.03 -0.01 -0.12 0.24 -0.08 0.00 0.00 -0.00 0.01 -0.02 0.01 0.55 0.76 -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 0.00 -0.00 0.00 -0.00 0.00 -0.05 -0.07 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.54 0.78 -0.15 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.11 0.21 -0.07 -0.02 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -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 -0.00 0.00 0.02 0.06 -0.06 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -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 0.09 -0.15 0.33 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.19 -0.64 0.64 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.03 -0.08 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 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 0.23 -0.37 0.82 0.00 0.00 -0.00 -0.00 0.00 0.00 0.07 0.25 -0.25 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.06 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.21 0.97 -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 17 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 17 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.96885 15.99491 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 317.12949 0.99974 0.02273 -0.00305 -0.02276 0.99969 -0.01003 0.00282 0.01009 0.99995 asymmetric 1 0.02069 0.00724 0.00583 0.43118 0.15093 0.12148 908443.2 20.01 47.21 79.80 91.58 107.71 143.19 176.04 201.30 251.34 271.25 292.83 320.35 359.04 376.69 388.98 451.44 465.21 476.29 503.98 527.24 547.95 573.44 600.84 607.60 628.21 679.02 759.03 764.37 776.96 843.34 880.68 895.85 933.91 955.26 988.20 1001.32 1036.90 1067.76 1109.59 1147.37 1194.59 1199.64 1204.05 1236.23 1271.77 1299.25 1303.89 1337.53 1349.64 1385.69 1391.99 1402.67 1406.73 1424.66 1444.58 1461.94 1467.63 1479.05 1489.99 1520.27 1580.46 1588.93 1627.02 1639.10 1655.05 1679.38 1724.83 1753.77 1754.85 1775.61 1786.40 1793.45 1812.83 1836.81 1885.24 1888.82 1896.74 1916.55 1926.62 1936.07 1961.64 1986.23 2021.83 2024.10 2036.45 2061.04 2076.69 2115.13 2130.52 2132.77 2145.04 2158.53 2181.40 2182.97 2191.37 2191.70 2209.79 2299.28 2346.96 2459.18 4345.00 4346.07 4351.49 4362.41 4389.38 4427.20 4428.47 4438.78 4448.45 4454.94 4490.55 4512.80 4513.53 4562.50 4592.65 4602.80 4639.05 4671.50 4679.81 5271.85 0.346008 0.365712 0.366656 0.296620 -1359.477157 -1359.457453 -1359.456509 -1359.526545 229.488 78.087 147.403 0.000 0.000 0.000 0.889 2.981 43.158 0.889 2.981 34.963 227.710 72.126 69.282 1 0.593 1.986 7.356 2 0.594 1.983 5.652 3 0.596 1.975 4.612 4 0.597 1.972 4.341 5 0.599 1.966 4.021 6 0.604 1.949 3.464 7 0.610 1.930 3.063 8 0.615 1.913 2.805 9 0.627 1.874 2.384 10 0.633 1.856 2.242 11 0.639 1.835 2.101 12 0.648 1.807 1.937 13 0.662 1.764 1.734 14 0.669 1.743 1.650 15 0.674 1.728 1.594 16 0.702 1.647 1.342 17 0.708 1.629 1.293 18 0.713 1.614 1.255 19 0.727 1.575 1.165 20 0.739 1.541 1.095 21 0.751 1.511 1.036 22 0.765 1.473 0.968 23 0.781 1.432 0.900 24 0.785 1.422 0.884 25 0.797 1.390 0.837 26 0.829 1.312 0.732 27 0.883 1.189 0.593 28 0.886 1.181 0.584 29 0.895 1.162 0.565 30 0.943 1.061 0.474 31 0.971 1.006 0.429 0.520873e+23 22.716732 52.307209 0.240402e+08 7.380939 16.995239 0.100000e+01 0.000000 0.000000 0.221977e+09 8.346309 19.218086 0.976078e+07 6.989485 16.093883 2 gas ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1359.823165 1.887E-9 2.924E-6 0.3460077 0.365712 -1359.4574531 -1359.4565089 -1359.526545 -5.57704,2.5036131,3.0734269,-0.163508,6.3032393,-5.2363123 C01 [X(C17H20Cl1N3O1)] -1.1011933 0.6148772 -0.939256 -1.0626383 0.037291 0.0850136 0.0218827 -0.0856586 0.0038661 0.1392462 0.00126 -0.0847884 -0.6553959 -0.047335 0.0645404 -0.0881718 -0.6255169 0.1373204 0.2642212 0.1029767 -0.7615671 -0.2587017 0.2217994 -0.0682073 0.1810245 -0.4922382 0.0078521 -0.1543006 0.143697 -0.0906392 -0.3150022 0.0807283 0.1508798 0.0215578 -0.3294783 -0.0493519 0.2085166 -0.30835 -0.2973821 -0.3699282 0.152563 0.040299 0.0708819 -0.6103932 0.0529577 0.0160375 0.161371 -0.4462041 0.1677519 -0.0065011 -0.0132309 -0.0864297 0.0807681 0.0412325 0.0303154 -0.0451065 0.0610157 0.5504737 0.0302654 -0.0693638 0.1134488 0.3343658 -0.0856167 -0.3218136 0.0024749 0.5209179 0.0493941 -0.0195164 0.0427191 0.0026928 0.128778 0.0171831 0.0649832 0.0052184 0.0796741 -0.2561038 0.0616187 0.0100123 -0.0981423 -0.0078001 -0.1341441 0.080235 -0.1951492 -0.0538674 0.1074335 -0.0612419 0.0241916 0.039455 0.0674926 0.0963537 0.0681894 0.0877481 0.0941781 0.104585 -0.18148 0.0088285 -0.0845639 0.4374661 -0.0723287 0.1717365 -0.0754336 0.1049695 0.0264913 -0.0190576 -0.0001619 -0.0154339 0.0337891 -0.0597236 -0.0201834 -0.0167446 -0.0010184 -0.0407798 -0.0051022 -0.0073321 0.0419512 0.0487961 0.0078935 -0.0090208 0.0078906 0.0680694 0.0962699 -0.0038344 -0.0141152 0.1076302 -0.0695281 -0.0441369 -0.2404142 -0.0440572 -0.0593189 0.3179149 -0.0177852 0.013711 -0.0542806 -0.0292583 0.0183611 0.0600357 0.0320949 -0.0278678 0.2556702 -0.3552953 -0.0401264 -0.1853643 0.4503497 -0.0267124 0.0216848 0.0398861 0.139758 -0.0491517 -0.0182173 -0.0286659 -0.024552 -0.0027453 -0.0270843 -0.0371963 -0.0205039 -0.0879743 -0.0829256 0.0470238 -0.0427389 0.0371366 0.0299604 -0.0467024 -0.0059568 -0.0411301 -0.0784254 0.1768445 -0.0699382 -0.1389972 -0.0897376 0.176639 -0.1102414 -0.1732414 -0.160733 0.4223575 -0.3361059 0.0729341 -0.0057176 0.1672531 -0.000984 -0.0473729 -0.0115085 -0.0591744 -0.0843572 -0.2597693 -0.0822033 0.0430685 -0.1380068 0.0243576 -0.0443934 0.0409247 -0.0304883 -0.0984831 1.3480733 -0.0384644 -0.162981 -0.076599 0.0344689 -0.0178588 -0.1731594 -0.0197057 0.0058597 0.0021726 0.0359733 -0.0194584 0.0720062 -0.1571761 0.0903294 -0.0181344 0.0255491 0.0516683 -0.0298636 -0.0084133 -0.0454936 -0.0514612 -0.004374 -0.1298681 -0.0456886 -0.0885588 -0.0998519 0.005699 -0.0517833 -0.0302398 0.0001164 -0.0804364 -0.0067393 -0.1165908 -0.0338499 -0.0014467 -0.0525715 0.0113301 0.0777865 0.0721633 0.0226759 -0.0389684 0.0456007 0.018044 -0.0551359 0.0758128 0.0203456 0.0457487 0.0501583 0.0416113 0.0136811 0.0149555 0.035541 -0.0627347 -0.0936881 0.0164688 -0.0085945 -0.1166137 0.0111594 0.001054 -0.0008631 0.0138865 0.0628181 -0.1221138 -0.0444051 -0.0660161 -0.0467827 0.0628209 -0.013491 -0.0705016 -0.0046274 0.0411395 0.0203936 0.0858783 -0.017963 0.0976282 -0.1479797 0.0220396 -0.0416481 0.0788125 0.0283034 0.0001607 -0.0060063 0.0826343 -0.0513499 0.0691254 0.0410932 0.0806689 -0.0121228 -0.042016 -0.0118974 0.0559335 -0.0173436 0.1388043 -0.1279199 0.0445013 -0.0335327 0.0303789 0.0663206 0.0335749 -0.0183457 0.0027885 -0.0524792 -0.0116874 -0.1121346 -0.0402974 -0.1215216 -0.085875 -0.0077308 -0.0302666 0.0333399 -0.083401 0.0446377 0.050248 0.0968927 0.0565777 -0.0392118 0.2772961 0.0394755 -0.0344386 0.0128814 0.4686564 0.0393273 -0.0546734 0.0492048 0.276766 0.0029738 0.0294564 0.0178918 -0.0053972 0.0109749 0.0935684 0.0359665 0.0914586 0.03727 0.1117846 0.02544 0.0158976 0.0336901 0.1011225 0.0632759 0.0222792 0.070111 0.0503032 0.060422 0.0649088 0.000883 0.068029 -0.0149712 0.0375073 0.0000932 0.0380691 0.0932579 0.038721 -0.0559582 0.0530176 -0.0400276 0.0052281 0.0519743 0.0643626 0.0470515 0.0908454 0.1097959 0.0404206 0.0032219 0.0269175 0.0809285 0.0461505 0.0110127 0.0501288 0.0333498 0.0315224 -0.0437515 0.0261488 -0.0548456 0.0155017 0.0500475 0.0366159 0.0511405 0.1096599 0.0331363 0.0550478 -0.0114364 0.0663307 0.0164717 0.0390507 -0.0058489 0.0366852 0.1196638 322.7505959|-28.8069742|226.0406307|-4.5135249|-19.949921|171.4306537 -0.000003764 -0.000000713 0.000000254 0.000003583 -0.000006135 0.000003298 -0.000001375 0.000005643 -0.000000561 -0.000008542 -0.000000241 0.000005074 0.000003949 -0.000002770 -0.000004348 -0.000001144 0.000001385 0.000001701 -0.000003086 -0.000002916 -0.000003886 0.000002159 -0.000000122 0.000001765 -0.000002762 0.000005854 0.000002301 -0.000003673 -0.000001985 -0.000002663 0.000006307 0.000002965 0.000002073 0.000001693 -0.000000723 -0.000000860 0.000004384 -0.000000162 0.000001226 0.000005928 -0.000001454 -0.000002012 -0.000006130 -0.000002377 0.000000763 -0.000001921 0.000003957 -0.000013446 0.000003881 0.000003410 -0.000002202 0.000001247 -0.000001759 0.000001593 -0.000000502 0.000000150 0.000006855 -0.000003581 -0.000000956 0.000001342 -0.000004182 -0.000000178 -0.000000364 0.000009974 -0.000000890 -0.000002293 -0.000000629 0.000001122 0.000000861 -0.000000530 -0.000001779 -0.000000214 -0.000000782 0.000001958 0.000002497 -0.000000284 0.000001317 0.000000588 -0.000003117 0.000002094 -0.000003018 -0.000002129 0.000000515 -0.000000775 0.000000772 -0.000000560 0.000002079 0.000000061 0.000001252 0.000001339 0.000000177 0.000000152 0.000001876 0.000000527 0.000001890 0.000000730 0.000000336 -0.000001548 -0.000001033 -0.000000178 0.000000046 0.000000577 -0.000001699 0.000000770 -0.000000188 -0.000000021 -0.000001884 -0.000000401 0.000000966 0.000000048 -0.000000473 0.000004650 -0.000001758 0.000002672 0.000000191 -0.000001475 -0.000000826 -0.000000650 -0.000000556 -0.000001741 0.000000452 0.000000418 0.000000184 -0.000000557 -0.000002005 -0.000000342 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 14-Aug-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(C17H20ClN3O)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/triticonazole_Z/gas/CONF2/opt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction triticonazole_Z CONF2 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1942.9755878722 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0524180066 0.000000 8.952679 0.000000 8.373468 2.943478 0.000000 8.706003 2.855843 1.360447 0.000000 7.538614 4.708299 2.195501 2.258810 0.000000 9.331474 2.439582 3.872242 4.546529 5.903671 0.000000 8.468425 1.416862 2.501742 3.075025 4.441625 1.566245 0.000000 8.682724 3.662448 4.305419 5.280171 6.103603 1.544203 2.416881 0.000000 7.003448 2.490614 2.974364 3.656489 4.339355 2.433419 1.535850 2.427223 0.000000 7.155539 3.663884 4.107666 5.019866 5.494197 2.449202 2.482328 1.542124 1.514571 0.000000 8.932683 2.420318 1.455397 2.441547 3.615955 2.575199 1.560024 3.109793 2.524019 3.348588 0.000000 9.530283 2.735021 5.016538 5.414763 6.924967 1.542182 2.524351 2.530765 3.072734 3.069723 3.894962 0.000000 10.768928 3.185090 4.356086 4.995272 6.536337 1.532174 2.602995 2.563184 3.816744 3.828660 2.932597 2.498864 0.000000 6.031941 2.973235 3.078191 3.459939 3.774044 3.698870 2.515794 3.742514 1.339414 2.578140 3.245392 4.136529 5.037768 0.000000 4.566772 4.413836 4.215653 4.599159 4.286980 4.956168 3.931847 4.677815 2.544468 3.238941 4.554971 5.287335 6.360178 1.467382 0.000000 7.655766 4.125165 1.348161 2.206866 1.323217 4.856021 3.527985 4.929397 3.483567 4.466108 2.542840 6.029866 5.455825 3.284719 4.005089 0.000000 4.022793 5.335558 5.345366 5.889760 5.537174 5.354497 4.685683 4.752209 3.159470 3.210154 5.440405 5.548152 6.829225 2.545531 1.405668 5.110334 0.000000 4.018828 5.211440 4.587677 4.733087 3.968160 6.143138 4.924057 5.967157 3.724852 4.582690 5.302055 6.517908 7.464602 2.461338 1.406956 4.115878 2.404135 