Gaussian 16 GINC-BELVIS4 PAULAPLA Optimization propiconazole_RR CONF194 water EM64L-G16RevC.01 8-Sep-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 39 39 89 89 602 (5D, 7F) 6-311+G(d,p) 111 111 C1[X(C15H17Cl2N3O2)] C1[X(C15H17Cl2N3O2)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq 325.08539999999977 0 1 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-2622278/Gau-29669.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2622278/" chk=/home/paulapla/almacen/ADAMA/censo_results/propiconazole_RR/water/CONF194/o #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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=1,70=32201,71=1,72=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5,53=1/2 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=1,70=32205,71=1,72=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=1/2 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 propiconazole_RR CONF194 water 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 35 35 16 16 14 14 14 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 34.9688527 34.9688527 15.9949146 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 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 3 0 0 2 2 2 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 -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 1 2 3 3 4 4 5 5 5 6 7 7 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 14 14 15 16 16 17 17 17 18 18 19 19 20 22 15 21 8 9 8 10 6 12 20 22 20 22 12 13 10 11 23 24 25 14 26 27 28 29 15 16 17 30 31 18 19 32 33 34 35 21 36 21 37 38 39 1.7323 1.7269 1.3985 1.4315 1.3949 1.415 1.3361 1.4384 1.3341 1.3065 1.3103 1.3469 1.5323 1.5283 1.525 1.5185 1.0969 1.097 1.0879 1.5261 1.0927 1.095 1.0883 1.0879 1.3947 1.3918 1.5222 1.0938 1.0921 1.3869 1.3845 1.0801 1.0905 1.0917 1.0906 1.3835 1.081 1.383 1.0808 1.0779 1.0786 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 8 8 6 6 12 5 20 3 3 3 4 4 12 3 3 3 10 10 11 4 4 4 9 9 24 9 9 9 14 14 26 5 5 5 8 8 28 8 8 15 11 11 11 17 17 30 1 1 13 13 13 19 14 14 14 33 33 34 15 15 21 16 16 21 5 5 7 2 2 18 6 6 7 3 4 5 5 5 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 9 10 12 20 20 22 22 4 12 13 12 13 13 10 11 23 11 23 23 9 24 25 24 25 25 14 26 27 26 27 27 8 28 29 28 29 29 15 16 16 17 30 31 30 31 31 13 18 18 19 32 32 33 34 35 34 35 35 21 36 36 21 37 37 7 38 38 18 19 19 7 39 39 110.1859 106.4728 121.9018 109.6573 128.0828 102.3454 101.9496 106.2883 108.8632 110.4043 109.2807 111.6684 110.2247 102.1657 110.0459 108.1396 116.0877 110.3676 109.5872 103.1251 111.0811 108.1627 111.7391 113.8699 108.728 114.2679 107.9171 109.56 108.04 110.0835 106.6628 111.2307 109.0318 108.2419 110.6903 110.0714 107.4651 123.0688 119.7953 117.1217 115.4104 109.2296 107.5811 109.4996 108.7561 105.9299 122.0434 116.0992 121.8564 122.2563 119.4671 118.2766 112.4911 111.5712 110.6788 107.8183 106.6286 107.3854 119.0027 120.2749 120.7225 118.8047 120.1727 121.0225 110.5551 123.2472 126.1791 119.1469 119.8976 120.9551 115.4831 121.4364 123.0793 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 9 9 9 8 8 8 10 10 10 8 8 8 12 20 6 6 6 20 20 20 6 6 12 12 5 5 22 22 20 20 3 3 3 4 4 4 13 13 13 3 3 4 4 12 12 3 3 3 11 11 11 23 23 23 3 3 3 10 10 10 23 23 23 9 9 9 26 26 26 27 27 27 8 8 16 16 8 8 15 15 11 11 11 30 30 30 31 31 31 1 1 13 13 13 13 32 32 15 15 36 36 16 16 37 37 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 18 18 18 18 19 19 19 19 8 8 8 9 9 9 8 8 8 10 10 10 6 6 12 12 12 12 12 12 20 20 20 20 22 22 20 20 22 22 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 21 21 21 21 21 21 21 21 4 12 13 10 11 23 3 12 13 9 24 25 22 22 8 28 29 8 28 29 7 38 7 38 7 39 5 38 6 39 5 28 29 5 28 29 5 28 29 15 16 15 16 15 16 4 24 25 4 24 25 4 24 25 14 26 27 14 26 27 14 26 27 17 30 31 17 30 31 17 30 31 1 18 1 18 19 32 19 32 33 34 35 33 34 35 33 34 35 21 36 21 36 21 37 21 37 2 19 2 19 2 18 2 18 13.0189 130.6231 -108.2543 8.0768 131.9612 -108.3649 -30.5338 -147.8603 89.926 34.8531 -84.9803 155.7702 -174.5509 -0.9035 95.0804 -142.5778 -25.9642 -77.3126 45.0293 161.6428 1.0313 179.5479 174.1774 -7.306 0.5216 -179.0913 -0.6516 -179.1147 0.0666 179.6725 -54.5484 -175.9262 65.4174 61.1427 -60.235 -178.8914 -175.7809 62.8413 -55.8151 167.2202 -14.194 49.1993 -132.2149 -72.4707 106.1151 -25.7129 93.6664 -142.6618 -145.4472 -26.0679 97.6039 89.1065 -151.5141 -27.8423 165.52 45.3359 -70.4293 -79.112 160.7039 44.9387 46.7299 -73.4542 170.7806 64.833 -59.0222 -173.5696 -175.0516 61.0932 -53.4542 -58.937 177.2078 62.6603 -0.3862 179.2385 -179.0073 0.6175 -179.2548 0.7974 -0.5864 179.4658 -67.8561 53.464 172.9788 55.8573 177.1774 -63.3078 171.1813 -67.4986 52.0162 179.3875 -0.5875 -0.2583 179.7667 0.1941 -179.8007 -179.8575 0.1476 -179.9685 -0.1622 0.0065 179.8128 179.9989 0.194 -0.0063 -179.8112 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 624 A 602 A 962 624 2160.8854610101 39 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= 602 RedAO= T EigKep= 2.03D-06 NBF= 602 NBsUse= 599 1.00D-06 EigRej= 6.53D-07 NBFU= 599 Berny optimization. local minimum Step number 23 out of a maximum of 229 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00209 0.00310 0.00417 0.00454 0.00552 0.00758 0.00837 0.01134 0.01542 0.01729 0.02196 0.02259 0.02276 0.02286 0.02302 0.02304 0.02328 0.02664 0.02667 0.03440 0.03477 0.03540 0.04037 0.04291 0.04524 0.04706 0.04857 0.05086 0.05209 0.05502 0.05595 0.05650 0.05880 0.06240 0.06865 0.08296 0.08689 0.08771 0.09064 0.09551 0.10714 0.10997 0.11188 0.12510 0.12563 0.12970 0.15271 0.15914 0.15986 0.15992 0.16002 0.16004 0.16029 0.16076 0.16380 0.17180 0.20134 0.20790 0.22108 0.22394 0.22920 0.23835 0.24192 0.24414 0.24630 0.24897 0.24998 0.26604 0.27147 0.28296 0.29820 0.29913 0.30375 0.30484 0.31802 0.32673 0.33860 0.34012 0.34216 0.34359 0.34498 0.34541 0.34600 0.34694 0.34925 0.34938 0.35074 0.35408 0.35890 0.35896 0.35917 0.36192 0.36345 0.36414 0.37596 0.38259 0.40313 0.40926 0.41888 0.43844 0.45009 0.46046 0.48039 0.48707 0.49123 0.51137 0.53286 0.57655 0.58683 0.61309 0.64589 -3.31626043e-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 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 3.33989 3.32922 2.67815 2.75586 2.67345 2.71788 2.57537 2.74384 2.53937 2.49597 2.50695 2.57556 2.90596 2.91218 2.89372 2.87859 2.06793 2.06914 2.05483 2.90153 2.06824 2.07055 2.05502 2.05619 2.64863 2.64221 2.89516 2.07195 2.06882 2.63199 2.62739 2.04219 2.06524 2.06878 2.06731 2.62395 2.04352 2.62330 2.04473 2.03697 2.03864 1.91529 1.84451 2.13812 1.91098 2.23007 1.79039 1.79063 1.84515 1.89548 1.92982 1.91787 1.94947 1.92393 1.78630 1.90759 1.86472 2.04025 1.92612 1.92649 1.80227 1.92161 1.87805 1.94825 1.98621 1.92221 2.00224 1.86448 1.89994 1.89730 1.92551 1.86896 1.95997 1.88837 1.89397 1.92526 1.89573 1.89953 2.16131 2.07907 2.04275 2.00850 1.90443 1.87832 1.91421 1.89755 1.85437 2.13666 2.01703 2.12950 2.13560 2.06813 2.07943 1.95838 1.93671 1.93095 1.88205 1.87162 1.88095 2.07049 2.10201 2.11068 2.06810 2.10492 2.11016 1.92750 2.14244 2.21318 2.07515 2.08820 2.11983 2.00520 2.12467 2.15329 0.29895 2.35630 -1.81383 0.09007 2.26411 -1.93449 -0.59123 -2.63352 1.50875 0.63749 -1.44478 2.74321 -3.06256 -0.01042 1.60687 -2.54730 -0.48894 -1.42798 0.70104 2.75940 0.01203 -3.14154 3.05816 -0.09541 0.00576 -3.12927 -0.00786 -3.13687 0.00110 3.13601 -1.05889 3.11641 1.03590 0.95169 -1.15620 3.04648 3.10762 0.99973 -1.08078 2.94022 -0.21229 0.89057 -2.26194 -1.24688 1.88380 -0.43618 1.62761 -2.46655 -2.51948 -0.45570 1.73332 1.54347 -2.67592 -0.48691 2.93386 0.83007 -1.18258 -1.33219 2.84721 0.83456 0.88786 -1.21593 3.05461 1.22767 -0.93226 -2.93734 -2.96993 1.15333 -0.85175 -0.92546 -3.08539 1.19272 0.00433 -3.13779 -3.12656 0.01451 3.14050 0.00676 -0.01127 3.13817 -1.16468 0.94208 3.02904 0.99007 3.09683 -1.09940 3.01081 -1.16561 0.92135 3.13398 -0.00841 -0.00712 3.13368 0.00073 -3.13781 3.13442 -0.00412 3.13891 -0.00417 -0.00189 3.13822 -3.13581 0.00728 0.00273 -3.13737 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 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 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 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 0.00009 0.00001 0.00002 -0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00000 -0.00001 0.00006 -0.00003 -0.00034 -0.00012 0.00006 0.00003 -0.00004 -0.00003 -0.00000 0.00001 0.00001 0.00001 0.00001 -0.00000 -0.00005 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00009 0.00006 -0.00002 -0.00002 -0.00000 -0.00000 -0.00002 0.00015 0.00014 -0.00019 -0.00017 -0.00007 0.00015 -0.00022 -0.00016 0.00019 0.00016 -0.00008 0.00009 -0.00027 0.00009 -0.00006 -0.00009 0.00030 0.00000 -0.00018 0.00012 0.00000 0.00002 0.00001 0.00004 -0.00020 0.00007 0.00000 -0.00005 0.00017 0.00002 0.00003 -0.00001 -0.00002 -0.00007 -0.00003 0.00003 -0.00002 0.00008 0.00002 0.00003 -0.00002 -0.00002 0.00002 0.00006 -0.00008 -0.00006 0.00006 0.00000 0.00006 -0.00008 0.00002 0.00004 -0.00001 -0.00003 0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00001 0.00001 0.00003 -0.00003 0.00002 -0.00001 -0.00000 -0.00326 -0.00331 -0.00315 0.00364 0.00362 0.00376 0.00140 0.00124 0.00122 0.00090 0.00111 0.00109 0.00038 -0.00008 0.00046 0.00031 0.00038 0.00101 0.00086 0.00093 0.00006 0.00010 -0.00043 -0.00039 0.00008 0.00006 -0.00001 -0.00005 -0.00005 -0.00002 0.00129 0.00137 0.00127 0.00145 0.00154 0.00144 0.00134 0.00143 0.00133 -0.00011 0.00023 -0.00012 0.00021 0.00004 0.00038 -0.00268 -0.00278 -0.00260 -0.00242 -0.00251 -0.00234 -0.00261 -0.00270 -0.00253 -0.00088 -0.00088 -0.00099 -0.00118 -0.00118 -0.00129 -0.00107 -0.00107 -0.00118 -0.00132 -0.00122 -0.00124 -0.00127 -0.00117 -0.00119 -0.00120 -0.00110 -0.00112 0.00053 0.00051 0.00020 0.00018 -0.00037 -0.00027 -0.00006 0.00004 -0.00041 -0.00034 -0.00027 -0.00052 -0.00045 -0.00038 -0.00047 -0.00040 -0.00033 -0.00017 -0.00023 -0.00015 -0.00021 -0.00010 0.00004 -0.00019 -0.00006 -0.00006 -0.00001 -0.00001 0.00005 0.00018 0.00013 0.00005 -0.00000 0.00000 0.00001 -0.00009 -0.00004 -0.00002 0.00001 -0.00003 0.00000 -0.00002 0.00001 -0.00001 -0.00000 -0.00006 0.00004 0.00034 0.00012 -0.00005 -0.00003 0.00005 0.00002 0.00001 -0.00001 -0.00002 -0.00001 0.00001 0.00001 0.00004 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00002 0.00000 -0.00001 -0.00000 0.00001 0.00000 -0.00008 -0.00004 0.00004 0.00003 -0.00001 -0.00001 0.00001 -0.00014 -0.00015 0.00019 0.00015 0.00011 -0.00015 0.00023 0.00017 -0.00018 -0.00018 0.00008 -0.00011 0.00026 -0.00010 0.00008 0.00010 -0.00031 -0.00001 0.00016 -0.00011 -0.00001 -0.00001 -0.00001 -0.00004 0.00017 -0.00009 0.00004 0.00005 -0.00015 -0.00003 -0.00001 0.00000 0.00001 0.00006 0.00003 -0.00002 0.00001 -0.00007 -0.00002 -0.00002 0.00001 0.00001 -0.00001 -0.00005 0.00007 0.00006 -0.00005 -0.00000 -0.00006 0.00008 -0.00002 -0.00003 0.00001 0.00002 -0.00000 0.00001 -0.00000 -0.00002 0.00003 -0.00001 -0.00000 -0.00002 0.00002 -0.00001 0.00001 0.00000 0.00318 0.00321 0.00303 -0.00360 -0.00358 -0.00372 -0.00133 -0.00115 -0.00113 -0.00096 -0.00117 -0.00114 -0.00039 0.00014 -0.00038 -0.00026 -0.00033 -0.00101 -0.00089 -0.00096 -0.00011 -0.00011 0.00046 0.00046 -0.00013 -0.00006 0.00003 0.00003 0.00007 -0.00000 -0.00142 -0.00146 -0.00136 -0.00159 -0.00164 -0.00154 -0.00146 -0.00150 -0.00140 0.00018 -0.00016 0.00017 -0.00017 0.00001 -0.00033 0.00269 0.00277 0.00259 0.00240 0.00249 0.00230 0.00263 0.00272 0.00253 0.00097 0.00095 0.00106 0.00128 0.00127 0.00137 0.00115 0.00113 0.00124 0.00123 0.00115 0.00117 0.00119 0.00111 0.00113 0.00113 0.00105 0.00107 -0.00054 -0.00051 -0.00020 -0.00017 0.00036 0.00027 0.00004 -0.00005 0.00047 0.00039 0.00033 0.00056 0.00049 0.00042 0.00050 0.00043 0.00037 0.00017 0.00023 0.00015 0.00020 0.00011 -0.00000 0.00020 0.00009 0.00005 0.00001 -0.00000 -0.00004 -0.00018 -0.00014 -0.00007 -0.00003 -0.00001 -0.00001 0.00000 -0.00003 0.00000 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00002 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00002 0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00001 -0.00002 0.00003 -0.00001 0.00001 0.00002 0.00001 -0.00002 0.00000 -0.00002 -0.00000 -0.00001 0.00002 0.00001 -0.00001 -0.00001 -0.00002 0.00001 -0.00001 0.00002 0.00000 0.00000 -0.00003 -0.00002 0.00004 -0.00000 0.00002 -0.00001 0.00002 -0.00001 -0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00002 -0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00000 -0.00008 -0.00010 -0.00012 0.00005 0.00004 0.00003 0.00008 0.00009 0.00009 -0.00005 -0.00006 -0.00005 -0.00001 0.00006 0.00008 0.00005 0.00005 -0.00000 -0.00003 -0.00004 -0.00005 -0.00001 0.00003 0.00007 -0.00005 -0.00001 0.00001 -0.00002 0.00003 -0.00002 -0.00013 -0.00009 -0.00009 -0.00014 -0.00010 -0.00010 -0.00012 -0.00008 -0.00007 0.00007 0.00007 0.00005 0.00005 0.00006 0.00005 0.00000 -0.00000 -0.00002 -0.00001 -0.00002 -0.00003 0.00002 0.00002 0.00000 0.00009 0.00008 0.00007 0.00010 0.00009 0.00008 0.00008 0.00006 0.00006 -0.00009 -0.00007 -0.00007 -0.00008 -0.00006 -0.00006 -0.00006 -0.00005 -0.00005 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00005 0.00005 0.00005 0.00004 0.00004 0.00004 0.00004 0.00004 0.00004 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00003 0.00001 0.00003 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00002 -0.00003 3.33989 3.32921 2.67815 2.75583 2.67345 2.71787 2.57535 2.74384 2.53936 2.49596 2.50694 2.57555 2.90596 2.91219 2.89372 2.87858 2.06794 2.06914 2.05484 2.90151 2.06825 2.07055 2.05502 2.05620 2.64865 2.64221 2.89516 2.07196 2.06882 2.63200 2.62739 2.04219 2.06525 2.06878 2.06732 2.62396 2.04352 2.62330 2.04473 2.03698 2.03864 1.91530 1.84453 2.13813 1.91099 2.23005 1.79038 1.79063 1.84516 1.89547 1.92982 1.91785 1.94951 1.92392 1.78631 1.90760 1.86473 2.04023 1.92612 1.92647 1.80227 1.92161 1.87807 1.94826 1.98620 1.92220 2.00222 1.86449 1.89993 1.89731 1.92551 1.86896 1.95994 1.88836 1.89401 1.92526 1.89575 1.89951 2.16133 2.07906 2.04275 2.00849 1.90443 1.87833 1.91420 1.89756 1.85436 2.13667 2.01702 2.12949 2.13561 2.06813 2.07941 1.95838 1.93672 1.93095 1.88205 1.87163 1.88095 2.07050 2.10201 2.11067 2.06810 2.10491 2.11016 1.92750 2.14244 2.21318 2.07516 2.08821 2.11982 2.00521 2.12467 2.15329 0.29887 2.35620 -1.81395 0.09011 2.26415 -1.93446 -0.59115 -2.63343 1.50884 0.63743 -1.44484 2.74316 -3.06257 -0.01037 1.60695 -2.54725 -0.48889 -1.42798 0.70101 2.75936 0.01198 -3.14155 3.05819 -0.09534 0.00571 -3.12927 -0.00785 -3.13689 0.00113 3.13599 -1.05902 3.11631 1.03581 0.95155 -1.15630 3.04638 3.10750 0.99965 -1.08085 2.94029 -0.21222 0.89062 -2.26190 -1.24682 1.88385 -0.43617 1.62761 -2.46657 -2.51950 -0.45572 1.73329 1.54350 -2.67591 -0.48690 2.93395 0.83015 -1.18251 -1.33208 2.84730 0.83464 0.88794 -1.21587 3.05466 1.22758 -0.93233 -2.93742 -2.97000 1.15327 -0.85182 -0.92552 -3.08543 1.19267 0.00432 -3.13779 -3.12656 0.01452 3.14049 0.00676 -0.01128 3.13817 -1.16463 0.94213 3.02909 0.99011 3.09687 -1.09936 3.01085 -1.16558 0.92139 3.13398 -0.00840 -0.00713 3.13367 0.00074 -3.13778 3.13443 -0.00409 3.13890 -0.00417 -0.00190 3.13822 -3.13580 0.00728 0.00271 -3.13740 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000009 0.000002 0.000545 0.000145 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.148179e-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 1 2 3 3 4 4 5 5 5 6 7 7 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 14 14 15 16 16 17 17 17 18 18 19 19 20 22 15 21 8 9 8 10 6 12 20 22 20 22 12 13 10 11 23 24 25 14 26 27 28 29 15 16 17 30 31 18 19 32 33 34 35 21 36 21 37 38 39 1.7674 1.7617 1.4172 1.4583 1.4147 1.4382 1.3628 1.452 1.3438 1.3208 1.3266 1.3629 1.5378 1.5411 1.5313 1.5233 1.0943 1.0949 1.0874 1.5354 1.0945 1.0957 1.0875 1.0881 1.4016 1.3982 1.5321 1.0964 1.0948 1.3928 1.3904 1.0807 1.0929 1.0948 1.094 1.3885 1.0814 1.3882 1.082 1.0779 1.0788 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 8 8 6 6 12 5 20 3 3 3 4 4 12 3 3 3 10 10 11 4 4 4 9 9 24 9 9 9 14 14 26 5 5 5 8 8 28 8 8 15 11 11 11 17 17 30 1 1 13 13 13 19 14 14 14 33 33 34 15 15 21 16 16 21 5 5 7 2 2 18 6 6 7 3 4 5 5 5 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 9 10 12 20 20 22 22 4 12 13 12 13 13 10 11 23 11 23 23 9 24 25 24 25 25 14 26 27 26 27 27 8 28 29 28 29 29 15 16 16 17 30 31 30 31 31 13 18 18 19 32 32 33 34 35 34 35 35 21 36 36 21 37 37 7 38 38 18 19 19 7 39 39 109.738 105.6824 122.505 109.4909 127.7734 102.5818 102.5956 105.7195 108.6027 110.5706 109.8858 111.6967 110.2331 102.3477 109.2968 106.8404 116.8974 110.3586 110.3796 103.2623 110.1004 107.6043 111.6263 113.8014 110.1348 114.7199 106.827 108.8584 108.7072 110.3234 107.0836 112.2978 108.1958 108.5163 110.309 108.6174 108.8348 123.8341 119.1219 117.0411 115.0787 109.1157 107.6196 109.6761 108.7216 106.2473 122.4214 115.5671 122.0114 122.361 118.4952 119.1423 112.2069 110.9655 110.6353 107.8338 107.2362 107.7706 118.6303 120.4366 120.9331 118.4933 120.603 120.9034 110.4378 122.7525 126.8057 118.8974 119.6452 121.4574 114.8897 121.7348 123.3744 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 9 9 9 8 8 8 10 10 10 8 8 8 12 20 6 6 6 20 20 20 6 6 12 12 5 5 22 22 20 20 3 3 3 4 4 4 13 13 13 3 3 4 4 12 12 3 3 3 11 11 11 23 23 23 3 3 3 10 10 10 23 23 23 9 9 9 26 26 26 27 27 27 8 8 16 16 8 8 15 15 11 11 11 30 30 30 31 31 31 1 1 13 13 13 13 32 32 15 15 36 36 16 16 37 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 18 18 18 18 19 19 19 8 8 8 9 9 9 8 8 8 10 10 10 6 6 12 12 12 12 12 12 20 20 20 20 22 22 20 20 22 22 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 21 21 21 21 21 21 21 4 12 13 10 11 23 3 12 13 9 24 25 22 22 8 28 29 8 28 29 7 38 7 38 7 39 5 38 6 39 5 28 29 5 28 29 5 28 29 15 16 15 16 15 16 4 24 25 4 24 25 4 24 25 14 26 27 14 26 27 14 26 27 17 30 31 17 30 31 17 30 31 1 18 1 18 19 32 19 32 33 34 35 33 34 35 33 34 35 21 36 21 36 21 37 21 37 2 19 2 19 2 18 2 17.1287 135.0058 -103.9248 5.1604 129.7239 -110.8382 -33.8751 -150.8897 86.4449 36.5252 -82.7801 157.1746 -175.4718 -0.5973 92.0668 -145.9496 -28.0144 -81.817 40.1666 158.1018 0.6893 -179.997 175.2198 -5.4666 0.3303 -179.2937 -0.4504 -179.7294 0.063 179.6801 -60.6698 178.5569 59.3528 54.5277 -66.2456 174.5503 178.0534 57.2801 -61.924 168.4621 -12.1633 51.0257 -129.5997 -71.4411 107.9336 -24.9911 93.2553 -141.3232 -144.3558 -26.1095 99.3121 88.4345 -153.3192 -27.8976 168.0979 47.5596 -67.7568 -76.3286 163.1331 47.8167 50.8708 -69.6675 175.0161 70.3403 -53.4146 -168.2973 -170.1644 66.0807 -48.802 -53.0248 -176.7797 68.3376 0.2479 -179.7822 -179.1388 0.8311 179.9375 0.3874 -0.6457 179.8042 -66.7312 53.9773 173.5512 56.7268 177.4353 -62.9908 172.5069 -66.7846 52.7893 179.5637 -0.4816 -0.4081 179.5466 0.0419 -179.7833 179.5892 -0.2359 179.8462 -0.239 -0.1082 179.8066 -179.6684 0.4174 0.1562 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0471170814 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.323915 0.000000 4.518903 6.644617 0.000000 2.972328 6.714503 2.235175 0.000000 4.495951 8.141184 2.787017 2.854189 0.000000 5.740415 8.854089 3.095109 3.894969 1.336118 0.000000 6.079719 10.204212 4.318165 4.101232 2.173481 2.243898 0.000000 3.153291 6.048533 1.398524 1.394930 2.452182 3.301545 4.268264 0.000000 5.073151 7.387782 1.431459 2.303875 3.569090 3.882146 4.501943 2.320894 0.000000 4.084404 7.065197 2.301002 1.415042 3.817242 4.568543 4.726075 2.251134 1.524953 0.000000 6.121667 7.406004 2.417665 3.629772 4.961760 5.076698 5.888110 3.491264 1.518508 2.582237 0.000000 3.405603 6.729769 2.385278 2.388595 1.438379 2.425984 3.569330 1.532314 3.485176 3.543584 4.759166 0.000000 2.740361 4.520737 2.404586 2.419909 3.788626 4.598913 5.745014 1.528327 3.308287 3.070116 4.018660 2.510568 0.000000 7.244799 8.673375 3.783801 4.607885 6.014314 6.073165 6.496339 4.795070 2.557268 3.320104 1.526066 6.031220 5.418214 0.000000 1.732266 3.974578 3.712623 2.988496 4.561124 5.573542 6.465259 2.570428 4.457567 3.815018 5.204487 3.219969 1.394696 6.500002 0.000000 4.002473 3.977259 2.727216 3.566965 4.677025 5.187401 6.660311 2.527179 3.660515 3.830691 3.876471 3.471385 1.391752 5.349156 2.377383 0.000000 7.115193 8.892339 4.536312 4.635464 6.550567 6.858223 6.897761 5.208397 3.169688 3.224231 2.576766 6.530705 5.772359 1.522241 6.607130 5.926153 0.000000 2.652912 2.687635 4.824209 4.317735 5.867715 6.807673 7.829906 3.848411 5.565090 4.966201 6.057350 4.474674 2.431126 7.352280 1.386872 2.761850 7.443164 0.000000 4.497682 2.697337 4.104461 4.741566 5.958509 6.490216 7.992465 3.819443 4.941313 4.978475 4.947944 4.660776 2.431186 6.344117 2.767421 1.384517 6.838121 2.407299 0.000000 4.773367 9.043142 3.625847 3.029911 1.334054 2.182687 1.310287 3.227130 3.972746 3.930319 5.461101 2.493142 4.635899 6.260987 5.228441 5.684591 6.566761 6.596292 6.966880 0.000000 3.949605 1.726871 4.965097 5.028851 6.451233 7.189263 8.493439 4.321680 5.750895 5.443544 5.934094 5.057032 2.793891 7.269934 2.387062 2.382174 7.534000 1.383494 1.382998 7.344179 0.000000 6.500512 10.027653 3.974947 4.453217 2.058751 1.306453 1.346886 4.217464 4.387659 5.002863 5.616955 3.444720 5.645572 6.344664 6.561983 6.327702 7.031717 7.864021 7.665846 2.064404 8.335462 0.000000 5.736966 8.432313 2.056681 2.806512 3.405261 3.508945 3.828260 2.959594 1.096894 2.166335 2.150774 3.762302 4.201068 2.711079 5.329503 4.629142 3.369185 6.520651 5.953933 3.593676 6.770843 3.720934 0.000000 4.045891 6.404232 2.857394 2.079045 4.721900 5.498248 5.799054 2.731342 2.183593 1.096996 2.675169 4.187372 2.991592 3.394806 3.570697 3.582003 3.105527 4.502392 4.512149 4.933238 4.893864 6.041025 3.047585 0.000000 4.632610 8.016914 3.209391 2.036094 4.238280 4.990939 4.658481 3.162459 2.202671 1.087926 3.184533 4.241648 4.085685 3.466376 4.680444 4.913976 3.022709 5.846273 6.037005 4.006152 6.425510 5.157470 2.397124 1.775769 0.000000 6.698331 7.590230 2.534600 4.284721 5.060735 4.918269 6.049097 3.828068 2.126181 3.467192 1.092658 4.899399 4.331764 2.134372 5.639752 3.946069 3.486378 6.440151 5.003698 5.733841 6.156727 5.534936 2.544775 3.643606 4.128474 0.000000 5.814344 6.526444 2.754595 3.741384 5.461049 5.732330 6.636310 3.557259 2.149038 2.733392 1.095032 4.976690 3.658333 2.162323 4.728384 3.343430 2.831684 5.389563 4.211314 6.034446 5.156233 6.410243 3.051728 2.390502 3.481064 1.754753 0.000000 2.724822 6.649515 3.329900 2.662984 2.067454 3.231975 3.954142 2.170460 4.304880 4.019423 5.613852 1.088336 2.781948 6.851986 2.992774 3.939463 7.177755 4.221770 4.946338 2.734625 5.047010 4.091282 4.615806 4.572234 4.625172 5.863196 5.726407 0.000000 4.021739 6.512542 2.688839 3.326796 2.057233 2.534194 4.205433 2.162360 4.020245 4.342257 5.088592 1.087927 2.716348 6.466766 3.509708 3.311468 7.148704 4.557924 4.404900 3.316474 4.918880 3.762245 4.337700 4.887727 5.145429 5.014660 5.264590 1.754644 0.000000 7.743922 9.534212 4.011145 4.914355 5.882066 5.772778 6.047542 5.112050 2.795239 3.734198 2.150500 6.152887 5.973716 1.093753 7.115243 5.991008 2.150590 8.081143 7.097850 6.030365 8.059268 5.857765 2.503787 4.084798 3.722258 2.461261 3.060067 7.024862 6.594884 0.000000 8.048794 8.870972 4.521998 5.551739 6.919398 6.888392 7.480249 5.601207 3.466257 4.280551 2.127974 6.861354 6.045129 1.092064 7.143899 5.746088 2.139829 7.855916 6.593440 7.264361 7.597887 7.219517 3.690452 4.190321 4.503253 2.385387 2.477835 7.714304 7.184731 1.744866 0.000000 4.877393 4.818645 2.343086 3.834741 4.613086 4.859977 6.490951 2.710186 3.286854 3.881152 3.285296 3.633366 2.140722 4.788886 3.362735 1.080144 5.611371 3.841850 2.121438 5.683789 3.353491 5.989622 4.182376 3.766662 4.955926 3.107607 2.897853 4.346958 3.371038 