0.000000 8.197618 4.015743 2.099330 1.325587 1.357636 5.679408 4.152814 6.214121 4.357288 5.717377 3.489737 6.539715 6.235919 3.807294 4.594329 2.096087 5.953181 4.340417 0.000000 2.728883 6.675640 6.493604 6.998797 6.327623 6.732126 6.058991 6.040897 4.535082 4.507266 6.724784 6.893736 8.201007 3.811350 2.438608 6.061519 1.391256 2.779263 6.865842 0.000000 2.729948 6.577505 5.878799 6.050022 4.999426 7.378351 6.245994 7.041182 4.948412 5.574327 6.610117 7.702142 8.739121 3.757184 2.443519 5.240635 2.788555 1.389402 5.515004 2.419669 0.000000 1.759447 7.199443 6.709201 7.056675 6.088991 7.620039 6.716162 7.060956 5.264317 5.531210 7.219065 7.853067 9.052706 4.272755 2.807333 6.105535 2.403298 2.397064 6.670402 1.391182 1.391570 0.000000 9.178705 4.496810 5.393431 6.342734 7.185752 2.197086 3.390012 1.092249 3.349796 2.206683 4.159950 2.691305 2.963280 4.625727 5.429341 6.008000 5.272210 6.781118 7.295823 6.486894 7.769513 7.631100 0.000000 9.004210 4.169300 4.124602 5.271893 5.898505 2.180461 2.814768 1.095164 2.951547 2.182232 2.923503 3.470706 2.695166 4.197639 5.104430 4.626753 5.242906 6.289957 6.155223 6.470676 7.346991 7.413913 1.754648 0.000000 6.973795 4.112109 5.032834 5.799765 6.329876 2.955221 3.181956 2.172428 2.149542 1.094605 4.304357 3.026214 4.402762 2.961465 3.371373 5.407068 3.017211 4.777893 6.481198 4.248769 5.645932 5.417649 2.392907 3.033934 0.000000 6.645407 4.542444 4.345719 5.398461 5.430897 3.384485 3.286036 2.214319 2.181767 1.094537 3.778587 4.146673 4.616138 2.916245 3.194061 4.383479 2.968759 4.447503 5.907613 4.095638 5.271655 5.114738 2.776441 2.416765 1.752998 0.000000 8.890943 3.369727 2.060475 3.310245 3.933734 2.784948 2.204276 2.792492 2.773519 3.146637 1.089511 4.268729 3.080723 3.619842 4.738981 2.664430 5.434473 5.553082 4.149303 6.664399 6.758332 7.233593 3.809900 2.261609 4.208605 3.328936 0.000000 9.993431 2.620482 2.066435 2.679391 4.208279 2.853534 2.177196 3.688114 3.467657 4.234332 1.089780 4.118875 2.653395 4.211576 5.577743 3.267530 6.486626 6.282224 3.865745 7.788591 7.615587 8.273327 4.632381 3.457263 5.138477 4.746859 1.775644 0.000000 8.649003 2.888913 5.152287 5.502145 6.829059 2.200784 2.718524 2.793897 2.737082 2.763407 4.242567 1.092253 3.470665 3.596468 4.571056 6.027846 4.728393 5.822975 6.488517 6.030379 6.930077 7.007021 2.973399 3.844552 2.427204 3.838395 4.626437 4.679969 0.000000 10.168105 3.801228 5.948712 6.437637 7.899677 2.168837 3.477842 2.771911 3.938130 3.561398 4.720303 1.093855 2.750858 5.067483 6.111652 6.929150 6.179696 7.408125 7.575766 7.475754 8.526866 8.545141 2.490318 3.686981 3.375065 4.563930 4.928833 4.881150 1.773025 0.000000 10.137373 2.488590 5.161784 5.308568 7.082910 2.178412 2.825144 3.483936 3.662916 3.995277 4.129274 1.090074 2.715812 4.558425 5.804924 6.309067 6.238880 6.912928 6.495105 7.586345 8.155237 8.438940 3.725501 4.316276 3.994445 5.078965 4.715734 4.143679 1.757146 1.776163 0.000000 11.404376 4.086438 5.427459 6.080890 7.595572 2.165051 3.537963 2.888235 4.578850 4.305809 3.990192 2.672420 1.093572 5.854995 7.104502 6.484141 7.410808 8.293252 7.320204 8.761756 9.523209 9.719997 2.875088 3.084941 4.708446 5.090513 4.011884 3.727004 3.710768 2.469651 2.950424 0.000000 10.913577 3.735610 4.112481 4.928858 6.257347 2.198447 2.939945 2.775274 4.099054 4.067745 2.695303 3.473869 1.093475 5.297947 6.581256 5.100033 7.082118 7.618629 6.102554 8.418470 8.874752 9.218855 3.278251 2.453987 4.830722 4.642815 2.565680 2.333143 4.351294 3.722905 3.764836 1.759185 0.000000 11.254200 2.914704 4.396358 4.754717 6.575515 2.173567 2.827229 3.505509 4.253742 4.582050 3.120348 2.791012 1.093473 5.324875 6.736655 5.638249 7.361265 7.736749 6.062327 8.749902 9.069209 9.508626 3.961698 3.694026 5.119929 5.434221 3.570211 2.557870 3.776996 3.187967 2.561106 1.766605 1.775593 0.000000 8.890032 0.970596 2.464667 2.015961 4.017133 3.263400 1.965897 4.372449 2.883499 4.241453 2.421226 3.703485 3.876926 3.024642 4.424790 3.639152 5.536210 4.978915 3.161466 6.810650 6.364036 7.153922 5.295680 4.732451 4.779585 4.983770 3.476589 2.587611 3.798256 4.768250 3.420519 4.859987 4.244524 3.519640 0.000000 6.504644 2.652025 2.735482 2.700253 3.271128 4.076180 2.655615 4.453880 2.066120 3.511881 3.218718 4.487140 5.253627 1.086995 2.147228 3.071843 3.436058 2.597529 2.996710 4.573255 3.980249 4.779054 5.394573 4.861720 3.928403 3.922657 3.850884 4.040711 4.041472 5.518124 4.663303 6.165050 5.520824 5.326606 2.393039 0.000000 7.464056 4.762301 2.135869 3.234934 2.148170 4.993016 3.881482 4.741297 3.632317 4.273894 2.883034 6.266022 5.603148 3.586290 4.103580 1.078782 4.980280 4.323127 3.152685 5.857087 5.300385 5.984259 5.765715 4.281729 5.262894 3.952513 2.574566 3.691267 6.262706 7.060948 6.705132 6.552861 5.132295 5.972423 4.443229 3.680662 0.000000 4.855653 5.214607 5.551148 6.205473 6.115477 4.811124 4.450806 4.068331 2.955526 2.570054 5.357167 4.909483 6.299193 2.802081 2.163076 5.490342 1.080012 3.393619 6.475830 2.126793 3.868088 3.371544 4.424364 4.660038 2.133364 2.409472 5.277670 6.366654 4.088834 5.402192 5.712964 6.753741 6.610165 6.921292 5.596101 3.821597 5.298758 0.000000 4.866819 4.965924 4.126345 4.032681 3.231478 6.250966 4.863563 6.287517 3.938849 5.051787 5.067623 6.696537 7.451658 2.643754 2.155079 3.660713 3.389997 1.084470 3.464122 3.863676 2.136922 3.376392 7.196732 6.551084 5.381293 5.017879 5.456136 5.954485 6.104712 7.670056 6.951453 8.365818 7.571368 7.593518 4.543338 2.336189 4.094905 4.298276 0.000000 8.511236 4.630899 3.139084 2.103871 2.151777 6.544820 5.007748 7.177127 5.212758 6.635042 4.471889 7.268114 7.090832 4.522501 5.196613 3.138664 6.593097 4.730818 1.079212 7.414230 5.808768 7.069620 8.245783 7.182071 7.320623 6.863073 5.198945 4.745274 7.172596 8.333573 7.111787 8.171629 7.022750 6.806402 3.702933 3.583519 4.166110 7.196056 3.723950 0.000000 2.862196 7.455818 7.394503 7.974604 7.332227 7.250563 6.770509 6.414622 5.237064 4.931860 7.496146 7.331472 8.722406 4.695433 3.419587 6.981478 2.153861 3.861820 7.899805 1.082634 3.397658 2.147581 6.698997 6.863376 4.521676 4.459675 7.350579 8.557863 6.446701 7.781809 8.099904 9.177306 8.956725 9.348077 7.683531 5.535732 6.685318 2.452521 4.946229 8.478568 0.000000 2.867290 7.298151 6.412564 6.449584 5.198271 8.287363 7.062027 8.017034 5.859924 6.583476 7.307691 8.639833 9.600108 4.615325 3.424376 5.675378 3.871003 2.154234 5.719258 3.398811 1.082465 2.149875 8.787480 8.274793 6.702393 6.272978 7.494349 8.272032 7.888477 9.505204 9.026365 10.431895 9.700870 9.869460 6.970244 4.652043 5.794830 4.950476 2.468545 5.849782 4.288244 0.000000 C17H20ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4311790 0.1509343 0.1214845 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 NBasis= 612 RedAO= T EigKep= 1.03D-06 NBF= 612 NBsUse= 609 1.00D-06 EigRej= 7.44D-07 NBFU= 609 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 627 627 627 627 627 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1359.82316504489 -1359.82316504484 0.000000000049 -1359.82316504 2 1.354835013059e+03 -7.070963946301e+03 2.413382598332e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3774052475 LenY= 3773649885 Requested convergence on RMS density matrix=1.00D-08 within 128 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. PT1200.300S Sat Aug 14 09:36:14 2021 GINC-BELVIS19 PAULAPLA 14-Aug-2021 0 Wavefunction triticonazole_Z CONF2 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1359.823165 RMSD=4.151e-10 Dipole=-1.1011933,0.6148772,-0.939256 Quadrupole=-5.5770406,2.5036135,3.0734271,-0.163508,6.3032394,-5.2363122 PG=C01 [X(C17H20Cl1N3O1)] 0 6.0036489364 0.1070310274 -0.2764774112 0 -2.7450714946 0.2751981904 1.6161568004 0 -2.1373739669 -1.8516095078 -0.3258670204 0 -2.2380329169 -2.4414235563 0.8959364803 0 -0.6392600692 -3.4565374427 -0.3351978362 0 -3.1571048629 1.8808510944 -0.1737228801 0 -2.4353192787 0.5613911848 0.2635135303 0 -2.3187660215 2.3148040755 -1.3957853291 0 -0.9542949592 0.8593767986 -0.0132645754 0 -0.8597667352 1.9909077126 -1.015575324 0 -2.8910168303 -0.6415520972 -0.6190632441 0 -3.0187304801 2.9163728158 0.960681133 0 -4.6433381382 1.707073638 -0.5030689727 0 0.0294033343 0.1496157848 0.5547201599 0 1.4798814412 0.2082733672 0.340521338 0 -1.1674251327 -2.4645540069 -1.0337060636 0 2.1673253537 1.3143996385 -0.188446927 0 2.2403191045 -0.9241578787 0.685279642 0 -1.3226470399 -3.398351742 0.8364562389 0 3.5459862766 1.2890976072 -0.3735098038 0 3.6161340384 -0.9676982375 0.4964033836 0 4.2612690256 0.144918634 -0.034963784 0 -2.4672582602 3.3703430912 -1.6341040414 0 -2.6196434538 1.7470955265 -2.2826695614 0 -0.3958298653 2.8650796376 -0.5478723498 0 -0.2369513962 1.7349089511 -1.8784638375 0 -2.7595997109 -0.4280547349 -1.6793377874 0 -3.9426591758 -0.8509317385 -0.4245644411 0 -1.9819691346 3.0412610119 1.2809087159 0 -3.3937141943 3.8855863146 0.6193129767 0 -3.5916859176 2.6051671326 1.8342570329 0 -5.0981931121 2.6815830154 -0.7014079358 0 -4.8085271584 1.0887538647 -1.3896809909 0 -5.1747443703 1.2563575563 0.3396318404 0 -2.6088988584 -0.6707607006 1.7854931035 0 -0.2754994795 -0.6221903318 1.2567932667 0 -0.8879109109 -2.1606712494 -2.0303490954 0 1.6346669352 2.2194849988 -0.4404835451 0 1.7378222369 -1.7955198921 1.0906182372 0 -1.1526442712 -4.0730603105 1.6614198567 0 4.063523329 2.1517798014 -0.7735501392 0 4.1830785562 -1.852193876 0.7571157469 Gaussian 16 14-Aug-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(C17H20ClN3O)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/triticonazole_Z/gas/CONF2/opt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum triticonazole_Z CONF2 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1942.9755878722 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0524180066 0.000000 8.952679 0.000000 8.373468 2.943478 0.000000 8.706003 2.855843 1.360447 0.000000 7.538614 4.708299 2.195501 2.258810 0.000000 9.331474 2.439582 3.872242 4.546529 5.903671 0.000000 8.468425 1.416862 2.501742 3.075025 4.441625 1.566245 0.000000 8.682724 3.662448 4.305419 5.280171 6.103603 1.544203 2.416881 0.000000 7.003448 2.490614 2.974364 3.656489 4.339355 2.433419 1.535850 2.427223 0.000000 7.155539 3.663884 4.107666 5.019866 5.494197 2.449202 2.482328 1.542124 1.514571 0.000000 8.932683 2.420318 1.455397 2.441547 3.615955 2.575199 1.560024 3.109793 2.524019 3.348588 0.000000 9.530283 2.735021 5.016538 5.414763 6.924967 1.542182 2.524351 2.530765 3.072734 3.069723 3.894962 0.000000 10.768928 3.185090 4.356086 4.995272 6.536337 1.532174 2.602995 2.563184 3.816744 3.828660 2.932597 2.498864 0.000000 6.031941 2.973235 3.078191 3.459939 3.774044 3.698870 2.515794 3.742514 1.339414 2.578140 3.245392 4.136529 5.037768 0.000000 4.566772 4.413836 4.215653 4.599159 4.286980 4.956168 3.931847 4.677815 2.544468 3.238941 4.554971 5.287335 6.360178 1.467382 0.000000 7.655766 4.125165 1.348161 2.206866 1.323217 4.856021 3.527985 4.929397 3.483567 4.466108 2.542840 6.029866 5.455825 3.284719 4.005089 0.000000 4.022793 5.335558 5.345366 5.889760 5.537174 5.354497 4.685683 4.752209 