5.356243 5.102390 0.000000 6.615863 9.059189 4.376372 4.064273 6.000650 6.417894 6.167056 4.867453 2.970973 2.715507 2.932294 6.090955 5.608939 2.185524 6.358542 6.014480 1.090521 7.324731 7.024207 5.834660 7.610092 6.476148 3.014250 2.826297 2.198410 3.909876 3.305322 6.654309 6.834797 2.494564 3.064361 5.802892 0.000000 6.788144 8.173758 4.710351 4.658174 6.898749 7.335586 7.498098 5.217104 3.487908 3.273762 2.812990 6.656323 5.501333 2.175081 6.198881 5.592973 1.091695 6.880523 6.333541 6.996208 6.929643 7.651135 3.975216 2.786977 3.236256 3.783689 2.629318 7.220656 7.255782 3.069655 2.543808 5.410382 1.763413 0.000000 8.147259 9.858668 5.563669 5.666703 7.494193 7.733189 7.641626 6.278684 4.179395 4.264419 3.506791 7.565961 6.861720 2.163095 7.680583 6.980720 1.090558 8.489849 7.854166 7.428136 8.556537 7.795191 4.225266 4.156174 3.923071 4.282727 3.789550 8.218872 8.188124 2.514545 2.431550 6.626962 1.749061 1.758574 0.000000 2.764830 2.836522 5.796359 5.007460 6.590964 7.618852 8.486102 4.714901 6.478588 5.717894 7.022161 5.220543 3.406536 8.255381 2.145572 3.842797 8.214175 1.080959 3.388435 7.209479 2.147224 8.628899 7.408574 5.226558 6.497507 7.467091 6.339697 4.778308 5.360146 8.996875 8.780431 4.922807 8.038305 7.600735 9.238462 0.000000 5.578398 2.858358 4.702948 5.645788 6.730601 7.104322 8.747584 4.669394 5.500861 5.733512 5.247137 5.499504 3.404318 6.596792 3.848171 2.142241 7.213956 3.390347 1.080797 7.801655 2.149770 8.300976 6.499564 5.238773 6.797582 5.142734 4.474584 5.884512 5.124086 7.369525 6.676164 2.439490 7.542240 6.698235 8.173034 4.286831 0.000000 4.224112 8.939364 4.077444 2.836218 2.125599 3.209700 2.132143 3.388498 4.293480 3.849382 5.811456 2.824570 4.663145 6.560839 4.997964 5.874014 6.630286 6.362766 7.079302 1.077859 7.272906 3.120641 4.046387 4.772822 3.794489 6.251731 6.268823 2.711913 3.801277 6.432293 7.603911 6.045596 5.803092 6.965559 7.492354 6.848856 7.999975 0.000000 7.565922 10.894960 4.720856 5.436067 3.097615 2.083293 2.136195 5.157709 5.057084 5.842860 6.125347 4.430959 6.564839 6.729262 7.554118 7.120719 7.525220 8.830923 8.457017 3.106041 9.218001 1.078609 4.277014 6.881567 5.957517 5.913415 7.005233 5.121896 4.609591 6.105477 7.531877 6.663997 7.027808 8.236854 8.199609 9.630135 9.008298 4.132886 0.000000 C15H17Cl2N3O2 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 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3246584 0.1587406 0.1279881 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.381439 0.000000 4.602149 6.696929 0.000000 3.070744 6.775924 2.257512 0.000000 4.469124 8.235149 2.880388 2.846876 0.000000 5.764761 9.041597 3.158830 3.851299 1.362825 0.000000 5.984133 10.297712 4.523891 4.114603 2.193318 2.262168 0.000000 3.214212 6.103097 1.417214 1.414728 2.483411 3.335246 4.348231 0.000000 5.164439 7.362191 1.458337 2.328917 3.720045 3.969515 4.814363 2.351856 0.000000 4.173964 7.038047 2.329522 1.438238 3.895586 4.586028 4.899801 2.273756 1.531289 0.000000 6.184304 7.286110 2.432150 3.660652 5.112690 5.194483 6.252117 3.500431 1.523284 2.603025 0.000000 3.440245 6.804235 2.400766 2.417890 1.451979 2.468246 3.602321 1.537770 3.549521 3.594482 4.790839 0.000000 2.782874 4.562973 2.432718 2.447104 3.827710 4.687295 5.811319 1.541060 3.305662 3.058416 3.973199 2.525618 0.000000 7.301007 8.465941 3.821619 4.642656 6.225747 6.242929 6.973575 4.820073 2.575670 3.328465 1.535421 6.105718 5.359848 0.000000 1.767394 4.012062 3.753955 3.041255 4.572284 5.644965 6.462343 2.597039 4.474477 3.826344 5.174731 3.241794 1.401596 6.446321 0.000000 4.049861 4.015303 2.734852 3.577595 4.757316 5.331036 6.793132 2.535170 3.606504 3.776548 3.752417 3.498581 1.398198 5.200086 2.387743 0.000000 7.160629 8.527287 4.603387 4.719346 6.818212 7.081477 7.454788 5.252354 3.242037 3.281676 2.588215 6.646607 5.671045 1.532055 6.499703 5.699477 0.000000 2.681092 2.719565 4.864261 4.366862 5.897710 6.912881 7.839414 3.878742 5.560032 4.955336 5.989477 4.510311 2.444165 7.237322 1.392791 2.776363 7.232839 0.000000 4.545525 2.729505 4.117024 4.761597 6.042375 6.652966 8.116195 3.836616 4.878931 4.917567 4.796602 4.699192 2.443173 6.138126 2.780614 1.390355 6.514782 2.422177 0.000000 4.665358 9.087678 3.816219 3.074789 1.343776 2.210226 1.326621 3.300555 4.272424 4.124183 5.771955 2.510831 4.671739 6.665901 5.197965 5.771602 7.048917 6.571939 7.039108 0.000000 3.983797 1.761747 4.986775 5.058203 6.507255 7.328348 8.555970 4.341420 5.706025 5.395416 5.808842 5.093072 2.801262 7.082323 2.391904 2.387820 7.221572 1.388533 1.388193 7.361952 0.000000 6.479715 10.203513 4.124594 4.428793 2.094290 1.320811 1.362928 4.284681 4.590218 5.085989 5.877791 3.495306 5.743446 6.686201 6.616547 6.494656 7.433632 7.946948 7.842043 2.099063 8.467201 0.000000 5.840383 8.418914 2.061288 2.821351 3.590806 3.592656 4.228001 2.991800 1.094302 2.169855 2.163069 3.847887 4.207636 2.770588 5.358394 4.586894 3.535510 6.529188 5.903073 3.975697 6.738733 3.955999 0.000000 4.082270 6.309254 2.877121 2.085624 4.762459 5.511519 5.938546 2.717908 2.186235 1.094941 2.698775 4.189582 2.925554 3.387958 3.519944 3.475272 3.085080 4.424531 4.390827 5.068052 4.778877 6.117327 3.052289 0.000000 4.732624 7.982411 3.231045 2.048628 4.317024 4.980797 4.836532 3.186245 2.207071 1.087370 3.216250 4.305754 4.077276 3.495066 4.697161 4.859693 3.159639 5.837547 5.972031 4.223934 6.374857 5.210851 2.400947 1.789122 0.000000 6.769082 7.539301 2.537269 4.305839 5.201740 5.037044 6.404564 3.838163 2.117427 3.480805 1.094468 4.918474 4.319907 2.152519 5.640663 3.879884 3.502178 6.418956 4.919938 6.025585 6.094089 5.801605 2.517268 3.674395 4.139663 0.000000 5.832625 6.333353 2.730521 3.761195 5.540634 5.798409 6.915870 3.517473 2.144737 2.764824 1.095687 4.939149 3.547349 2.174090 4.639602 3.130356 2.801279 5.256782 3.969635 6.258597 4.954195 6.606310 3.057369 2.436916 3.538385 1.761521 0.000000 2.727601 6.655085 3.344730 2.731263 2.068080 3.275041 3.955137 2.169831 4.382461 4.097305 5.642000 1.087469 2.744132 6.929854 2.959624 3.907601 7.301816 4.195947 4.918671 2.711996 5.016174 4.128294 4.734213 4.578551 4.738420 5.873751 5.673426 0.000000 4.113762 6.649541 2.630215 3.341261 2.072594 2.586886 4.238801 2.148726 4.007309 4.346740 5.031841 1.088090 2.756417 6.450486 3.584337 3.355560 7.170364 4.657483 4.478979 3.330797 5.011422 3.819342 4.334650 4.855513 5.160529 4.941279 5.142011 1.769333 0.000000 7.768794 9.375161 4.045261 4.885164 6.100931 5.955204 6.543132 5.123985 2.772640 3.659711 2.159232 6.235752 5.923918 1.096431 7.059563 5.885783 2.163454 7.979559 6.947955 6.440420 7.910239 6.218903 2.517163 4.004262 3.629770 2.513828 3.070868 7.112970 6.603734 0.000000 8.127824 8.675117 4.542961 5.603713 7.101522 7.025116 7.930697 5.624538 3.478493 4.320365 2.138613 6.910518 6.000586 1.094771 7.111758 5.604127 2.149978 7.765031 6.393268 7.641576 7.427058 7.531458 3.712359 4.244386 4.563424 2.378497 2.530522 7.766184 7.132166 1.752814 0.000000 4.916140 4.865670 2.314690 3.812598 4.701199 5.008304 6.662875 2.693118 3.194685 3.797809 3.123613 3.644011 2.136489 4.618429 3.367390 1.080681 5.376854 3.857039 2.136438 5.802380 3.366467 6.182502 4.099922 3.649496 4.869504 3.006189 2.647946 4.307574 3.375465 5.243940 4.930202 0.000000 6.608467 8.661315 4.444803 4.110575 6.291764 6.668479 6.755701 4.896034 3.038112 2.710001 2.929982 6.223017 5.472514 2.192538 6.201896 5.768902 1.092879 7.063118 6.682597 6.346180 7.260996 6.904888 3.223478 2.683960 2.292310 3.931855 3.231870 6.797320 6.884777 2.509847 3.074573 5.564758 0.000000 6.869772 7.734132 4.774283 4.808901 7.151804 7.540965 8.026910 5.272153 3.584986 3.424651 2.816961 6.761572 5.389360 2.178510 6.091373 5.316323 1.094751 6.646956 5.937220 7.460885 6.560031 8.027724 4.150847 2.874321 3.501386 3.766753 2.585474 7.334213 7.253822 3.078500 2.541805 5.119325 1.767963 0.000000 8.189356 9.471067 5.629770 5.740433 7.771170 7.963966 8.229087 6.322830 4.240086 4.305729 3.522539 7.687530 6.764100 2.173776 7.572277 6.759861 1.093975 8.273448 7.528291 7.929835 8.236074 8.215927 4.375338 4.134311 4.030202 4.304420 3.780852 8.352036 8.215312 2.526518 2.446951 6.401414 1.760595 1.768137 0.000000 2.783243 2.862560 5.840721 5.064648 6.606525 7.711135 8.457546 4.748582 6.483413 5.718939 6.965532 5.257487 3.420444 8.148632 2.152961 3.857742 8.011659 1.081386 3.403269 7.152419 2.154325 8.685673 7.428163 5.162042 6.502656 7.453069 6.224500 4.759893 5.468497 8.895230 8.701040 4.938419 7.777967 7.385060 9.025514 0.000000 5.627326 2.879119 4.712762 5.661802 6.835190 7.294597 8.909536 4.688211 5.424538 5.661786 5.068751 5.543874 3.419933 6.349666 3.862630 2.153045 6.832314 3.403719 1.082024 7.902728 2.154240 8.515340 6.432228 5.111771 6.716922 5.038738 4.204185 5.861220 5.197478 7.197721 6.422531 2.467505 7.157424 6.220961 7.783160 4.299308 0.000000 4.055418 8.906420 4.276367 2.942364 2.129538 3.236353 2.152965 3.464951 4.631275 4.113571 6.148833 2.828316 4.663454 7.005528 4.915857 5.915991 7.170513 6.272316 7.093056 1.077919 7.223789 3.156137 4.477971 4.952579 4.125339 6.556673 6.515212 2.663172 3.797060 6.872886 8.024722 6.124404 6.375722 7.496558 8.056952 6.719415 8.039328 0.000000 7.550696 11.107092 4.860034 5.392728 3.134694 2.099360 2.153849 5.221465 5.234264 5.897437 6.385759 4.484858 6.675444 7.073062 7.622385 7.311825 7.924870 8.935109 8.665458 3.140648 9.379364 1.078802 4.467285 6.944130 5.967316 6.191472 7.209965 5.165188 4.676074 6.476369 7.849738 6.885285 7.451919 8.607444 8.622836 9.706836 9.263339 4.169182 0.000000 C15H17Cl2N3O2 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 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3091400 0.1605585 0.1252006 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= 616 616 616 616 616 MxSgAt= 39 MxSgA2= 39. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2137.4376347358 39 39 39 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 -0.0465190646 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2139.9812716914 39 39 39 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 -0.0468539409 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2139.9157893672 39 39 39 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 -0.0468336635 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2139.5448231331 39 39 39 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 -0.0467309435 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2139.9094955349 39 39 39 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 -0.0467696779 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2139.8274103361 39 39 39 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 -0.0467332710 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2139.6790937238 39 39 39 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 -0.0467106462 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2139.3952345385 39 39 39 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 -0.0467028561 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2139.5711037958 39 39 39 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 -0.0467305685 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2139.8153188336 39 39 39 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 -0.0467603247 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2140.1075374478 39 39 39 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 -0.0467780557 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2140.7221140765 39 39 39 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 -0.0468265965 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2142.1999281794 39 39 39 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 -0.0469542985 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2140.8227905823 39 39 39 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 -0.0468348593 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2140.2697281915 39 39 39 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 -0.0467886812 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2140.4190663948 39 39 39 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 -0.0468033327 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2140.6220114708 39 39 39 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 -0.0468252327 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2140.5327941528 39 39 39 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 -0.0468165482 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2140.6912584472 39 39 39 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 -0.0468326452 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2140.6928704319 39 39 39 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 -0.0468350270 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2140.5902455713 39 39 39 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 -0.0468231660 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2140.6779121892 39 39 39 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 -0.0468335011 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 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= 602 RedAO= T EigKep= 2.00D-06 NBF= 602 NBsUse= 599 1.00D-06 EigRej= 6.89D-07 NBFU= 599 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= 616 616 616 616 616 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -1816.72839651850 -1816.94545501827 -0.217058499772 -1817.23256316555 -0.287108147272 -1817.24700256707 -0.014439401528 -1817.25753210502 -0.010529537942 -1817.25788344331 -0.000351338293 -1817.25792345635 -0.000040013036 -1817.25792631509 -0.000002858749 -1817.25792657954 -0.000000264441 -1817.25792660767 -0.000000028131 -1817.25792661056 -0.000000002889 -1817.25792661103 -0.000000000477 -1817.25792661093 0.000000000106 -1817.25792661100 -0.000000000077 -1817.25792661 14 1.812064518457e+03 -8.597901165840e+03 2.807734205680e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245932240 LenY= 4245542240 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. 9.89256970e-01 1.40786116e+00 2.90900546e-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 17 17 8 8 7 7 7 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 0.008012893 0.005957275 -0.012563124 0.001438130 -0.015691337 -0.000666833 -0.000894370 -0.000163247 0.015553285 0.005701913 0.007557963 -0.012397037 0.004021746 -0.008578244 -0.008239082 -0.000687400 -0.004771360 0.018233309 -0.002258539 0.014821169 -0.003730097 0.010963192 -0.007998856 0.003323026 -0.010425595 0.005089206 -0.002540946 -0.012421868 0.000834161 -0.005822507 -0.000919917 -0.002549587 0.002321799 0.007087076 -0.005708436 -0.000209124 -0.000064946 -0.000629033 0.000910965 -0.002549269 0.000966937 0.001856735 -0.002591784 -0.003655979 0.004916731 -0.002598385 0.001073040 0.004339493 -0.001589708 0.000735071 -0.003941309 0.002351298 -0.002824425 -0.003733457 -0.002484350 -0.001604460 0.004192663 0.003238602 -0.003981863 -0.015547339 -0.000669383 0.008167054 -0.000022868 -0.003876297 0.013956846 0.010792421 0.001655956 -0.000229822 0.000043676 0.001366632 -0.000604949 0.001232653 0.000841206 0.000674719 0.000382655 0.001716055 0.000364675 0.001280028 0.001141488 -0.000580897 -0.000887403 -0.001316550 0.000352559 -0.001133337 -0.002116282 -0.000530035 0.000830450 0.000498011 0.001844528 0.000480718 -0.001472827 -0.000992767 0.001059068 -0.000259207 0.001803522 -0.000276123 0.001408898 0.000710393 -0.000444729 0.000531085 -0.002133953 -0.000367652 -0.002436223 0.000762559 -0.000005178 0.000246874 -0.000185352 -0.000443189 -0.000237904 -0.001079570 0.000531067 -0.000198139 -0.001503933 0.000300452 -0.000152114 0.000326431 0.000390141 0.018233309 0.005258987 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1817.26271390902 -1817.26275813826 -0.000044229243 -1817.26275828401 -0.000000145742 -1817.26275864093 -0.000000356927 -1817.26275865997 -0.000000019037 -1817.26275866271 -0.000000002735 -1817.26275866284 -0.000000000131 -1817.26275866289 -0.000000000055 -1817.26275866281 0.000000000079 -1817.26275866284 -0.000000000027 -1817.26275866 10 1.811334584175e+03 -8.557000191911e+03 2.787764936874e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245932240 LenY= 4245542240 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) PT206602.200S Thu Sep 9 00:06:25 2021 1.22522516e+00 1.48368940e+00 1.75559552e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1817.2627587 2.203E-9 4.394E-6 13.3002758,-15.8781167,2.577841,-6.0395285,-2.10602,-3.7058367 C01 [X(C15H17Cl2N3O2)] -1.3632036 -1.3503931 -0.2268183 0.000005003 -0.000000897 0.000003449 -0.000002833 0.000000582 -0.000004100 -0.000009032 -0.000001690 -0.000001649 0.000000657 0.000001605 0.000005469 -0.000013264 0.000002239 0.000007962 0.000004507 -0.000003356 0.000004749 0.000002477 -0.000003749 0.000011270 -0.000001751 0.000002872 -0.000002167 0.000008668 -0.000002793 0.000002291 0.000002669 0.000004048 0.000001066 -0.000003696 0.000002674 -0.000005794 0.000001178 -0.000000178 0.000005646 -0.000001683 0.000000826 0.000006665 0.000001637 -0.000000139 -0.000007744 0.000005583 0.000002223 -0.000005437 -0.000001963 0.000001003 -0.000002038 0.000004097 0.000002954 -0.000004383 0.000000201 0.000000767 -0.000001210 -0.000002858 -0.000001603 -0.000002266 0.000007606 -0.000001801 0.000010432 -0.000002050 -0.000007736 -0.000001138 -0.000001810 -0.000006857 0.000003366 -0.000001580 0.000001833 0.000000166 0.000002915 0.000002767 -0.000003645 0.000000784 0.000003339 -0.000001807 -0.000003004 -0.000000791 -0.000003384 -0.000001762 0.000000443 -0.000005091 0.000001257 -0.000001638 0.000007539 -0.000000966 -0.000006046 0.000006507 -0.000000805 0.000002257 -0.000004748 -0.000002495 0.000001108 -0.000007333 -0.000004126 -0.000002504 -0.000001187 0.000006295 0.000004716 -0.000006509 0.000002002 0.000003289 -0.000008171 0.000001828 0.000005158 -0.000008502 0.000001305 0.000000451 0.000000586 -0.000006783 -0.000001554 -0.000004744 0.000002870 -0.000000331 0.000006491 -0.000001079 -0.000003489 0.000009394 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-BELVIS4 PAULAPLA Optimization propiconazole_RR CONF194 water EM64L-G16RevC.01 111 C1[X(C15H17Cl2N3O2)] 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 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization propiconazole_RR CONF194 water 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 35 35 16 16 14 14 14 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 34.9688527 34.9688527 15.9949146 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 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 3 0 0 2 2 2 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 14.2400000 14.2400000 5.6000000 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 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/propiconazole_RR/water/CONF194/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 1 2 3 3 4 4 5 5 5 6 7 7 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 14 14 15 16 16 17 17 17 18 18 19 19 20 22 15 21 8 9 8 10 6 12 20 22 20 22 12 13 10 11 23 24 25 14 26 27 28 29 15 16 17 30 31 18 19 32 33 34 35 21 36 21 37 38 39 1.7674 1.7617 1.4172 1.4583 1.4147 1.4382 1.3628 1.452 1.3438 1.3208 1.3266 1.3629 1.5378 1.5411 1.5313 1.5233 1.0943 1.0949 1.0874 1.5354 1.0945 1.0957 1.0875 1.0881 1.4016 1.3982 1.5321 1.0964 1.0948 1.3928 1.3904 1.0807 1.0929 1.0948 1.094 1.3885 1.0814 1.3882 1.082 1.0779 1.0788 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 8 8 6 6 12 5 20 3 3 3 4 4 12 3 3 3 10 10 11 4 4 4 9 9 24 9 9 9 14 14 26 5 5 5 8 8 28 8 8 15 11 11 11 17 17 30 1 1 13 13 13 19 14 14 14 33 33 34 15 15 21 16 16 21 5 5 7 2 2 18 6 6 7 3 4 5 5 5 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 9 10 12 20 20 22 22 4 12 13 12 13 13 10 11 23 11 23 23 9 24 25 24 25 25 14 26 27 26 27 27 8 28 29 28 29 29 15 16 16 17 30 31 30 31 31 13 18 18 19 32 32 33 34 35 34 35 35 21 36 36 21 37 37 7 38 38 18 19 19 7 39 39 109.738 105.6824 122.505 109.4909 127.7734 102.5818 102.5956 105.7195 108.6027 110.5706 109.8858 111.6967 110.2331 102.3477 109.2968 106.8404 116.8974 110.3586 110.3796 103.2623 110.1004 107.6043 111.6263 113.8014 110.1348 114.7199 106.827 108.8584 108.7072 110.3234 107.0836 112.2978 108.1958 108.5163 110.309 108.6174 108.8348 123.8341 119.1219 117.0411 115.0787 109.1157 107.6196 109.6761 108.7216 106.2473 122.4214 115.5671 122.0114 122.361 118.4952 119.1423 112.2069 110.9655 110.6353 107.8338 107.2362 107.7706 118.6303 120.4366 120.9331 118.4933 120.603 120.9034 110.4378 122.7525 126.8057 118.8974 119.6452 121.4574 114.8897 121.7348 123.3744 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 9 9 9 8 8 8 10 10 10 8 8 8 12 20 6 6 6 20 20 20 6 6 12 12 5 5 22 22 20 20 3 3 3 4 4 4 13 13 13 3 3 4 4 12 12 3 3 3 11 11 11 23 23 23 3 3 3 10 10 10 23 23 23 9 9 9 26 26 26 27 27 27 8 8 16 16 8 8 15 15 11 11 11 30 30 30 31 31 31 1 1 13 13 13 13 32 32 15 15 36 36 16 16 37 37 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 18 18 18 18 19 19 19 19 8 8 8 9 9 9 8 8 8 10 10 10 6 6 12 12 12 12 12 12 20 20 20 20 22 22 20 20 22 22 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 21 21 21 21 21 21 21 21 4 12 13 10 11 23 3 12 13 9 24 25 22 22 8 28 29 8 28 29 7 38 7 38 7 39 5 38 6 39 5 28 29 5 28 29 5 28 29 15 16 15 16 15 16 4 24 25 4 24 25 4 24 25 14 26 27 14 26 27 14 26 27 17 30 31 17 30 31 17 30 31 1 18 1 18 19 32 19 32 33 34 35 33 34 35 33 34 35 21 36 21 36 21 37 21 37 2 19 2 19 2 18 2 18 17.1287 135.0058 -103.9248 5.1604 129.7239 -110.8382 -33.8751 -150.8897 86.4449 36.5252 -82.7801 157.1746 -175.4718 -0.5973 92.0668 -145.9496 -28.0144 -81.817 40.1666 158.1018 0.6893 -179.997 175.2198 -5.4666 0.3303 -179.2937 -0.4504 -179.7294 0.063 179.6801 -60.6698 178.5569 59.3528 54.5277 -66.2456 174.5503 178.0534 57.2801 -61.924 168.4621 -12.1633 51.0257 -129.5997 -71.4411 107.9336 -24.9911 93.2553 -141.3232 -144.3558 -26.1095 99.3121 88.4345 -153.3192 -27.8976 168.0979 47.5596 -67.7568 -76.3286 163.1331 47.8167 50.8708 -69.6675 175.0161 70.3403 -53.4146 -168.2973 -170.1644 66.0807 -48.802 -53.0248 -176.7797 68.3376 0.2479 -179.7822 -179.1388 0.8311 179.9375 0.3874 -0.6457 179.8042 -66.7312 53.9773 173.5512 56.7268 177.4353 -62.9908 172.5069 -66.7846 52.7893 179.5637 -0.4816 -0.4081 179.5466 0.0419 -179.7833 179.5892 -0.2359 179.8462 -0.239 -0.1082 179.8066 -179.6684 0.4174 0.1562 -179.758 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00112 0.00250 0.00293 0.00331 0.00412 0.00504 0.00731 0.00770 0.00979 0.01274 0.01704 0.01774 0.02075 0.02369 0.02452 0.02521 0.02714 0.03005 0.03377 0.03528 0.03688 0.03768 0.03827 0.03896 0.04097 0.04204 0.04493 0.04522 0.04692 0.05012 0.05055 0.05198 0.05814 0.06105 0.07063 0.07067 0.07257 0.07433 0.08325 0.08540 0.09184 0.10298 0.10520 0.10652 0.11130 0.11266 0.11745 0.11776 0.11903 0.11964 0.11981 0.12306 0.13389 0.14597 0.14905 0.15295 0.15428 0.15824 0.17687 0.18213 0.19243 0.19943 0.20185 0.20984 0.21486 0.22136 0.22317 0.23565 0.24266 0.24491 0.25093 0.25229 0.25343 0.26132 0.27693 0.28485 0.28701 0.28987 0.30538 0.30880 0.32288 0.32578 0.32878 0.32942 0.33127 0.33190 0.33351 0.33456 0.33889 0.34115 0.34812 0.35073 0.35252 0.36184 0.36375 0.36446 0.36789 0.37045 0.37393 0.37735 0.38602 0.38924 0.39621 0.41675 0.42901 0.45417 0.46431 0.48631 0.50276 0.53283 0.54797 Angle between quadratic step and forces= 77.50 degrees. 