3.159470 3.210154 5.440405 5.548152 6.829225 2.545531 1.405668 5.110334 0.000000 4.018828 5.211440 4.587677 4.733087 3.968160 6.143138 4.924057 5.967157 3.724852 4.582690 5.302055 6.517908 7.464602 2.461338 1.406956 4.115878 2.404135 0.000000 8.197618 4.015743 2.099330 1.325587 1.357636 5.679408 4.152814 6.214121 4.357288 5.717377 3.489737 6.539715 6.235919 3.807294 4.594329 2.096087 5.953181 4.340417 0.000000 2.728883 6.675640 6.493604 6.998797 6.327623 6.732126 6.058991 6.040897 4.535082 4.507266 6.724784 6.893736 8.201007 3.811350 2.438608 6.061519 1.391256 2.779263 6.865842 0.000000 2.729948 6.577505 5.878799 6.050022 4.999426 7.378351 6.245994 7.041182 4.948412 5.574327 6.610117 7.702142 8.739121 3.757184 2.443519 5.240635 2.788555 1.389402 5.515004 2.419669 0.000000 1.759447 7.199443 6.709201 7.056675 6.088991 7.620039 6.716162 7.060956 5.264317 5.531210 7.219065 7.853067 9.052706 4.272755 2.807333 6.105535 2.403298 2.397064 6.670402 1.391182 1.391570 0.000000 9.178705 4.496810 5.393431 6.342734 7.185752 2.197086 3.390012 1.092249 3.349796 2.206683 4.159950 2.691305 2.963280 4.625727 5.429341 6.008000 5.272210 6.781118 7.295823 6.486894 7.769513 7.631100 0.000000 9.004210 4.169300 4.124602 5.271893 5.898505 2.180461 2.814768 1.095164 2.951547 2.182232 2.923503 3.470706 2.695166 4.197639 5.104430 4.626753 5.242906 6.289957 6.155223 6.470676 7.346991 7.413913 1.754648 0.000000 6.973795 4.112109 5.032834 5.799765 6.329876 2.955221 3.181956 2.172428 2.149542 1.094605 4.304357 3.026214 4.402762 2.961465 3.371373 5.407068 3.017211 4.777893 6.481198 4.248769 5.645932 5.417649 2.392907 3.033934 0.000000 6.645407 4.542444 4.345719 5.398461 5.430897 3.384485 3.286036 2.214319 2.181767 1.094537 3.778587 4.146673 4.616138 2.916245 3.194061 4.383479 2.968759 4.447503 5.907613 4.095638 5.271655 5.114738 2.776441 2.416765 1.752998 0.000000 8.890943 3.369727 2.060475 3.310245 3.933734 2.784948 2.204276 2.792492 2.773519 3.146637 1.089511 4.268729 3.080723 3.619842 4.738981 2.664430 5.434473 5.553082 4.149303 6.664399 6.758332 7.233593 3.809900 2.261609 4.208605 3.328936 0.000000 9.993431 2.620482 2.066435 2.679391 4.208279 2.853534 2.177196 3.688114 3.467657 4.234332 1.089780 4.118875 2.653395 4.211576 5.577743 3.267530 6.486626 6.282224 3.865745 7.788591 7.615587 8.273327 4.632381 3.457263 5.138477 4.746859 1.775644 0.000000 8.649003 2.888913 5.152287 5.502145 6.829059 2.200784 2.718524 2.793897 2.737082 2.763407 4.242567 1.092253 3.470665 3.596468 4.571056 6.027846 4.728393 5.822975 6.488517 6.030379 6.930077 7.007021 2.973399 3.844552 2.427204 3.838395 4.626437 4.679969 0.000000 10.168105 3.801228 5.948712 6.437637 7.899677 2.168837 3.477842 2.771911 3.938130 3.561398 4.720303 1.093855 2.750858 5.067483 6.111652 6.929150 6.179696 7.408125 7.575766 7.475754 8.526866 8.545141 2.490318 3.686981 3.375065 4.563930 4.928833 4.881150 1.773025 0.000000 10.137373 2.488590 5.161784 5.308568 7.082910 2.178412 2.825144 3.483936 3.662916 3.995277 4.129274 1.090074 2.715812 4.558425 5.804924 6.309067 6.238880 6.912928 6.495105 7.586345 8.155237 8.438940 3.725501 4.316276 3.994445 5.078965 4.715734 4.143679 1.757146 1.776163 0.000000 11.404376 4.086438 5.427459 6.080890 7.595572 2.165051 3.537963 2.888235 4.578850 4.305809 3.990192 2.672420 1.093572 5.854995 7.104502 6.484141 7.410808 8.293252 7.320204 8.761756 9.523209 9.719997 2.875088 3.084941 4.708446 5.090513 4.011884 3.727004 3.710768 2.469651 2.950424 0.000000 10.913577 3.735610 4.112481 4.928858 6.257347 2.198447 2.939945 2.775274 4.099054 4.067745 2.695303 3.473869 1.093475 5.297947 6.581256 5.100033 7.082118 7.618629 6.102554 8.418470 8.874752 9.218855 3.278251 2.453987 4.830722 4.642815 2.565680 2.333143 4.351294 3.722905 3.764836 1.759185 0.000000 11.254200 2.914704 4.396358 4.754717 6.575515 2.173567 2.827229 3.505509 4.253742 4.582050 3.120348 2.791012 1.093473 5.324875 6.736655 5.638249 7.361265 7.736749 6.062327 8.749902 9.069209 9.508626 3.961698 3.694026 5.119929 5.434221 3.570211 2.557870 3.776996 3.187967 2.561106 1.766605 1.775593 0.000000 8.890032 0.970596 2.464667 2.015961 4.017133 3.263400 1.965897 4.372449 2.883499 4.241453 2.421226 3.703485 3.876926 3.024642 4.424790 3.639152 5.536210 4.978915 3.161466 6.810650 6.364036 7.153922 5.295680 4.732451 4.779585 4.983770 3.476589 2.587611 3.798256 4.768250 3.420519 4.859987 4.244524 3.519640 0.000000 6.504644 2.652025 2.735482 2.700253 3.271128 4.076180 2.655615 4.453880 2.066120 3.511881 3.218718 4.487140 5.253627 1.086995 2.147228 3.071843 3.436058 2.597529 2.996710 4.573255 3.980249 4.779054 5.394573 4.861720 3.928403 3.922657 3.850884 4.040711 4.041472 5.518124 4.663303 6.165050 5.520824 5.326606 2.393039 0.000000 7.464056 4.762301 2.135869 3.234934 2.148170 4.993016 3.881482 4.741297 3.632317 4.273894 2.883034 6.266022 5.603148 3.586290 4.103580 1.078782 4.980280 4.323127 3.152685 5.857087 5.300385 5.984259 5.765715 4.281729 5.262894 3.952513 2.574566 3.691267 6.262706 7.060948 6.705132 6.552861 5.132295 5.972423 4.443229 3.680662 0.000000 4.855653 5.214607 5.551148 6.205473 6.115477 4.811124 4.450806 4.068331 2.955526 2.570054 5.357167 4.909483 6.299193 2.802081 2.163076 5.490342 1.080012 3.393619 6.475830 2.126793 3.868088 3.371544 4.424364 4.660038 2.133364 2.409472 5.277670 6.366654 4.088834 5.402192 5.712964 6.753741 6.610165 6.921292 5.596101 3.821597 5.298758 0.000000 4.866819 4.965924 4.126345 4.032681 3.231478 6.250966 4.863563 6.287517 3.938849 5.051787 5.067623 6.696537 7.451658 2.643754 2.155079 3.660713 3.389997 1.084470 3.464122 3.863676 2.136922 3.376392 7.196732 6.551084 5.381293 5.017879 5.456136 5.954485 6.104712 7.670056 6.951453 8.365818 7.571368 7.593518 4.543338 2.336189 4.094905 4.298276 0.000000 8.511236 4.630899 3.139084 2.103871 2.151777 6.544820 5.007748 7.177127 5.212758 6.635042 4.471889 7.268114 7.090832 4.522501 5.196613 3.138664 6.593097 4.730818 1.079212 7.414230 5.808768 7.069620 8.245783 7.182071 7.320623 6.863073 5.198945 4.745274 7.172596 8.333573 7.111787 8.171629 7.022750 6.806402 3.702933 3.583519 4.166110 7.196056 3.723950 0.000000 2.862196 7.455818 7.394503 7.974604 7.332227 7.250563 6.770509 6.414622 5.237064 4.931860 7.496146 7.331472 8.722406 4.695433 3.419587 6.981478 2.153861 3.861820 7.899805 1.082634 3.397658 2.147581 6.698997 6.863376 4.521676 4.459675 7.350579 8.557863 6.446701 7.781809 8.099904 9.177306 8.956725 9.348077 7.683531 5.535732 6.685318 2.452521 4.946229 8.478568 0.000000 2.867290 7.298151 6.412564 6.449584 5.198271 8.287363 7.062027 8.017034 5.859924 6.583476 7.307691 8.639833 9.600108 4.615325 3.424376 5.675378 3.871003 2.154234 5.719258 3.398811 1.082465 2.149875 8.787480 8.274793 6.702393 6.272978 7.494349 8.272032 7.888477 9.505204 9.026365 10.431895 9.700870 9.869460 6.970244 4.652043 5.794830 4.950476 2.468545 5.849782 4.288244 0.000000 C17H20ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4311790 0.1509343 0.1214845 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 NBasis= 612 RedAO= T EigKep= 1.03D-06 NBF= 612 NBsUse= 609 1.00D-06 EigRej= 7.44D-07 NBFU= 609 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 627 627 627 627 627 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1359.82316504489 -1359.82316504 1 1.354835013087e+03 -7.070963946262e+03 2.413382598265e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3774052475 LenY= 3773649885 Requested convergence on RMS density matrix=1.00D-08 within 128 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. 1 Singlet-A 4.5539 272.26 0.5125 0.000 83 85 0.13096 84 85 0.63561 84 86 0.22529 84 87 -0.12557 -1359.65581101 2 Singlet-A 4.6503 266.62 0.1317 0.000 83 85 0.30177 84 85 -0.27800 84 86 0.56051 84 87 -0.10650 3 Singlet-A 4.8739 254.38 0.0199 0.000 84 86 0.20276 84 87 0.66272 4 Singlet-A 5.2641 235.53 0.0031 0.000 84 88 0.66983 84 89 0.18839 5 Singlet-A 5.4086 229.24 0.0069 0.000 80 85 0.16025 82 85 0.67232 6 Singlet-A 5.5077 225.11 0.0009 0.000 84 88 -0.17958 84 89 0.64142 84 91 -0.13344 84 92 0.12919 7 Singlet-A 5.6127 220.90 0.0743 0.000 80 86 0.16064 82 86 -0.12950 83 85 0.56356 84 86 -0.27652 84 87 0.14851 8 Singlet-A 5.7290 216.42 0.0010 0.000 80 85 0.41263 81 85 -0.12054 84 90 0.42138 84 92 -0.20914 84 93 -0.19566 84 94 0.15405 9 Singlet-A 5.7648 215.07 0.0042 0.000 80 85 0.14111 81 85 0.67830 82 85 -0.10002 10 Singlet-A 5.8250 212.85 0.0032 0.000 80 85 -0.13041 84 89 0.19199 84 90 0.10598 84 91 0.55578 84 92 -0.28383 84 93 -0.11148 PT40589.500S Sat Aug 14 10:18:33 2021 GINC-BELVIS19 PAULAPLA 14-Aug-2021 0 Electronic spectrum triticonazole_Z CONF2 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1359.823165 RMSD=5.021e-09 PG=C01[X(C17H20Cl1N3O1)] 0 6.0036489364 0.1070310274 -0.2764774112 0 -2.7450714946 0.2751981904 1.6161568004 0 -2.1373739669 -1.8516095078 -0.3258670204 0 -2.2380329169 -2.4414235563 0.8959364803 0 -0.6392600692 -3.4565374427 -0.3351978362 0 -3.1571048629 1.8808510944 -0.1737228801 0 -2.4353192787 0.5613911848 0.2635135303 0 -2.3187660215 2.3148040755 -1.3957853291 0 -0.9542949592 0.8593767986 -0.0132645754 0 -0.8597667352 1.9909077126 -1.015575324 0 -2.8910168303 -0.6415520972 -0.6190632441 0 -3.0187304801 2.9163728158 0.960681133 0 -4.6433381382 1.707073638 -0.5030689727 0 0.0294033343 0.1496157848 0.5547201599 0 1.4798814412 0.2082733672 0.340521338 0 -1.1674251327 -2.4645540069 -1.0337060636 0 2.1673253537 1.3143996385 -0.188446927 0 2.2403191045 -0.9241578787 0.685279642 0 -1.3226470399 -3.398351742 0.8364562389 0 3.5459862766 1.2890976072 -0.3735098038 0 3.6161340384 -0.9676982375 0.4964033836 0 4.2612690256 0.144918634 -0.034963784 0 -2.4672582602 3.3703430912 -1.6341040414 0 -2.6196434538 1.7470955265 -2.2826695614 0 -0.3958298653 2.8650796376 -0.5478723498 0 -0.2369513962 1.7349089511 -1.8784638375 0 -2.7595997109 -0.4280547349 -1.6793377874 0 -3.9426591758 -0.8509317385 -0.4245644411 0 -1.9819691346 3.0412610119 1.2809087159 0 -3.3937141943 3.8855863146 0.6193129767 0 -3.5916859176 2.6051671326 1.8342570329 0 -5.0981931121 2.6815830154 -0.7014079358 0 -4.8085271584 1.0887538647 -1.3896809909 0 -5.1747443703 1.2563575563 0.3396318404 0 -2.6088988584 -0.6707607006 1.7854931035 0 -0.2754994795 -0.6221903318 1.2567932667 0 -0.8879109109 -2.1606712494 -2.0303490954 0 1.6346669352 2.2194849988 -0.4404835451 0 1.7378222369 -1.7955198921 1.0906182372 0 -1.1526442712 -4.0730603105 1.6614198567 0 4.063523329 2.1517798014 -0.7735501392 0 4.1830785562 -1.852193876 0.7571157469 Gaussian 16 14-Aug-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(C17H20ClN3O)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/triticonazole_Z/gas/CONF2/opt #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point triticonazole_Z CONF2 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1178 A 1046 A 1046 1513 1178 84 84 1942.9755878722 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0524180066 0.000000 8.952679 0.000000 8.373468 2.943478 0.000000 8.706003 2.855843 1.360447 0.000000 7.538614 4.708299 2.195501 2.258810 0.000000 9.331474 2.439582 3.872242 4.546529 5.903671 0.000000 8.468425 1.416862 