1 2 0.00025240 0.00000003 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 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 3.33989 3.32922 2.67815 2.75586 2.67345 2.71788 2.57537 2.74384 2.53937 2.49597 2.50695 2.57556 2.90596 2.91218 2.89372 2.87859 2.06793 2.06914 2.05483 2.90153 2.06824 2.07055 2.05502 2.05619 2.64863 2.64221 2.89516 2.07195 2.06882 2.63199 2.62739 2.04219 2.06524 2.06878 2.06731 2.62395 2.04352 2.62330 2.04473 2.03697 2.03864 1.91529 1.84451 2.13812 1.91098 2.23007 1.79039 1.79063 1.84515 1.89548 1.92982 1.91787 1.94947 1.92393 1.78630 1.90759 1.86472 2.04025 1.92612 1.92649 1.80227 1.92161 1.87805 1.94825 1.98621 1.92221 2.00224 1.86448 1.89994 1.89730 1.92551 1.86896 1.95997 1.88837 1.89397 1.92526 1.89573 1.89953 2.16131 2.07907 2.04275 2.00850 1.90443 1.87832 1.91421 1.89755 1.85437 2.13666 2.01703 2.12950 2.13560 2.06813 2.07943 1.95838 1.93671 1.93095 1.88205 1.87162 1.88095 2.07049 2.10201 2.11068 2.06810 2.10492 2.11016 1.92750 2.14244 2.21318 2.07515 2.08820 2.11983 2.00520 2.12467 2.15329 0.29895 2.35630 -1.81383 0.09007 2.26411 -1.93449 -0.59123 -2.63352 1.50875 0.63749 -1.44478 2.74321 -3.06256 -0.01042 1.60687 -2.54730 -0.48894 -1.42798 0.70104 2.75940 0.01203 -3.14154 3.05816 -0.09541 0.00576 -3.12927 -0.00786 -3.13687 0.00110 3.13601 -1.05889 3.11641 1.03590 0.95169 -1.15620 3.04648 3.10762 0.99973 -1.08078 2.94022 -0.21229 0.89057 -2.26194 -1.24688 1.88380 -0.43618 1.62761 -2.46655 -2.51948 -0.45570 1.73332 1.54347 -2.67592 -0.48691 2.93386 0.83007 -1.18258 -1.33219 2.84721 0.83456 0.88786 -1.21593 3.05461 1.22767 -0.93226 -2.93734 -2.96993 1.15333 -0.85175 -0.92546 -3.08539 1.19272 0.00433 -3.13779 -3.12656 0.01451 3.14050 0.00676 -0.01127 3.13817 -1.16468 0.94208 3.02904 0.99007 3.09683 -1.09940 3.01081 -1.16561 0.92135 3.13398 -0.00841 -0.00712 3.13368 0.00073 -3.13781 3.13442 -0.00412 3.13891 -0.00417 -0.00189 3.13822 -3.13581 0.00728 0.00273 -3.13737 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 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 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00002 -0.00004 -0.00001 -0.00000 -0.00002 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00002 -0.00001 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00002 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 0.00003 0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00002 -0.00001 0.00003 -0.00001 0.00000 -0.00002 0.00004 0.00000 -0.00001 -0.00001 -0.00002 -0.00000 0.00002 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00004 0.00000 0.00002 0.00002 0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00002 -0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00028 -0.00029 -0.00031 0.00027 0.00026 0.00026 0.00018 0.00018 0.00018 -0.00001 -0.00001 -0.00001 -0.00010 0.00005 0.00019 0.00019 0.00019 0.00000 0.00001 0.00000 -0.00005 0.00001 0.00012 0.00018 -0.00004 -0.00002 0.00002 -0.00004 0.00001 -0.00001 -0.00006 -0.00005 -0.00005 -0.00005 -0.00004 -0.00004 -0.00003 -0.00002 -0.00002 0.00008 0.00008 0.00006 0.00005 0.00006 0.00006 -0.00015 -0.00016 -0.00016 -0.00013 -0.00014 -0.00014 -0.00011 -0.00012 -0.00012 0.00018 0.00016 0.00017 0.00017 0.00015 0.00016 0.00015 0.00013 0.00014 0.00005 0.00005 0.00005 0.00006 0.00006 0.00006 0.00007 0.00007 0.00007 -0.00003 -0.00002 -0.00002 -0.00002 0.00001 0.00001 0.00001 0.00000 0.00005 0.00005 0.00005 0.00006 0.00006 0.00006 0.00005 0.00005 0.00005 0.00002 0.00002 0.00001 0.00001 0.00001 0.00003 0.00001 0.00003 -0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00002 -0.00003 -0.00004 -0.00001 -0.00001 0.00002 -0.00004 -0.00001 -0.00000 -0.00002 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00002 -0.00001 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00002 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 0.00003 0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00002 -0.00001 0.00003 -0.00001 0.00000 -0.00002 0.00004 0.00000 -0.00001 -0.00001 -0.00002 -0.00000 0.00002 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00003 0.00000 0.00002 0.00002 0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00002 -0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00028 -0.00029 -0.00031 0.00027 0.00026 0.00026 0.00018 0.00018 0.00018 -0.00001 -0.00001 -0.00001 -0.00010 0.00005 0.00019 0.00019 0.00019 0.00000 0.00001 0.00000 -0.00005 0.00001 0.00012 0.00018 -0.00004 -0.00002 0.00002 -0.00004 0.00001 -0.00001 -0.00006 -0.00005 -0.00005 -0.00005 -0.00004 -0.00004 -0.00003 -0.00002 -0.00002 0.00008 0.00008 0.00006 0.00005 0.00006 0.00006 -0.00015 -0.00016 -0.00016 -0.00013 -0.00014 -0.00014 -0.00011 -0.00012 -0.00012 0.00018 0.00016 0.00017 0.00017 0.00015 0.00016 0.00015 0.00013 0.00014 0.00005 0.00005 0.00005 0.00006 0.00006 0.00006 0.00007 0.00007 0.00007 -0.00003 -0.00002 -0.00002 -0.00002 0.00001 0.00001 0.00001 0.00000 0.00005 0.00005 0.00005 0.00006 0.00006 0.00006 0.00005 0.00005 0.00005 0.00002 0.00002 0.00001 0.00001 0.00001 0.00003 0.00001 0.00003 -0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00002 -0.00003 -0.00004 3.33989 3.32921 2.67816 2.75581 2.67344 2.71787 2.57535 2.74384 2.53936 2.49597 2.50695 2.57555 2.90597 2.91218 2.89369 2.87858 2.06794 2.06914 2.05484 2.90151 2.06825 2.07055 2.05502 2.05620 2.64865 2.64221 2.89516 2.07196 2.06882 2.63200 2.62740 2.04219 2.06524 2.06878 2.06732 2.62396 2.04352 2.62331 2.04473 2.03697 2.03864 1.91531 1.84453 2.13813 1.91099 2.23006 1.79039 1.79063 1.84517 1.89547 1.92980 1.91786 1.94950 1.92392 1.78630 1.90757 1.86476 2.04025 1.92611 1.92648 1.80225 1.92161 1.87807 1.94826 1.98621 1.92221 2.00224 1.86448 1.89993 1.89731 1.92550 1.86896 1.95993 1.88838 1.89399 1.92527 1.89574 1.89951 2.16132 2.07907 2.04275 2.00850 1.90444 1.87832 1.91421 1.89755 1.85436 2.13667 2.01703 2.12949 2.13561 2.06814 2.07941 1.95839 1.93671 1.93095 1.88205 1.87162 1.88095 2.07050 2.10201 2.11067 2.06810 2.10491 2.11017 1.92750 2.14244 2.21318 2.07516 2.08821 2.11982 2.00521 2.12467 2.15329 0.29867 2.35600 -1.81414 0.09033 2.26437 -1.93423 -0.59105 -2.63334 1.50893 0.63748 -1.44479 2.74321 -3.06266 -0.01037 1.60706 -2.54711 -0.48876 -1.42797 0.70104 2.75940 0.01198 -3.14153 3.05828 -0.09523 0.00573 -3.12928 -0.00784 -3.13691 0.00111 3.13600 -1.05894 3.11636 1.03586 0.95164 -1.15625 3.04644 3.10759 0.99971 -1.08080 2.94030 -0.21221 0.89063 -2.26189 -1.24682 1.88385 -0.43633 1.62745 -2.46672 -2.51961 -0.45584 1.73318 1.54336 -2.67604 -0.48703 2.93404 0.83023 -1.18241 -1.33202 2.84736 0.83472 0.88801 -1.21580 3.05474 1.22772 -0.93221 -2.93729 -2.96987 1.15339 -0.85170 -0.92539 -3.08532 1.19278 0.00430 -3.13781 -3.12658 0.01449 3.14051 0.00677 -0.01126 3.13818 -1.16463 0.94213 3.02909 0.99012 3.09689 -1.09934 3.01086 -1.16556 0.92140 3.13399 -0.00839 -0.00711 3.13369 0.00074 -3.13778 3.13444 -0.00408 3.13891 -0.00416 -0.00189 3.13822 -3.13581 0.00727 0.00270 -3.13741 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000009 0.000002 0.001208 0.000252 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.481935e-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 1 2 3 3 4 4 5 5 5 6 7 7 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 14 14 15 16 16 17 17 17 18 18 19 19 20 22 15 21 8 9 8 10 6 12 20 22 20 22 12 13 10 11 23 24 25 14 26 27 28 29 15 16 17 30 31 18 19 32 33 34 35 21 36 21 37 38 39 1.7674 1.7617 1.4172 1.4583 1.4147 1.4382 1.3628 1.452 1.3438 1.3208 1.3266 1.3629 1.5378 1.5411 1.5313 1.5233 1.0943 1.0949 1.0874 1.5354 1.0945 1.0957 1.0875 1.0881 1.4016 1.3982 1.5321 1.0964 1.0948 1.3928 1.3904 1.0807 1.0929 1.0948 1.094 1.3885 1.0814 1.3882 1.082 1.0779 1.0788 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 8 8 6 6 12 5 20 3 3 3 4 4 12 3 3 3 10 10 11 4 4 4 9 9 24 9 9 9 14 14 26 5 5 5 8 8 28 8 8 15 11 11 11 17 17 30 1 1 13 13 13 19 14 14 14 33 33 34 15 15 21 16 16 21 5 5 7 2 2 18 6 6 7 3 4 5 5 5 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 9 10 12 20 20 22 22 4 12 13 12 13 13 10 11 23 11 23 23 9 24 25 24 25 25 14 26 27 26 27 27 8 28 29 28 29 29 15 16 16 17 30 31 30 31 31 13 18 18 19 32 32 33 34 35 34 35 35 21 36 36 21 37 37 7 38 38 18 19 19 7 39 39 109.738 105.6824 122.505 109.4909 127.7734 102.5818 102.5956 105.7195 108.6027 110.5706 109.8858 111.6967 110.2331 102.3477 109.2968 106.8404 116.8974 110.3586 110.3796 103.2623 110.1004 107.6043 111.6263 113.8014 110.1348 114.7199 106.827 108.8584 108.7072 110.3234 107.0836 112.2978 108.1958 108.5163 110.309 108.6174 108.8348 123.8341 119.1219 117.0411 115.0787 109.1157 107.6196 109.6761 108.7216 106.2473 122.4214 115.5671 122.0114 122.361 118.4952 119.1423 112.2069 110.9655 110.6353 107.8338 107.2362 107.7706 118.6303 120.4366 120.9331 118.4933 120.603 120.9034 110.4378 122.7525 126.8057 118.8974 119.6452 121.4574 114.8897 121.7348 123.3744 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 9 9 9 8 8 8 10 10 10 8 8 8 12 20 6 6 6 20 20 20 6 6 12 12 5 5 22 22 20 20 3 3 3 4 4 4 13 13 13 3 3 4 4 12 12 3 3 3 11 11 11 23 23 23 3 3 3 10 10 10 23 23 23 9 9 9 26 26 26 27 27 27 8 8 16 16 8 8 15 15 11 11 11 30 30 30 31 31 31 1 1 13 13 13 13 32 32 15 15 36 36 16 16 37 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 18 18 18 18 19 19 19 8 8 8 9 9 9 8 8 8 10 10 10 6 6 12 12 12 12 12 12 20 20 20 20 22 22 20 20 22 22 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 21 21 21 21 21 21 21 4 12 13 10 11 23 3 12 13 9 24 25 22 22 8 28 29 8 28 29 7 38 7 38 7 39 5 38 6 39 5 28 29 5 28 29 5 28 29 15 16 15 16 15 16 4 24 25 4 24 25 4 24 25 14 26 27 14 26 27 14 26 27 17 30 31 17 30 31 17 30 31 1 18 1 18 19 32 19 32 33 34 35 33 34 35 33 34 35 21 36 21 36 21 37 21 37 2 19 2 19 2 18 2 17.1287 135.0058 -103.9248 5.1604 129.7239 -110.8382 -33.8751 -150.8897 86.4449 36.5252 -82.7801 157.1746 -175.4718 -0.5973 92.0668 -145.9496 -28.0144 -81.817 40.1666 158.1018 0.6893 -179.997 175.2198 -5.4666 0.3303 -179.2937 -0.4504 -179.7294 0.063 179.6801 -60.6698 178.5569 59.3528 54.5277 -66.2456 174.5503 178.0534 57.2801 -61.924 168.4621 -12.1633 51.0257 -129.5997 -71.4411 107.9336 -24.9911 93.2553 -141.3232 -144.3558 -26.1095 99.3121 88.4345 -153.3192 -27.8976 168.0979 47.5596 -67.7568 -76.3286 163.1331 47.8167 50.8708 -69.6675 175.0161 70.3403 -53.4146 -168.2973 -170.1644 66.0807 -48.802 -53.0248 -176.7797 68.3376 0.2479 -179.7822 -179.1388 0.8311 179.9375 0.3874 -0.6457 179.8042 -66.7312 53.9773 173.5512 56.7268 177.4353 -62.9908 172.5069 -66.7846 52.7893 179.5637 -0.4816 -0.4081 179.5466 0.0419 -179.7833 179.5892 -0.2359 179.8462 -0.239 -0.1082 179.8066 -179.6684 0.4174 0.1562 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 624 A 602 A 602 962 624 89 89 2140.6779121892 39 39 39 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 -0.0468335011 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 5.381439 0.000000 4.602149 6.696929 0.000000 3.070744 6.775924 2.257512 0.000000 4.469124 8.235149 2.880388 2.846876 0.000000 5.764761 9.041597 3.158830 3.851299 1.362825 0.000000 5.984133 10.297712 4.523891 4.114603 2.193318 2.262168 0.000000 3.214212 6.103097 1.417214 1.414728 2.483411 3.335246 4.348231 0.000000 5.164439 7.362191 1.458337 2.328917 3.720045 3.969515 4.814363 2.351856 0.000000 4.173964 7.038047 2.329522 1.438238 3.895586 4.586028 4.899801 2.273756 1.531289 0.000000 6.184304 7.286110 2.432150 3.660652 5.112690 5.194483 6.252117 3.500431 1.523284 2.603025 0.000000 3.440245 6.804235 2.400766 2.417890 1.451979 2.468246 3.602321 1.537770 3.549521 3.594482 4.790839 0.000000 2.782874 4.562973 2.432718 2.447104 3.827710 4.687295 5.811319 1.541060 3.305662 3.058416 3.973199 2.525618 0.000000 7.301007 8.465941 3.821619 4.642656 6.225747 6.242929 6.973575 4.820073 2.575670 3.328465 1.535421 6.105718 5.359848 0.000000 1.767394 4.012062 3.753955 3.041255 4.572284 5.644965 6.462343 2.597039 4.474477 3.826344 5.174731 3.241794 1.401596 6.446321 0.000000 4.049861 4.015303 2.734852 3.577595 4.757316 5.331036 6.793132 2.535170 3.606504 3.776548 3.752417 3.498581 1.398198 5.200086 2.387743 0.000000 7.160629 8.527287 4.603387 4.719346 6.818212 7.081477 7.454788 5.252354 3.242037 3.281676 2.588215 6.646607 5.671045 