2.501742 3.075025 4.441625 1.566245 0.000000 8.682724 3.662448 4.305419 5.280171 6.103603 1.544203 2.416881 0.000000 7.003448 2.490614 2.974364 3.656489 4.339355 2.433419 1.535850 2.427223 0.000000 7.155539 3.663884 4.107666 5.019866 5.494197 2.449202 2.482328 1.542124 1.514571 0.000000 8.932683 2.420318 1.455397 2.441547 3.615955 2.575199 1.560024 3.109793 2.524019 3.348588 0.000000 9.530283 2.735021 5.016538 5.414763 6.924967 1.542182 2.524351 2.530765 3.072734 3.069723 3.894962 0.000000 10.768928 3.185090 4.356086 4.995272 6.536337 1.532174 2.602995 2.563184 3.816744 3.828660 2.932597 2.498864 0.000000 6.031941 2.973235 3.078191 3.459939 3.774044 3.698870 2.515794 3.742514 1.339414 2.578140 3.245392 4.136529 5.037768 0.000000 4.566772 4.413836 4.215653 4.599159 4.286980 4.956168 3.931847 4.677815 2.544468 3.238941 4.554971 5.287335 6.360178 1.467382 0.000000 7.655766 4.125165 1.348161 2.206866 1.323217 4.856021 3.527985 4.929397 3.483567 4.466108 2.542840 6.029866 5.455825 3.284719 4.005089 0.000000 4.022793 5.335558 5.345366 5.889760 5.537174 5.354497 4.685683 4.752209 3.159470 3.210154 5.440405 5.548152 6.829225 2.545531 1.405668 5.110334 0.000000 4.018828 5.211440 4.587677 4.733087 3.968160 6.143138 4.924057 5.967157 3.724852 4.582690 5.302055 6.517908 7.464602 2.461338 1.406956 4.115878 2.404135 0.000000 8.197618 4.015743 2.099330 1.325587 1.357636 5.679408 4.152814 6.214121 4.357288 5.717377 3.489737 6.539715 6.235919 3.807294 4.594329 2.096087 5.953181 4.340417 0.000000 2.728883 6.675640 6.493604 6.998797 6.327623 6.732126 6.058991 6.040897 4.535082 4.507266 6.724784 6.893736 8.201007 3.811350 2.438608 6.061519 1.391256 2.779263 6.865842 0.000000 2.729948 6.577505 5.878799 6.050022 4.999426 7.378351 6.245994 7.041182 4.948412 5.574327 6.610117 7.702142 8.739121 3.757184 2.443519 5.240635 2.788555 1.389402 5.515004 2.419669 0.000000 1.759447 7.199443 6.709201 7.056675 6.088991 7.620039 6.716162 7.060956 5.264317 5.531210 7.219065 7.853067 9.052706 4.272755 2.807333 6.105535 2.403298 2.397064 6.670402 1.391182 1.391570 0.000000 9.178705 4.496810 5.393431 6.342734 7.185752 2.197086 3.390012 1.092249 3.349796 2.206683 4.159950 2.691305 2.963280 4.625727 5.429341 6.008000 5.272210 6.781118 7.295823 6.486894 7.769513 7.631100 0.000000 9.004210 4.169300 4.124602 5.271893 5.898505 2.180461 2.814768 1.095164 2.951547 2.182232 2.923503 3.470706 2.695166 4.197639 5.104430 4.626753 5.242906 6.289957 6.155223 6.470676 7.346991 7.413913 1.754648 0.000000 6.973795 4.112109 5.032834 5.799765 6.329876 2.955221 3.181956 2.172428 2.149542 1.094605 4.304357 3.026214 4.402762 2.961465 3.371373 5.407068 3.017211 4.777893 6.481198 4.248769 5.645932 5.417649 2.392907 3.033934 0.000000 6.645407 4.542444 4.345719 5.398461 5.430897 3.384485 3.286036 2.214319 2.181767 1.094537 3.778587 4.146673 4.616138 2.916245 3.194061 4.383479 2.968759 4.447503 5.907613 4.095638 5.271655 5.114738 2.776441 2.416765 1.752998 0.000000 8.890943 3.369727 2.060475 3.310245 3.933734 2.784948 2.204276 2.792492 2.773519 3.146637 1.089511 4.268729 3.080723 3.619842 4.738981 2.664430 5.434473 5.553082 4.149303 6.664399 6.758332 7.233593 3.809900 2.261609 4.208605 3.328936 0.000000 9.993431 2.620482 2.066435 2.679391 4.208279 2.853534 2.177196 3.688114 3.467657 4.234332 1.089780 4.118875 2.653395 4.211576 5.577743 3.267530 6.486626 6.282224 3.865745 7.788591 7.615587 8.273327 4.632381 3.457263 5.138477 4.746859 1.775644 0.000000 8.649003 2.888913 5.152287 5.502145 6.829059 2.200784 2.718524 2.793897 2.737082 2.763407 4.242567 1.092253 3.470665 3.596468 4.571056 6.027846 4.728393 5.822975 6.488517 6.030379 6.930077 7.007021 2.973399 3.844552 2.427204 3.838395 4.626437 4.679969 0.000000 10.168105 3.801228 5.948712 6.437637 7.899677 2.168837 3.477842 2.771911 3.938130 3.561398 4.720303 1.093855 2.750858 5.067483 6.111652 6.929150 6.179696 7.408125 7.575766 7.475754 8.526866 8.545141 2.490318 3.686981 3.375065 4.563930 4.928833 4.881150 1.773025 0.000000 10.137373 2.488590 5.161784 5.308568 7.082910 2.178412 2.825144 3.483936 3.662916 3.995277 4.129274 1.090074 2.715812 4.558425 5.804924 6.309067 6.238880 6.912928 6.495105 7.586345 8.155237 8.438940 3.725501 4.316276 3.994445 5.078965 4.715734 4.143679 1.757146 1.776163 0.000000 11.404376 4.086438 5.427459 6.080890 7.595572 2.165051 3.537963 2.888235 4.578850 4.305809 3.990192 2.672420 1.093572 5.854995 7.104502 6.484141 7.410808 8.293252 7.320204 8.761756 9.523209 9.719997 2.875088 3.084941 4.708446 5.090513 4.011884 3.727004 3.710768 2.469651 2.950424 0.000000 10.913577 3.735610 4.112481 4.928858 6.257347 2.198447 2.939945 2.775274 4.099054 4.067745 2.695303 3.473869 1.093475 5.297947 6.581256 5.100033 7.082118 7.618629 6.102554 8.418470 8.874752 9.218855 3.278251 2.453987 4.830722 4.642815 2.565680 2.333143 4.351294 3.722905 3.764836 1.759185 0.000000 11.254200 2.914704 4.396358 4.754717 6.575515 2.173567 2.827229 3.505509 4.253742 4.582050 3.120348 2.791012 1.093473 5.324875 6.736655 5.638249 7.361265 7.736749 6.062327 8.749902 9.069209 9.508626 3.961698 3.694026 5.119929 5.434221 3.570211 2.557870 3.776996 3.187967 2.561106 1.766605 1.775593 0.000000 8.890032 0.970596 2.464667 2.015961 4.017133 3.263400 1.965897 4.372449 2.883499 4.241453 2.421226 3.703485 3.876926 3.024642 4.424790 3.639152 5.536210 4.978915 3.161466 6.810650 6.364036 7.153922 5.295680 4.732451 4.779585 4.983770 3.476589 2.587611 3.798256 4.768250 3.420519 4.859987 4.244524 3.519640 0.000000 6.504644 2.652025 2.735482 2.700253 3.271128 4.076180 2.655615 