1.532055 6.499703 5.699477 0.000000 2.681092 2.719565 4.864261 4.366862 5.897710 6.912881 7.839414 3.878742 5.560032 4.955336 5.989477 4.510311 2.444165 7.237322 1.392791 2.776363 7.232839 0.000000 4.545525 2.729505 4.117024 4.761597 6.042375 6.652966 8.116195 3.836616 4.878931 4.917567 4.796602 4.699192 2.443173 6.138126 2.780614 1.390355 6.514782 2.422177 0.000000 4.665358 9.087678 3.816219 3.074789 1.343776 2.210226 1.326621 3.300555 4.272424 4.124183 5.771955 2.510831 4.671739 6.665901 5.197965 5.771602 7.048917 6.571939 7.039108 0.000000 3.983797 1.761747 4.986775 5.058203 6.507255 7.328348 8.555970 4.341420 5.706025 5.395416 5.808842 5.093072 2.801262 7.082323 2.391904 2.387820 7.221572 1.388533 1.388193 7.361952 0.000000 6.479715 10.203513 4.124594 4.428793 2.094290 1.320811 1.362928 4.284681 4.590218 5.085989 5.877791 3.495306 5.743446 6.686201 6.616547 6.494656 7.433632 7.946948 7.842043 2.099063 8.467201 0.000000 5.840383 8.418914 2.061288 2.821351 3.590806 3.592656 4.228001 2.991800 1.094302 2.169855 2.163069 3.847887 4.207636 2.770588 5.358394 4.586894 3.535510 6.529188 5.903073 3.975697 6.738733 3.955999 0.000000 4.082270 6.309254 2.877121 2.085624 4.762459 5.511519 5.938546 2.717908 2.186235 1.094941 2.698775 4.189582 2.925554 3.387958 3.519944 3.475272 3.085080 4.424531 4.390827 5.068052 4.778877 6.117327 3.052289 0.000000 4.732624 7.982411 3.231045 2.048628 4.317024 4.980797 4.836532 3.186245 2.207071 1.087370 3.216250 4.305754 4.077276 3.495066 4.697161 4.859693 3.159639 5.837547 5.972031 4.223934 6.374857 5.210851 2.400947 1.789122 0.000000 6.769082 7.539301 2.537269 4.305839 5.201740 5.037044 6.404564 3.838163 2.117427 3.480805 1.094468 4.918474 4.319907 2.152519 5.640663 3.879884 3.502178 6.418956 4.919938 6.025585 6.094089 5.801605 2.517268 3.674395 4.139663 0.000000 5.832625 6.333353 2.730521 3.761195 5.540634 5.798409 6.915870 3.517473 2.144737 2.764824 1.095687 4.939149 3.547349 2.174090 4.639602 3.130356 2.801279 5.256782 3.969635 6.258597 4.954195 6.606310 3.057369 2.436916 3.538385 1.761521 0.000000 2.727601 6.655085 3.344730 2.731263 2.068080 3.275041 3.955137 2.169831 4.382461 4.097305 5.642000 1.087469 2.744132 6.929854 2.959624 3.907601 7.301816 4.195947 4.918671 2.711996 5.016174 4.128294 4.734213 4.578551 4.738420 5.873751 5.673426 0.000000 4.113762 6.649541 2.630215 3.341261 2.072594 2.586886 4.238801 2.148726 4.007309 4.346740 5.031841 1.088090 2.756417 6.450486 3.584337 3.355560 7.170364 4.657483 4.478979 3.330797 5.011422 3.819342 4.334650 4.855513 5.160529 4.941279 5.142011 1.769333 0.000000 7.768794 9.375161 4.045261 4.885164 6.100931 5.955204 6.543132 5.123985 2.772640 3.659711 2.159232 6.235752 5.923918 1.096431 7.059563 5.885783 2.163454 7.979559 6.947955 6.440420 7.910239 6.218903 2.517163 4.004262 3.629770 2.513828 3.070868 7.112970 6.603734 0.000000 8.127824 8.675117 4.542961 5.603713 7.101522 7.025116 7.930697 5.624538 3.478493 4.320365 2.138613 6.910518 6.000586 1.094771 7.111758 5.604127 2.149978 7.765031 6.393268 7.641576 7.427058 7.531458 3.712359 4.244386 4.563424 2.378497 2.530522 7.766184 7.132166 1.752814 0.000000 4.916140 4.865670 2.314690 3.812598 4.701199 5.008304 6.662875 2.693118 3.194685 3.797809 3.123613 3.644011 2.136489 4.618429 3.367390 1.080681 5.376854 3.857039 2.136438 5.802380 3.366467 6.182502 4.099922 3.649496 4.869504 3.006189 2.647946 4.307574 3.375465 5.243940 4.930202 0.000000 6.608467 8.661315 4.444803 4.110575 6.291764 6.668479 6.755701 4.896034 3.038112 2.710001 2.929982 6.223017 5.472514 2.192538 6.201896 5.768902 1.092879 7.063118 6.682597 6.346180 7.260996 6.904888 3.223478 2.683960 2.292310 3.931855 3.231870 6.797320 6.884777 2.509847 3.074573 5.564758 0.000000 6.869772 7.734132 4.774283 4.808901 7.151804 7.540965 8.026910 5.272153 3.584986 3.424651 2.816961 6.761572 5.389360 2.178510 6.091373 5.316323 1.094751 6.646956 5.937220 7.460885 6.560031 8.027724 4.150847 2.874321 3.501386 3.766753 2.585474 7.334213 7.253822 3.078500 2.541805 5.119325 1.767963 0.000000 8.189356 9.471067 5.629770 5.740433 7.771170 7.963966 8.229087 6.322830 4.240086 4.305729 3.522539 7.687530 6.764100 2.173776 7.572277 6.759861 1.093975 8.273448 7.528291 7.929835 8.236074 8.215927 4.375338 4.134311 4.030202 4.304420 3.780852 8.352036 8.215312 2.526518 2.446951 6.401414 1.760595 1.768137 0.000000 2.783243 2.862560 5.840721 5.064648 6.606525 7.711135 8.457546 4.748582 6.483413 5.718939 6.965532 5.257487 3.420444 8.148632 2.152961 3.857742 8.011659 1.081386 3.403269 7.152419 2.154325 8.685673 7.428163 5.162042 6.502656 7.453069 6.224500 4.759893 5.468497 8.895230 8.701040 4.938419 7.777967 7.385060 9.025514 0.000000 5.627326 2.879119 4.712762 5.661802 6.835190 7.294597 8.909536 4.688211 5.424538 5.661786 5.068751 5.543874 3.419933 6.349666 3.862630 2.153045 6.832314 3.403719 1.082024 7.902728 2.154240 8.515340 6.432228 5.111771 6.716922 5.038738 4.204185 5.861220 5.197478 7.197721 6.422531 2.467505 7.157424 6.220961 7.783160 4.299308 0.000000 4.055418 8.906420 4.276367 2.942364 2.129538 3.236353 2.152965 3.464951 4.631275 4.113571 6.148833 2.828316 4.663454 7.005528 4.915857 5.915991 7.170513 6.272316 7.093056 1.077919 7.223789 3.156137 4.477971 4.952579 4.125339 6.556673 6.515212 2.663172 3.797060 6.872886 8.024722 6.124404 6.375722 7.496558 8.056952 6.719415 8.039328 0.000000 7.550696 11.107092 4.860034 5.392728 3.134694 2.099360 2.153849 5.221465 5.234264 5.897437 6.385759 4.484858 6.675444 7.073062 7.622385 7.311825 7.924870 8.935109 8.665458 3.140648 9.379364 1.078802 4.467285 6.944130 5.967316 6.191472 7.209965 5.165188 4.676074 6.476369 7.849738 6.885285 7.451919 8.607444 8.622836 9.706836 9.263339 4.169182 0.000000 C15H17Cl2N3O2 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 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3091400 0.1605585 0.1252006 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= 602 RedAO= T EigKep= 2.00D-06 NBF= 602 NBsUse= 599 1.00D-06 EigRej= 6.89D-07 NBFU= 599 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= 616 616 616 616 616 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -1817.26275866288 -1817.26275866 1 1.811334584344e+03 -8.557000191547e+03 2.787764936341e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245932240 LenY= 4245542240 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= 39. Will process 40 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) 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. 12057 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 4246732800 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= 800000000 NMat= 117 IRICut= 292 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 120 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 117 vectors produced by pass 0 Test12= 4.54D-14 1.00D-09 XBig12= 2.53D+02 6.30D+00. AX will form 117 AO Fock derivatives at one time. 117 vectors produced by pass 1 Test12= 4.54D-14 1.00D-09 XBig12= 4.13D+01 8.57D-01. 117 vectors produced by pass 2 Test12= 4.54D-14 1.00D-09 XBig12= 3.14D-01 4.61D-02. 117 vectors produced by pass 3 Test12= 4.54D-14 1.00D-09 XBig12= 1.77D-03 2.97D-03. 117 vectors produced by pass 4 Test12= 4.54D-14 1.00D-09 XBig12= 6.11D-06 2.88D-04. 105 vectors produced by pass 5 Test12= 4.54D-14 1.00D-09 XBig12= 1.53D-08 1.28D-05. 47 vectors produced by pass 6 Test12= 4.54D-14 1.00D-09 XBig12= 2.25D-11 3.78D-07. 3 vectors produced by pass 7 Test12= 4.54D-14 1.00D-09 XBig12= 2.51D-14 1.27D-08. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 740 with 120 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 314.07 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 375.721 4.990 270.986 -9.662 -43.522 295.509 386.153 5.448 280.541 -11.811 -54.360 321.202 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT102617.800S Thu Sep 9 01:21:34 2021 1.22522460e+00 1.48368934e+00 1.75559685e-01 3.75721066e+02 4.99044198e+00 2.70985600e+02 -9.66170102e+00 -4.35216741e+01 2.95509199e+02 -11.6543 0.0015 0.0016 0.0017 2.8160 9.1042 18.3790 28.8147 34.6057 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 18.2600 28.6442 34.4419 53.6430 54.9286 67.4914 85.3966 121.5719 143.7235 148.9955 168.5213 178.2040 184.4213 203.6688 236.7538 272.4260 291.4141 305.3333 319.2989 347.9540 377.5672 396.4780 402.2642 434.6838 459.6739 464.9150 505.9511 537.6969 575.4867 642.6730 661.3495 671.0001 679.6386 688.7450 713.3206 744.7900 782.8305 791.0258 827.6867 838.1755 841.8788 875.2531 883.8078 885.3949 901.1114 905.0033 906.5250 918.8910 982.9563 987.6666 995.7131 1014.5832 1023.7955 1029.1279 1059.2382 1071.7199 1082.7959 1087.3646 1117.1726 1123.4459 1141.6281 1165.1025 1167.8528 1200.9369 1210.0888 1226.5818 1236.8815 1242.0090 1273.6429 1285.7933 1288.1315 1293.1628 1307.4163 1335.0773 1345.4967 1360.3540 1373.5196 1381.9324 1393.0744 1400.9908 1405.8539 1409.1289 1415.4886 1462.8354 1470.6727 1478.0777 1481.2194 1486.7749 1491.0390 1494.6276 1505.8887 1537.6951 1590.8031 1617.7987 3014.3410 3020.9422 3022.0530 3033.0317 3040.9094 3049.1533 3067.7128 3079.4075 3092.8214 3116.9760 3144.9578 3172.9140 3205.6563 3215.9943 3223.6977 3261.5533 3275.8067 4.7934 8.3936 7.8383 2.7902 4.0941 5.3166 5.2691 3.0099 3.5484 4.6818 6.1373 7.8003 2.9579 11.0642 3.3945 3.6386 1.8426 4.1616 5.0168 4.7484 5.9500 1.9776 9.2829 3.6705 2.2493 2.9783 8.6615 4.7630 4.3849 4.2666 3.0607 5.1086 4.2134 3.9661 5.6961 4.4407 1.3203 6.9474 4.9126 2.2336 1.6155 2.3032 1.4933 1.4516 1.5694 5.0511 1.5378 2.5511 2.2680 2.0040 2.5261 2.2186 5.9021 3.4052 2.2761 4.5501 2.7193 2.4803 2.8086 2.0791 2.0987 1.5301 2.0943 2.9985 2.6437 3.1174 1.6838 1.4340 1.2578 2.1345 1.5588 1.2127 5.8112 2.5382 1.2135 1.5712 1.3787 1.3140 2.0896 1.4783 2.2357 1.2918 1.5559 1.2990 1.0642 1.0862 2.6511 1.0644 2.4019 1.0663 1.0815 3.4780 7.6305 6.4333 1.0620 1.0500 1.0514 1.0740 1.0801 1.0961 1.1028 1.1016 1.1010 1.0599 1.1000 1.1079 1.0912 1.0935 1.0930 1.0950 1.0986 0.0009 0.0041 0.0055 0.0047 0.0073 0.0143 0.0226 0.0262 0.0432 0.0612 0.1027 0.1459 0.0593 0.2704 0.1121 0.1591 0.0922 0.2286 0.3014 0.3387 0.4998 0.1832 0.8850 0.4086 0.2800 0.3793 1.3064 0.8113 0.8556 1.0383 0.7887 1.3552 1.1467 1.1085 1.7076 1.4513 0.4767 2.5613 1.9829 0.9245 0.6746 1.0396 0.6872 0.6705 0.7508 2.4375 0.7446 1.2691 1.2911 1.1518 1.4756 1.3456 3.6449 2.1248 1.5046 3.0792 1.8785 1.7279 2.0653 1.5461 1.6115 1.2238 1.6829 2.5480 2.2808 2.7634 1.5178 1.3033 1.2021 2.0792 1.5239 1.1948 5.8526 2.6656 1.2943 1.7131 1.5325 1.4785 2.3892 1.7096 2.6034 1.5113 1.8367 1.6377 1.3561 1.3982 3.4270 1.3862 3.1462 1.4035 1.4450 4.8453 11.3772 9.9204 5.6854 5.6458 5.6576 5.8211 5.8845 6.0041 6.1145 6.1550 6.2051 6.0673 6.4105 6.5713 6.6070 6.6635 6.6921 6.8630 6.9457 1.0944 1.1445 0.2109 1.2514 3.1288 0.4606 0.0486 0.8550 3.2803 0.2664 0.1446 0.5404 1.1508 0.7911 2.2114 1.1861 2.9915 8.0984 5.2014 0.6772 0.0717 10.3602 8.2826 2.1334 4.5299 8.3722 61.6464 9.0989 11.1567 2.3365 4.7562 33.9455 42.8675 17.4923 9.6685 11.1651 15.6558 114.9456 21.9695 6.3672 49.9239 29.9356 23.9332 31.6653 1.9048 8.2307 9.8401 70.0206 49.0840 21.1372 114.4223 140.7903 60.4946 99.6450 3.1973 57.9061 73.3933 10.4624 66.7487 101.4397 24.7809 12.6264 5.0981 100.8526 51.8874 155.3230 103.0634 28.6590 8.3901 47.2885 5.2688 7.0500 9.4892 15.8632 1.8509 4.0177 1.7336 1.6093 24.3945 14.8837 53.3135 8.1529 1.6774 27.8409 2.1866 4.2927 17.8645 17.6415 101.3657 9.4981 8.4626 113.5741 57.9589 114.7284 54.6655 42.7730 9.4735 45.8548 61.3099 54.8112 90.4036 88.9210 80.7232 8.2878 26.7971 0.7728 0.0263 3.8733 2.7036 1.6794 5.1389 -0.04 0.04 0.01 -0.05 0.09 0.02 -0.06 -0.01 -0.01 -0.06 -0.02 -0.02 -0.02 -0.05 -0.01 -0.05 -0.06 0.00 -0.00 -0.15 0.01 -0.05 -0.01 -0.02 0.05 0.04 -0.01 -0.01 -0.02 -0.00 0.19 -0.01 0.01 -0.03 -0.01 -0.03 -0.05 0.01 -0.01 0.29 0.05 0.00 -0.04 0.04 0.00 -0.06 -0.00 -0.02 0.25 -0.01 0.03 -0.04 0.06 0.02 -0.06 0.02 -0.02 0.00 -0.11 -0.01 -0.05 0.06 0.01 -0.04 -0.12 0.01 0.05 0.15 -0.02 0.00 -0.06 0.04 -0.02 -0.00 -0.02 0.23 0.01 0.01 0.19 -0.11 0.05 0.00 -0.01 -0.05 -0.04 0.01 -0.04 0.29 0.16 -0.05 0.41 0.02 0.03 -0.06 -0.02 -0.04 0.13 0.02 -0.01 0.24 -0.13 0.08 0.33 0.02 0.02 -0.04 0.08 0.03 -0.06 0.02 -0.02 0.03 -0.11 -0.03 -0.05 -0.14 0.03 -0.06 -0.14 -0.16 0.03 0.06 0.17 0.04 0.02 -0.09 0.02 0.01 -0.09 -0.01 0.01 0.03 -0.13 0.15 0.17 0.08 -0.07 0.24 0.01 0.01 -0.09 0.02 0.01 -0.08 0.02 0.01 -0.09 -0.01 0.02 -0.08 -0.02 0.02 -0.10 0.01 -0.02 -0.07 -0.03 0.01 -0.08 -0.02 -0.07 -0.08 0.05 0.05 0.01 -0.03 0.02 -0.08 -0.01 -0.05 -0.01 0.05 0.07 0.08 0.11 -0.12 0.07 0.02 0.02 0.07 -0.07 0.09 0.29 0.02 -0.01 -0.08 0.03 0.01 -0.09 0.03 0.01 -0.08 -0.01 0.02 -0.08 -0.01 0.04 -0.08 0.03 -0.00 -0.18 -0.11 0.07 -0.14 -0.03 -0.02 -0.07 -0.05 0.01 -0.08 0.07 0.08 0.02 -0.01 0.01 -0.08 -0.03 0.04 -0.09 -0.05 0.01 -0.08 -0.04 -0.08 -0.02 0.08 0.12 0.14 0.21 -0.24 -0.02 -0.13 0.17 0.41 0.07 -0.12 -0.05 -0.01 0.22 0.07 -0.02 -0.11 0.02 0.06 -0.06 0.04 -0.07 0.01 0.04 0.00 -0.07 -0.04 -0.12 0.31 -0.01 -0.00 -0.10 0.02 0.01 -0.09 0.01 0.07 -0.05 0.00 -0.02 -0.11 -0.05 -0.06 -0.10 0.08 -0.00 -0.09 -0.02 0.04 -0.09 -0.04 0.03 -0.06 -0.03 -0.04 -0.06 -0.01 0.16 -0.04 -0.07 0.02 0.02 -0.01 -0.04 0.03 0.00 -0.14 0.23 0.06 -0.01 0.07 0.02 -0.03 0.11 -0.07 0.01 -0.10 0.06 0.08 -0.05 -0.05 0.11 -0.03 0.03 -0.08 -0.13 -0.04 -0.01 -0.11 -0.12 -0.12 -0.09 0.14 -0.04 -0.17 0.09 0.03 -0.09 0.05 -0.01 -0.10 -0.09 -0.06 -0.08 -0.01 0.21 -0.02 -0.02 0.17 -0.04 -0.16 0.19 -0.03 -0.07 0.05 0.06 -0.00 -0.07 0.06 0.02 -0.20 0.33 0.12 0.01 0.11 -0.13 -0.02 -0.03 -0.03 0.00 -0.04 0.01 -0.01 0.03 -0.00 0.01 0.04 0.01 0.01 0.00 0.01 0.01 -0.09 -0.02 0.01 -0.06 -0.01 -0.00 0.03 0.01 -0.05 0.01 0.00 0.02 0.05 -0.01 -0.14 0.03 -0.04 0.01 0.03 0.01 -0.00 0.03 0.01 -0.09 0.01 0.06 -0.01 -0.01 -0.01 0.01 0.06 0.04 0.23 0.08 -0.03 -0.01 -0.03 -0.01 0.01 0.05 0.05 0.01 0.02 0.01 0.00 -0.00 0.02 0.01 -0.13 -0.04 -0.05 -0.05 0.04 0.03 0.05 -0.07 0.06 0.07 0.02 -0.28 0.04 -0.02 -0.12 0.05 -0.18 0.02 0.03 0.01 0.01 0.03 0.01 -0.11 -0.06 0.31 -0.27 0.01 -0.03 0.02 0.09 0.06 0.43 0.07 0.09 0.26 0.15 -0.28 0.25 0.06 0.03 -0.02 -0.06 -0.03 0.02 0.07 0.07 0.01 0.09 0.04 0.01 -0.20 -0.06 -0.00 0.10 0.08 0.00 0.03 0.03 0.02 -0.02 -0.04 -0.00 -0.04 -0.04 -0.00 -0.01 -0.04 -0.01 0.17 0.03 0.01 -0.00 -0.01 0.00 -0.03 -0.04 -0.04 -0.06 -0.02 0.00 -0.04 -0.04 -0.12 -0.02 -0.02 -0.00 -0.03 -0.05 0.00 -0.04 -0.04 -0.08 -0.06 0.10 0.00 0.04 0.03 0.01 -0.11 -0.10 0.16 -0.06 0.05 0.00 0.06 0.05 0.01 -0.10 -0.09 0.01 -0.11 -0.06 0.00 -0.01 -0.01 -0.01 0.16 0.04 -0.04 -0.12 -0.00 0.01 -0.04 -0.06 0.03 -0.04 -0.02 -0.22 0.02 -0.00 -0.10 -0.01 -0.12 -0.01 -0.03 -0.04 0.00 -0.03 -0.05 -0.09 -0.11 0.29 -0.22 -0.04 0.06 0.01 -0.17 -0.15 0.30 -0.07 0.11 0.18 -0.02 -0.14 0.18 -0.07 0.12 0.00 0.12 0.10 0.01 -0.16 -0.14 0.02 -0.25 -0.11 -0.01 0.29 0.09 0.06 -0.08 0.00 -0.02 0.02 -0.07 -0.02 -0.04 0.08 -0.00 0.02 0.09 -0.01 0.00 0.01 0.04 0.23 0.04 -0.06 -0.15 -0.14 -0.01 -0.01 0.09 0.01 -0.01 0.05 0.02 0.03 0.05 0.01 -0.04 -0.03 -0.01 -0.02 0.10 -0.01 -0.00 0.08 0.01 0.01 -0.12 0.02 -0.03 0.02 -0.04 0.05 0.10 0.04 0.12 -0.15 0.02 -0.02 -0.02 -0.04 0.07 0.07 -0.07 -0.22 -0.09 -0.02 0.02 0.00 0.02 0.13 -0.05 0.00 0.00 0.07 0.03 0.02 0.02 0.04 0.06 0.06 0.01 -0.11 -0.03 0.01 -0.03 -0.03 -0.06 -0.01 0.15 0.06 -0.05 0.12 0.00 -0.02 -0.09 -0.02 -0.04 -0.20 -0.06 0.08 0.14 0.11 0.14 -0.09 0.05 0.18 -0.19 0.01 0.12 -0.20 0.04 -0.06 -0.06 -0.07 0.11 0.09 -0.12 -0.43 -0.14 0.05 0.27 -0.06 0.01 -0.01 -0.01 0.02 0.07 0.08 0.04 0.07 0.04 0.10 0.04 0.03 -0.08 0.08 0.03 -0.07 -0.00 -0.00 -0.09 -0.16 -0.06 0.01 0.02 0.00 0.09 0.06 0.09 0.21 0.05 0.04 0.02 0.08 0.05 -0.07 0.05 0.02 0.01 -0.07 -0.06 -0.07 0.05 0.01 0.01 -0.03 -0.03 0.02 -0.16 -0.13 -0.09 0.12 0.00 0.01 -0.01 -0.00 0.02 -0.16 -0.13 -0.09 -0.03 -0.01 0.02 -0.05 -0.03 -0.08 -0.14 -0.06 0.09 0.04 0.18 0.27 -0.01 -0.07 0.31 0.10 0.12 0.01 0.03 0.05 0.02 0.15 0.04 -0.09 0.03 0.02 -0.09 0.03 0.02 -0.06 -0.02 0.00 -0.12 0.06 -0.02 0.02 -0.21 -0.18 -0.01 0.09 0.02 -0.10 0.24 0.00 -0.19 0.09 -0.02 0.01 0.05 0.05 0.02 -0.21 -0.17 -0.10 -0.00 0.00 -0.07 -0.23 -0.09 -0.03 -0.00 0.00 -0.03 0.00 -0.01 -0.03 0.00 0.04 -0.03 -0.09 -0.01 0.05 -0.06 -0.08 0.01 -0.05 -0.04 0.08 0.08 0.04 -0.01 -0.02 -0.01 0.03 -0.01 0.09 0.03 -0.09 0.06 0.07 -0.01 0.10 0.04 -0.01 -0.10 -0.02 -0.00 0.00 -0.04 -0.00 -0.02 -0.02 0.01 0.01 -0.03 -0.02 -0.01 0.00 0.22 -0.08 -0.03 0.01 0.02 -0.03 -0.02 -0.02 0.09 0.02 -0.02 -0.03 -0.00 0.00 0.03 0.04 0.03 0.03 0.04 0.10 0.05 -0.14 0.07 0.04 -0.08 0.08 0.17 -0.06 0.09 0.05 0.03 0.21 0.08 -0.04 -0.16 0.03 0.08 -0.11 -0.04 -0.15 0.04 -0.18 -0.04 -0.14 -0.03 -0.03 -0.02 0.29 0.14 0.01 0.01 0.55 -0.17 -0.25 0.12 -0.11 -0.02 0.03 0.02 -0.03 -0.04 -0.03 0.13 0.03 -0.04 0.01 0.06 0.07 -0.05 0.08 0.02 -0.02 -0.05 -0.01 -0.05 -0.03 0.01 0.07 -0.04 -0.01 -0.02 -0.03 -0.03 -0.02 -0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.04 -0.03 0.09 -0.02 0.07 0.31 -0.02 -0.00 -0.01 -0.03 -0.04 -0.01 -0.03 -0.04 -0.01 0.01 -0.04 -0.01 -0.04 -0.03 -0.03 0.02 -0.02 -0.01 0.10 0.04 -0.04 -0.09 -0.01 -0.03 0.02 0.00 -0.01 0.13 0.09 -0.01 -0.01 -0.02 -0.02 0.05 0.03 -0.02 0.02 0.00 0.08 -0.03 0.26 0.42 -0.15 -0.22 0.50 0.09 0.14 -0.12 -0.08 -0.02 -0.00 0.03 -0.15 -0.01 -0.04 -0.05 -0.03 -0.02 -0.04 -0.01 -0.02 -0.05 0.01 -0.03 0.00 -0.01 0.13 0.06 -0.11 -0.08 -0.04 -0.04 -0.17 0.02 0.02 -0.08 0.00 -0.04 -0.00 -0.01 0.00 0.20 0.15 -0.00 -0.02 -0.02 -0.02 0.04 0.02 -0.10 -0.04 -0.07 -0.06 0.02 0.05 -0.08 0.01 0.06 0.04 0.07 0.07 0.13 -0.08 0.02 0.17 -0.01 0.01 0.11 0.05 -0.01 -0.01 0.05 0.06 -0.05 0.03 0.06 0.07 0.08 0.04 -0.09 0.00 -0.05 0.10 0.00 0.07 -0.03 0.04 -0.00 0.04 0.06 -0.03 -0.05 0.00 -0.02 -0.04 -0.05 -0.08 -0.01 -0.06 0.01 -0.06 -0.02 -0.02 -0.04 -0.11 -0.11 0.10 -0.04 0.01 -0.06 -0.05 -0.05 0.16 0.07 -0.01 -0.05 0.01 0.14 0.09 0.08 -0.06 0.13 0.10 0.09 -0.21 -0.03 -0.03 -0.07 -0.02 -0.17 0.13 0.04 0.10 0.16 0.01 0.09 0.03 0.21 -0.09 0.19 0.04 0.02 -0.05 -0.08 -0.10 -0.29 0.05 -0.04 -0.02 -0.36 0.10 0.23 0.05 -0.02 -0.06 -0.01 -0.01 -0.03 -0.18 -0.16 0.07 -0.07 0.01 0.18 0.13 -0.02 0.02 -0.14 -0.08 0.00 -0.08 -0.08 0.01 0.01 0.01 -0.00 -0.00 0.01 -0.01 0.04 -0.02 -0.04 0.01 -0.01 0.00 -0.01 0.01 0.00 0.00 0.01 -0.00 -0.00 0.02 0.04 0.00 0.00 -0.04 -0.01 -0.03 -0.01 0.03 -0.04 0.00 0.03 0.05 0.00 0.01 -0.02 0.01 0.18 0.17 -0.00 -0.06 -0.03 0.00 -0.03 -0.02 0.01 0.35 0.30 -0.00 -0.06 -0.03 0.01 0.02 -0.01 0.00 0.15 0.14 -0.03 -0.02 0.01 -0.00 -0.02 0.05 0.06 -0.02 -0.03 0.07 0.02 0.03 -0.09 -0.03 -0.02 -0.03 -0.00 -0.08 -0.01 -0.00 -0.09 -0.03 0.08 -0.05 -0.00 0.05 -0.03 0.04 0.00 -0.01 -0.01 -0.19 -0.13 -0.09 -0.00 -0.03 0.00 -0.14 0.00 0.09 0.00 -0.02 0.02 0.47 0.40 -0.01 -0.24 -0.18 0.03 0.04 -0.02 -0.04 -0.05 0.02 0.00 -0.13 0.16 -0.09 0.13 -0.14 0.15 0.06 -0.07 -0.11 0.07 -0.05 0.03 -0.02 -0.08 -0.02 -0.03 -0.05 0.08 0.03 0.03 -0.01 0.01 0.00 0.11 0.08 -0.10 0.13 0.10 -0.11 0.01 0.13 -0.09 0.02 0.04 -0.08 -0.02 -0.10 0.13 -0.05 0.04 0.04 -0.01 -0.13 0.11 -0.05 -0.08 0.13 -0.02 -0.06 0.05 -0.00 -0.12 0.05 -0.08 -0.07 0.09 0.09 0.02 -0.04 -0.06 -0.07 0.05 0.01 -0.00 0.02 0.11 0.02 -0.08 0.22 -0.04 -0.21 0.22 0.25 -0.07 -0.07 0.18 -0.08 0.02 0.20 -0.16 0.05 0.01 -0.14 0.03 0.13 -0.09 -0.05 -0.02 0.07 -0.12 0.11 0.11 -0.08 -0.08 0.16 -0.04 -0.07 0.02 -0.02 -0.11 0.04 0.02 -0.07 0.11 0.04 -0.12 0.01 -0.11 -0.04 0.10 0.14 0.04 -0.05 -0.02 -0.01 0.07 0.08 -0.00 0.05 0.02 0.00 0.03 -0.03 0.03 0.07 -0.00 -0.04 0.03 -0.02 0.06 -0.10 -0.09 0.02 -0.06 0.04 -0.01 0.03 -0.01 0.01 0.02 -0.09 -0.02 0.10 -0.02 -0.04 0.07 -0.12 -0.04 -0.02 -0.02 0.07 -0.12 0.00 -0.00 0.02 0.04 0.06 -0.08 0.01 -0.02 -0.00 0.00 -0.01 0.02 0.02 -0.00 -0.07 0.01 -0.05 -0.04 0.00 -0.02 -0.00 0.06 0.05 -0.05 0.01 -0.03 -0.02 -0.06 -0.03 0.02 -0.09 -0.07 0.13 -0.02 -0.03 0.04 0.00 -0.07 0.11 -0.22 -0.13 -0.00 -0.11 -0.09 -0.13 0.00 -0.01 -0.25 -0.04 0.21 -0.15 0.04 0.26 -0.14 0.23 -0.01 -0.08 -0.00 0.01 0.03 -0.28 0.14 -0.08 0.02 -0.36 0.01 0.31 0.14 -0.12 0.02 -0.06 -0.05 -0.00 -0.00 0.00 0.13 0.09 -0.07 -0.10 -0.08 0.07 0.35 -0.07 0.05 -0.07 -0.15 0.18 -0.12 0.02 -0.09 -0.10 0.05 -0.08 0.00 -0.21 -0.03 0.03 -0.10 -0.01 -0.02 0.08 0.01 -0.11 0.02 -0.07 0.00 0.09 -0.06 0.08 0.07 -0.10 -0.00 0.13 -0.01 -0.01 -0.07 0.02 -0.09 0.02 -0.04 -0.01 0.11 0.07 -0.05 0.03 -0.05 -0.08 0.03 -0.04 -0.04 0.09 0.08 -0.08 0.08 -0.09 -0.08 0.06 -0.07 -0.03 -0.11 -0.01 -0.08 0.07 -0.07 0.02 0.08 0.01 0.00 0.14 0.01 0.16 -0.04 -0.21 0.19 0.17 -0.03 -0.03 0.20 -0.01 0.00 0.14 -0.04 0.05 0.05 0.15 0.06 -0.17 0.05 -0.01 0.11 0.05 -0.01 0.13 0.10 -0.10 0.02 -0.04 -0.04 0.08 0.07 -0.04 0.12 0.11 -0.07 0.08 0.08 -0.06 0.10 -0.09 -0.10 0.07 -0.08 -0.06 -0.16 -0.02 0.03 0.21 0.03 0.05 -0.01 0.01 -0.09 -0.03 0.06 -0.02 -0.02 0.03 0.04 0.02 0.04 0.03 0.17 -0.00 0.00 0.09 -0.00 0.06 -0.06 -0.01 0.02 0.03 0.03 0.04 -0.00 -0.01 -0.01 0.02 0.02 0.09 -0.04 -0.04 0.02 0.08 -0.02 -0.02 0.05 0.02 -0.02 -0.12 -0.04 -0.03 0.02 0.00 -0.05 0.03 -0.01 0.02 -0.17 -0.04 -0.05 0.01 -0.04 -0.06 0.00 -0.06 0.07 0.09 -0.01 -0.07 0.00 -0.05 0.02 -0.05 -0.00 0.04 0.06 -0.02 -0.03 0.05 0.07 -0.06 -0.01 -0.02 0.14 -0.07 -0.05 0.08 -0.02 0.02 -0.01 0.02 -0.07 0.01 0.14 -0.03 -0.02 -0.27 0.01 -0.17 -0.06 -0.01 -0.08 0.02 0.00 0.36 -0.38 -0.09 0.02 0.20 -0.15 -0.29 -0.35 0.11 -0.02 0.01 -0.06 -0.06 -0.01 -0.07 0.11 0.13 -0.01 -0.00 -0.15 -0.00 -0.01 0.01 -0.04 0.12 0.03 -0.00 -0.09 0.01 0.06 -0.13 0.04 0.05 -0.03 -0.12 -0.06 -0.06 -0.07 -0.04 -0.03 0.05 0.02 -0.07 0.03 0.07 0.00 0.07 0.04 0.02 0.06 0.04 0.02 0.02 -0.06 -0.02 0.02 -0.01 -0.01 0.07 0.08 0.00 -0.01 -0.04 0.03 0.05 0.02 0.03 0.01 0.05 0.01 -0.14 -0.02 0.05 -0.02 -0.01 0.04 -0.08 -0.03 -0.02 -0.06 -0.04 0.08 -0.06 -0.03 -0.05 0.04 0.02 0.00 0.12 0.09 0.07 -0.03 -0.00 0.06 0.12 0.06 -0.03 -0.02 -0.05 0.02 0.03 -0.10 0.02 0.01 -0.05 0.02 0.10 -0.01 0.00 -0.04 -0.04 -0.03 0.04 0.02 0.05 0.04 0.05 0.36 -0.40 -0.13 0.01 0.26 -0.10 -0.35 -0.36 0.19 0.02 -0.05 -0.01 0.02 -0.13 -0.07 -0.01 -0.09 -0.05 -0.06 0.10 0.06 -0.00 -0.02 0.03 -0.01 0.00 -0.02 -0.04 -0.01 -0.00 0.12 0.02 0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.01 -0.00 -0.03 -0.07 -0.01 -0.00 -0.02 0.01 -0.01 -0.07 -0.01 -0.03 -0.00 -0.01 -0.01 0.01 -0.05 -0.05 0.10 0.08 -0.00 -0.01 -0.04 -0.01 0.01 -0.03 -0.03 -0.02 0.02 0.04 -0.01 -0.00 0.03 0.01 0.03 0.04 0.01 -0.01 -0.01 -0.00 0.02 0.05 0.00 0.00 0.00 -0.07 -0.04 0.01 -0.06 0.11 -0.02 -0.03 -0.06 -0.00 -0.18 0.01 -0.01 -0.06 -0.10 -0.14 -0.00 0.00 0.00 0.00 -0.02 -0.00 0.10 0.26 -0.09 0.28 0.04 0.05 0.01 -0.04 -0.04 0.30 -0.24 -0.07 -0.04 0.48 0.07 -0.46 -0.21 0.16 -0.01 0.00 0.03 0.03 0.05 0.07 0.02 -0.01 -0.01 -0.00 0.01 0.01 -0.01 0.01 0.01 -0.02 -0.02 -0.00 0.01 -0.02 0.06 0.23 0.13 0.12 -0.03 -0.13 -0.13 -0.10 -0.09 -0.08 0.00 0.05 0.04 0.02 0.01 0.06 0.03 0.03 -0.03 -0.07 0.13 0.03 0.09 0.01 0.00 -0.02 0.00 -0.01 0.01 -0.07 -0.05 -0.07 -0.07 0.02 0.01 -0.03 -0.02 -0.01 -0.04 -0.04 0.02 -0.02 -0.01 0.00 0.02 0.01 -0.01 0.05 0.03 0.02 -0.08 -0.08 -0.01 0.05 0.03 -0.07 0.04 0.03 0.03 0.09 -0.11 -0.20 0.33 0.17 -0.24 0.02 -0.08 0.20 0.03 -0.01 0.07 0.06 0.14 -0.02 -0.03 -0.06 0.06 0.10 -0.00 -0.06 -0.25 0.09 -0.24 -0.03 -0.01 -0.02 -0.06 -0.05 -0.14 0.13 0.07 0.03 -0.26 -0.04 0.25 0.10 -0.09 0.01 0.03 0.01 -0.01 0.09 0.06 0.07 -0.12 -0.12 -0.10 0.11 0.11 0.00 0.03 -0.02 -0.07 -0.03 0.01 0.29 0.19 0.05 -0.03 -0.06 -0.02 -0.00 -0.11 0.06 0.04 -0.07 0.03 -0.06 0.03 -0.01 0.03 0.02 -0.01 0.07 0.05 0.10 -0.06 -0.07 0.13 -0.05 0.07 -0.01 -0.01 0.02 -0.02 0.02 -0.06 -0.04 -0.03 0.09 -0.10 0.01 -0.03 -0.04 -0.01 -0.02 -0.04 0.04 -0.13 -0.10 -0.00 0.03 -0.01 -0.03 0.07 0.00 -0.07 -0.07 0.04 -0.04 0.06 0.01 0.02 0.03 -0.01 0.07 -0.07 0.03 -0.10 -0.09 