4.453880 2.066120 3.511881 3.218718 4.487140 5.253627 1.086995 2.147228 3.071843 3.436058 2.597529 2.996710 4.573255 3.980249 4.779054 5.394573 4.861720 3.928403 3.922657 3.850884 4.040711 4.041472 5.518124 4.663303 6.165050 5.520824 5.326606 2.393039 0.000000 7.464056 4.762301 2.135869 3.234934 2.148170 4.993016 3.881482 4.741297 3.632317 4.273894 2.883034 6.266022 5.603148 3.586290 4.103580 1.078782 4.980280 4.323127 3.152685 5.857087 5.300385 5.984259 5.765715 4.281729 5.262894 3.952513 2.574566 3.691267 6.262706 7.060948 6.705132 6.552861 5.132295 5.972423 4.443229 3.680662 0.000000 4.855653 5.214607 5.551148 6.205473 6.115477 4.811124 4.450806 4.068331 2.955526 2.570054 5.357167 4.909483 6.299193 2.802081 2.163076 5.490342 1.080012 3.393619 6.475830 2.126793 3.868088 3.371544 4.424364 4.660038 2.133364 2.409472 5.277670 6.366654 4.088834 5.402192 5.712964 6.753741 6.610165 6.921292 5.596101 3.821597 5.298758 0.000000 4.866819 4.965924 4.126345 4.032681 3.231478 6.250966 4.863563 6.287517 3.938849 5.051787 5.067623 6.696537 7.451658 2.643754 2.155079 3.660713 3.389997 1.084470 3.464122 3.863676 2.136922 3.376392 7.196732 6.551084 5.381293 5.017879 5.456136 5.954485 6.104712 7.670056 6.951453 8.365818 7.571368 7.593518 4.543338 2.336189 4.094905 4.298276 0.000000 8.511236 4.630899 3.139084 2.103871 2.151777 6.544820 5.007748 7.177127 5.212758 6.635042 4.471889 7.268114 7.090832 4.522501 5.196613 3.138664 6.593097 4.730818 1.079212 7.414230 5.808768 7.069620 8.245783 7.182071 7.320623 6.863073 5.198945 4.745274 7.172596 8.333573 7.111787 8.171629 7.022750 6.806402 3.702933 3.583519 4.166110 7.196056 3.723950 0.000000 2.862196 7.455818 7.394503 7.974604 7.332227 7.250563 6.770509 6.414622 5.237064 4.931860 7.496146 7.331472 8.722406 4.695433 3.419587 6.981478 2.153861 3.861820 7.899805 1.082634 3.397658 2.147581 6.698997 6.863376 4.521676 4.459675 7.350579 8.557863 6.446701 7.781809 8.099904 9.177306 8.956725 9.348077 7.683531 5.535732 6.685318 2.452521 4.946229 8.478568 0.000000 2.867290 7.298151 6.412564 6.449584 5.198271 8.287363 7.062027 8.017034 5.859924 6.583476 7.307691 8.639833 9.600108 4.615325 3.424376 5.675378 3.871003 2.154234 5.719258 3.398811 1.082465 2.149875 8.787480 8.274793 6.702393 6.272978 7.494349 8.272032 7.888477 9.505204 9.026365 10.431895 9.700870 9.869460 6.970244 4.652043 5.794830 4.950476 2.468545 5.849782 4.288244 0.000000 C17H20ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4311790 0.1509343 0.1214845 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 NBasis= 1046 RedAO= T EigKep= 1.16D-06 NBF= 1046 NBsUse= 1041 1.00D-06 EigRej= 7.31D-07 NBFU= 1041 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1156 1155 1155 1156 1156 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1359.82863842723 -1359.88802898572 -0.059390558493 -1359.88789408985 0.000134895870 -1359.88835575222 -0.000461662371 -1359.88838430375 -0.000028551531 -1359.88839129938 -0.000006995625 -1359.88839216954 -0.000000870161 -1359.88839222252 -0.000000052979 -1359.88839223223 -0.000000009712 -1359.88839223295 -0.000000000722 -1359.88839223264 0.000000000307 -1359.88839223296 -0.000000000313 -1359.88839223 12 1.354542774706e+03 -7.071064108721e+03 2.413709771916e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3772068531 LenY= 3770679669 Requested convergence on RMS density matrix=1.00D-08 within 128 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. PT41185S Sat Aug 14 11:01:29 2021 GINC-BELVIS19 PAULAPLA 14-Aug-2021 0 Single Point triticonazole_Z CONF2 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1359.8883922 RMSD=6.589e-09 Dipole=-1.1067352,0.6053669,-0.9059085 Quadrupole=-5.6184663,2.4441556,3.1743108,-0.1813436,6.1347763,-5.0187007 PG=C01 [X(C17H20Cl1N3O1)] 0 6.0036489364 0.1070310274 -0.2764774112 0 -2.7450714946 0.2751981904 1.6161568004 0 -2.1373739669 -1.8516095078 -0.3258670204 0 -2.2380329169 -2.4414235563 0.8959364803 0 -0.6392600692 -3.4565374427 -0.3351978362 0 -3.1571048629 1.8808510944 -0.1737228801 0 -2.4353192787 0.5613911848 0.2635135303 0 -2.3187660215 2.3148040755 -1.3957853291 0 -0.9542949592 0.8593767986 -0.0132645754 0 -0.8597667352 1.9909077126 -1.015575324 0 -2.8910168303 -0.6415520972 -0.6190632441 0 -3.0187304801 2.9163728158 0.960681133 0 -4.6433381382 1.707073638 -0.5030689727 0 0.0294033343 0.1496157848 0.5547201599 0 1.4798814412 0.2082733672 0.340521338 0 -1.1674251327 -2.4645540069 -1.0337060636 0 2.1673253537 1.3143996385 -0.188446927 0 2.2403191045 -0.9241578787 0.685279642 0 -1.3226470399 -3.398351742 0.8364562389 0 3.5459862766 1.2890976072 -0.3735098038 0 3.6161340384 -0.9676982375 0.4964033836 0 4.2612690256 0.144918634 -0.034963784 0 -2.4672582602 3.3703430912 -1.6341040414 0 -2.6196434538 1.7470955265 -2.2826695614 0 -0.3958298653 2.8650796376 -0.5478723498 0 -0.2369513962 1.7349089511 -1.8784638375 0 -2.7595997109 -0.4280547349 -1.6793377874 0 -3.9426591758 -0.8509317385 -0.4245644411 0 -1.9819691346 3.0412610119 1.2809087159 0 -3.3937141943 3.8855863146 0.6193129767 0 -3.5916859176 2.6051671326 1.8342570329 0 -5.0981931121 2.6815830154 -0.7014079358 0 -4.8085271584 1.0887538647 -1.3896809909 0 -5.1747443703 1.2563575563 0.3396318404 0 -2.6088988584 -0.6707607006 1.7854931035 0 -0.2754994795 -0.6221903318 1.2567932667 0 -0.8879109109 -2.1606712494 -2.0303490954 0 1.6346669352 2.2194849988 -0.4404835451 0 1.7378222369 -1.7955198921 1.0906182372 0 -1.1526442712 -4.0730603105 1.6614198567 0 4.063523329 2.1517798014 -0.7735501392 0 4.1830785562 -1.852193876 0.7571157469