0.31 -0.18 -0.19 0.05 -0.09 -0.08 -0.00 -0.04 0.14 -0.05 0.09 0.04 -0.06 -0.09 0.04 -0.04 -0.04 0.15 -0.11 0.04 0.10 -0.06 -0.03 -0.04 -0.04 0.17 -0.32 -0.24 0.05 -0.08 -0.20 -0.01 -0.25 0.17 0.02 0.04 -0.02 -0.03 0.10 0.03 -0.13 -0.10 0.06 0.05 0.09 -0.04 -0.01 0.07 -0.09 -0.05 -0.03 0.05 0.24 -0.07 0.02 -0.05 0.01 0.09 -0.02 -0.01 -0.08 -0.08 -0.02 -0.05 0.01 0.01 0.03 0.06 -0.07 0.13 0.03 -0.10 -0.07 0.02 0.03 -0.04 -0.07 -0.06 -0.06 0.01 -0.05 0.04 0.04 0.02 0.11 0.10 -0.01 0.06 0.08 0.04 0.04 -0.06 0.04 0.07 -0.04 0.10 0.08 0.06 0.03 -0.04 -0.07 -0.00 -0.08 0.02 -0.00 -0.05 -0.03 0.00 -0.10 -0.06 -0.01 0.02 0.03 -0.24 -0.12 0.05 0.01 -0.12 0.06 0.16 -0.05 -0.26 0.03 -0.03 -0.04 -0.12 -0.26 -0.09 -0.11 0.02 0.10 -0.00 0.06 0.10 0.14 -0.01 0.24 -0.05 0.06 -0.11 0.04 0.13 0.00 0.10 0.11 -0.06 0.30 0.20 -0.23 0.07 -0.05 0.11 0.05 -0.07 -0.12 -0.03 -0.13 0.07 -0.00 -0.08 -0.09 -0.01 0.07 0.02 -0.03 0.03 -0.10 0.05 0.00 0.02 0.03 -0.06 0.21 -0.01 -0.04 -0.02 -0.09 0.04 -0.02 -0.07 0.03 -0.10 0.03 -0.01 0.08 0.05 -0.09 -0.02 -0.03 -0.01 0.02 -0.04 -0.02 -0.00 -0.04 0.03 0.01 0.02 -0.08 0.05 0.19 0.05 0.01 -0.02 -0.00 -0.03 0.11 0.09 0.09 0.26 0.12 0.00 0.01 -0.01 -0.04 -0.02 0.07 0.08 -0.15 -0.09 -0.10 -0.07 0.02 -0.02 -0.22 -0.09 -0.04 0.03 -0.01 -0.02 -0.05 -0.01 -0.05 0.09 0.02 -0.03 -0.16 -0.02 0.04 -0.03 0.02 -0.01 -0.06 0.07 0.12 0.00 -0.20 -0.14 0.10 -0.13 0.01 0.00 -0.02 0.04 -0.04 -0.02 0.13 0.42 0.23 -0.01 0.02 0.00 0.00 -0.00 -0.00 0.01 0.02 -0.03 -0.06 0.04 0.13 0.18 -0.27 -0.14 -0.17 -0.12 0.04 -0.01 0.10 -0.03 0.01 0.00 -0.01 -0.03 0.01 -0.01 0.01 0.02 -0.02 0.00 -0.02 -0.03 -0.01 0.03 -0.08 -0.07 0.02 -0.06 0.04 -0.01 0.03 0.01 0.01 -0.03 0.01 0.02 0.03 -0.00 -0.04 0.02 -0.01 0.03 0.03 0.01 -0.07 0.15 0.00 0.03 -0.02 -0.03 0.05 -0.02 -0.01 0.01 -0.01 0.03 0.04 0.00 0.01 -0.02 -0.02 -0.01 -0.01 0.03 0.03 -0.03 0.01 0.06 0.02 -0.06 -0.00 -0.05 0.02 -0.04 -0.02 0.03 0.01 0.01 0.03 -0.01 -0.04 0.06 -0.02 -0.08 0.02 0.03 -0.00 0.02 -0.01 0.06 0.06 -0.22 0.10 0.58 0.30 -0.49 0.28 -0.03 0.06 -0.02 -0.00 0.04 -0.01 0.06 0.07 0.01 0.03 -0.07 -0.07 0.02 -0.06 -0.07 0.04 -0.04 0.07 -0.04 -0.01 0.05 0.07 -0.05 0.02 0.13 0.03 -0.09 -0.08 -0.05 0.09 -0.16 -0.18 0.21 0.18 -0.02 0.04 0.06 0.02 -0.02 0.07 -0.02 -0.02 -0.01 -0.00 -0.03 -0.03 -0.00 -0.02 0.00 0.00 0.01 0.03 0.00 -0.03 0.02 -0.01 0.00 0.00 -0.04 0.01 -0.01 0.02 0.01 0.01 -0.04 0.05 0.00 0.03 0.02 -0.01 0.03 -0.01 -0.03 -0.01 0.06 -0.06 0.12 0.02 0.01 -0.01 -0.01 -0.03 0.18 -0.18 -0.06 0.15 -0.27 0.01 -0.00 -0.02 -0.01 0.14 -0.29 -0.02 -0.00 0.01 0.02 -0.04 -0.01 -0.03 0.01 0.06 -0.04 -0.10 -0.02 0.00 0.00 0.01 -0.01 0.04 0.02 -0.08 0.04 0.22 0.11 -0.22 0.09 -0.01 0.06 -0.02 0.02 0.02 -0.01 -0.18 0.13 0.14 0.01 -0.03 -0.04 0.01 -0.02 -0.03 0.02 -0.02 0.03 0.09 0.29 -0.21 -0.20 0.17 -0.34 0.03 -0.01 -0.03 -0.04 -0.00 0.03 -0.01 0.03 -0.03 -0.00 -0.01 0.02 -0.11 -0.15 0.02 0.08 -0.09 0.03 0.00 0.03 0.02 0.01 0.03 0.01 0.00 -0.02 -0.01 0.02 -0.10 0.02 0.13 0.06 -0.04 -0.04 -0.07 0.02 0.01 0.20 -0.09 0.00 -0.08 -0.05 0.01 -0.05 0.03 -0.07 0.19 -0.01 0.05 -0.02 0.01 -0.04 0.02 0.08 0.00 0.01 0.01 0.05 0.02 0.03 -0.04 -0.03 -0.02 0.00 0.03 0.01 -0.00 -0.03 -0.05 0.01 -0.01 -0.01 0.13 0.16 -0.06 -0.13 -0.03 0.27 -0.23 -0.17 -0.12 -0.13 0.18 -0.07 0.02 0.37 -0.21 0.01 -0.16 -0.17 -0.08 0.03 -0.09 -0.07 0.16 0.03 -0.11 0.24 0.05 -0.07 0.07 0.15 -0.01 -0.08 -0.09 0.01 -0.10 -0.05 0.09 -0.02 0.19 0.07 0.10 0.06 -0.08 -0.03 -0.03 -0.00 0.04 0.02 0.01 -0.03 -0.02 0.00 0.03 -0.02 0.01 -0.01 0.01 0.01 0.00 -0.01 0.01 0.03 0.01 0.00 0.01 0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.02 0.01 -0.12 -0.03 -0.02 0.03 0.03 -0.08 -0.01 0.00 0.14 -0.01 -0.00 -0.01 -0.01 -0.10 -0.01 -0.04 0.07 -0.03 0.03 -0.10 -0.06 -0.05 0.03 0.10 0.03 -0.05 -0.04 0.03 0.06 0.05 -0.05 -0.05 -0.02 0.01 0.01 0.00 -0.00 -0.02 -0.03 0.01 -0.00 -0.00 -0.11 -0.08 -0.05 0.08 0.04 -0.29 0.18 0.10 0.05 0.39 0.01 0.08 -0.06 -0.04 0.51 -0.00 -0.03 -0.05 -0.03 0.04 -0.02 -0.04 0.16 -0.08 0.09 0.02 -0.03 -0.06 0.15 0.22 0.10 -0.13 -0.10 0.04 -0.08 -0.15 0.07 -0.09 0.13 0.04 0.21 0.16 -0.09 -0.04 -0.03 0.02 0.01 0.00 0.02 -0.01 -0.00 -0.02 -0.01 -0.01 -0.03 -0.01 0.01 -0.02 -0.04 -0.02 0.04 -0.01 0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.00 -0.02 0.00 0.00 0.04 -0.01 0.02 -0.06 -0.03 -0.03 0.03 -0.02 -0.06 -0.01 0.04 0.09 0.02 -0.01 -0.01 0.05 0.10 0.11 -0.05 0.10 -0.03 0.05 0.15 0.16 0.01 -0.11 -0.08 0.02 -0.03 -0.03 0.05 -0.10 -0.10 0.00 0.08 0.03 -0.02 -0.01 -0.00 -0.00 0.05 0.00 -0.02 0.00 0.00 -0.05 -0.05 -0.05 0.05 -0.00 -0.18 0.11 0.02 0.01 0.27 0.05 0.05 -0.05 0.04 0.36 0.02 -0.04 -0.04 0.00 0.02 -0.02 -0.05 0.18 -0.06 0.06 0.07 -0.02 -0.02 -0.34 -0.25 0.07 -0.12 -0.10 0.04 -0.08 -0.13 0.07 -0.07 0.15 0.08 -0.34 -0.33 -0.00 0.09 0.03 -0.03 -0.02 -0.00 -0.02 0.01 0.00 0.06 0.04 -0.07 0.21 0.03 -0.01 0.14 0.07 -0.07 0.20 -0.02 0.02 -0.00 0.01 0.00 0.03 0.02 0.00 0.03 -0.01 -0.01 -0.07 -0.02 -0.06 0.04 -0.04 -0.02 0.01 -0.04 0.00 -0.01 -0.01 0.01 -0.05 -0.03 -0.01 -0.25 0.02 0.05 0.01 -0.00 -0.00 -0.23 0.20 0.11 -0.25 -0.06 0.07 0.00 0.00 -0.00 -0.21 -0.06 -0.02 -0.23 -0.09 0.17 0.03 0.01 0.01 -0.06 -0.14 0.01 0.04 -0.01 -0.01 0.04 -0.10 -0.04 -0.07 0.09 0.10 -0.09 -0.14 -0.07 -0.03 -0.01 0.01 -0.01 -0.00 -0.01 -0.04 0.02 0.05 -0.03 -0.10 -0.00 0.01 0.03 -0.01 0.04 -0.02 -0.01 -0.17 -0.09 -0.02 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.35 -0.24 -0.04 -0.31 -0.01 0.18 0.04 0.03 0.01 0.04 -0.02 -0.01 0.02 -0.03 0.05 0.03 0.02 -0.03 0.11 -0.13 0.06 -0.08 -0.04 0.16 -0.00 0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.08 0.14 0.04 -0.08 -0.08 0.00 0.01 -0.03 -0.01 0.04 0.03 0.01 -0.05 -0.00 -0.05 0.13 -0.11 -0.04 0.10 -0.01 -0.18 0.01 -0.14 0.08 0.12 -0.14 0.01 -0.00 0.00 -0.18 -0.00 -0.00 0.11 -0.01 -0.02 0.00 0.01 -0.01 -0.01 0.01 0.11 -0.01 -0.01 -0.00 0.05 -0.14 -0.14 0.05 -0.05 -0.12 0.05 0.19 -0.05 0.15 0.08 0.00 -0.03 0.11 0.17 0.03 -0.20 -0.23 -0.05 0.21 -0.05 -0.04 0.20 -0.05 0.08 0.07 0.02 0.19 0.15 -0.22 0.05 -0.07 -0.06 0.02 -0.03 -0.07 0.04 -0.04 0.14 -0.29 -0.05 0.05 0.25 -0.11 -0.02 0.01 0.03 -0.00 -0.01 -0.02 0.00 0.00 0.03 0.00 0.02 -0.02 -0.01 -0.02 0.01 -0.05 0.07 -0.03 -0.02 0.01 0.00 0.00 -0.02 -0.02 -0.00 -0.03 0.01 0.00 0.03 0.05 -0.02 0.01 -0.01 -0.01 0.02 -0.06 -0.01 -0.00 0.00 -0.00 0.05 0.04 0.01 -0.01 0.14 0.15 0.00 0.00 0.00 -0.00 -0.18 -0.13 -0.06 0.04 0.08 -0.00 0.00 -0.00 -0.00 -0.07 -0.05 -0.06 -0.14 -0.08 -0.02 -0.02 -0.01 -0.02 0.28 0.24 -0.03 0.01 0.00 0.01 -0.00 0.00 -0.01 -0.02 0.02 -0.01 -0.09 -0.02 -0.02 0.00 0.00 0.00 0.01 -0.03 0.03 0.08 0.06 0.06 -0.02 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.07 -0.13 -0.04 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.25 -0.20 -0.09 -0.57 -0.46 -0.04 -0.05 -0.01 -0.02 0.02 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.03 -0.01 -0.02 0.00 -0.10 0.04 -0.00 0.21 0.06 0.00 -0.18 -0.06 0.00 0.13 0.04 0.03 0.07 0.05 -0.00 -0.03 -0.07 0.01 -0.12 -0.05 0.01 0.02 -0.03 -0.01 0.24 0.09 0.01 0.00 -0.01 -0.00 0.02 0.00 0.00 -0.03 -0.02 -0.03 -0.02 -0.04 -0.00 0.01 0.01 0.00 0.02 0.04 -0.03 0.03 0.03 0.00 -0.20 -0.06 -0.02 -0.06 -0.03 0.00 0.02 0.01 -0.01 0.01 -0.09 0.05 -0.15 -0.14 0.08 -0.03 -0.01 0.02 0.05 -0.03 0.01 0.02 -0.03 -0.03 0.24 0.12 0.01 0.22 0.11 -0.00 -0.01 0.02 -0.04 0.04 0.01 -0.04 0.01 -0.01 -0.02 0.00 -0.01 -0.00 -0.01 0.02 0.01 0.01 0.02 0.00 0.11 0.12 -0.02 0.13 0.13 0.00 -0.64 -0.21 0.00 0.02 0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.02 -0.11 -0.13 -0.05 0.14 -0.06 -0.01 0.09 0.03 0.01 -0.05 -0.02 0.02 0.05 0.01 -0.01 -0.00 -0.05 0.16 -0.08 0.06 0.03 0.09 0.11 -0.07 -0.07 0.11 -0.03 -0.01 -0.01 -0.01 -0.01 0.01 -0.04 0.01 0.01 -0.01 -0.00 0.01 0.02 -0.02 0.03 0.00 -0.01 -0.02 -0.02 0.01 -0.02 0.02 -0.00 -0.01 0.01 -0.07 -0.02 0.01 0.01 -0.00 0.02 -0.00 -0.00 0.16 -0.17 0.18 -0.07 0.12 0.48 -0.28 0.04 -0.15 -0.07 -0.10 0.11 -0.07 0.09 0.10 -0.04 -0.07 -0.08 -0.09 0.05 -0.03 -0.04 0.29 -0.15 0.30 -0.12 0.00 0.02 -0.03 0.03 0.09 -0.03 0.02 0.02 0.00 -0.15 0.04 -0.01 0.05 -0.02 -0.01 -0.03 -0.01 -0.01 -0.03 0.02 -0.24 -0.08 0.02 -0.03 -0.01 0.01 0.02 -0.02 -0.05 0.00 -0.01 0.02 0.06 0.05 0.04 -0.03 0.04 -0.05 0.10 0.03 0.06 -0.01 -0.02 0.07 0.09 0.02 -0.09 -0.07 -0.02 -0.07 0.05 -0.00 -0.02 0.01 -0.03 0.03 0.03 -0.04 -0.18 -0.10 -0.04 -0.07 -0.10 0.05 0.02 -0.01 -0.00 -0.10 0.03 0.08 0.20 -0.10 0.21 0.00 -0.00 0.00 -0.12 0.07 -0.16 0.17 -0.02 -0.07 0.05 -0.08 -0.00 0.09 0.11 0.00 0.08 -0.04 -0.02 -0.07 0.08 -0.05 0.00 0.03 -0.16 0.08 0.00 0.06 0.02 0.03 -0.04 0.03 -0.05 -0.03 -0.22 -0.11 -0.01 -0.21 -0.16 -0.04 0.02 -0.13 0.06 -0.13 0.04 -0.01 0.20 -0.09 0.21 -0.04 0.01 -0.01 -0.01 0.00 0.06 -0.02 0.00 -0.03 -0.13 -0.09 -0.28 0.02 -0.09 -0.22 0.10 -0.31 -0.10 0.07 -0.17 -0.05 0.01 0.02 -0.03 -0.02 0.00 -0.00 -0.03 -0.03 -0.10 0.02 -0.04 0.05 0.02 -0.10 -0.03 -0.03 -0.04 -0.01 -0.02 -0.16 -0.05 -0.02 0.08 0.02 0.06 -0.06 -0.05 0.02 -0.08 0.00 -0.02 -0.01 0.01 0.05 0.19 0.07 -0.04 -0.03 0.09 -0.02 0.01 0.00 -0.09 -0.08 0.00 0.12 -0.15 0.11 -0.00 0.00 -0.00 -0.11 0.10 -0.06 0.09 0.05 0.00 -0.01 0.11 0.03 0.05 -0.01 -0.07 -0.03 0.12 0.04 0.06 -0.06 -0.01 0.01 -0.08 0.07 -0.04 -0.02 -0.07 -0.01 0.01 0.01 -0.01 0.05 0.00 0.13 0.24 0.09 0.13 0.22 0.09 -0.02 0.10 -0.04 0.08 -0.02 0.01 0.10 -0.16 0.12 0.02 -0.01 0.00 0.01 -0.01 -0.04 0.02 0.00 0.03 -0.11 0.20 0.02 -0.04 0.16 0.02 -0.03 0.44 0.14 -0.02 0.39 0.12 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.01 -0.04 0.01 -0.02 0.02 0.03 -0.15 -0.04 -0.03 0.23 0.09 -0.04 0.20 0.07 0.01 0.05 0.01 0.03 -0.02 -0.02 0.01 -0.03 0.00 -0.01 -0.00 0.01 0.09 0.08 0.02 -0.01 0.01 0.05 -0.01 0.00 0.00 -0.03 -0.06 -0.02 0.03 -0.07 0.02 -0.00 0.00 -0.00 -0.04 0.04 -0.01 0.02 0.03 0.02 -0.03 -0.06 -0.03 0.01 -0.03 -0.04 -0.04 -0.23 -0.07 0.02 -0.02 -0.00 0.00 -0.03 0.03 -0.02 -0.01 -0.03 -0.01 0.00 0.01 -0.01 0.02 0.00 0.13 0.11 0.03 0.16 0.10 0.03 -0.01 0.04 -0.02 0.04 -0.01 0.00 0.02 -0.09 0.02 0.01 -0.00 0.00 0.00 -0.00 -0.02 0.01 0.00 0.01 -0.04 0.13 0.07 -0.02 0.10 0.05 -0.07 -0.14 -0.03 -0.04 -0.74 -0.24 0.02 0.03 -0.03 0.03 0.01 -0.01 0.00 -0.02 0.12 -0.02 0.06 -0.12 0.08 0.14 0.05 -0.06 -0.08 0.01 -0.09 -0.00 0.00 0.17 -0.02 -0.02 -0.07 0.07 0.07 -0.02 0.08 -0.00 0.02 0.01 -0.01 0.27 -0.20 -0.09 0.04 0.08 0.14 0.02 0.00 -0.01 -0.12 -0.16 -0.02 0.04 -0.12 0.02 0.00 -0.00 0.00 -0.16 0.07 0.01 0.01 0.09 0.02 -0.05 -0.02 -0.04 -0.06 -0.07 -0.06 -0.09 0.03 0.02 -0.07 0.06 0.02 -0.00 0.08 -0.07 0.06 -0.04 0.10 0.01 -0.02 -0.01 0.02 -0.06 -0.01 0.16 -0.26 -0.09 0.18 -0.22 -0.11 0.02 -0.12 0.07 -0.12 0.04 -0.02 -0.03 -0.27 -0.04 -0.04 -0.01 -0.03 -0.01 -0.00 0.07 -0.02 -0.01 -0.01 -0.15 0.27 0.18 -0.03 0.16 0.05 -0.14 -0.21 -0.06 -0.08 0.11 0.02 -0.01 -0.01 0.02 -0.03 -0.00 0.01 0.01 0.06 -0.07 0.05 -0.02 0.07 -0.06 0.01 -0.00 0.04 0.00 -0.02 0.05 -0.01 -0.00 -0.09 -0.01 -0.02 0.00 0.00 -0.01 0.01 -0.00 0.01 -0.00 0.00 0.01 -0.16 -0.10 -0.04 -0.06 0.26 0.18 0.01 -0.01 0.00 0.06 -0.11 -0.20 -0.01 -0.05 -0.06 -0.00 -0.00 -0.01 0.09 0.07 0.03 0.00 0.07 0.12 0.03 -0.00 0.03 0.08 -0.10 -0.10 0.06 0.00 -0.01 0.00 -0.00 0.01 -0.01 0.03 0.02 -0.02 0.02 -0.02 -0.02 0.01 0.01 -0.00 -0.01 -0.01 -0.19 -0.10 -0.02 -0.19 -0.16 -0.05 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.06 -0.41 -0.43 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.02 0.07 0.36 0.30 -0.01 -0.03 0.02 0.09 -0.01 0.00 0.05 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.03 0.06 0.01 -0.03 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.04 -0.03 -0.01 -0.00 -0.04 -0.01 0.02 -0.02 0.01 -0.01 -0.02 -0.00 0.00 0.00 -0.05 -0.09 0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 0.11 -0.04 -0.00 -0.02 -0.03 -0.01 0.01 -0.04 0.05 0.06 -0.03 -0.02 0.14 0.06 -0.01 0.02 0.04 0.02 -0.07 -0.01 -0.04 0.32 -0.36 0.46 -0.11 0.26 -0.00 -0.00 0.00 0.22 0.16 0.36 0.02 0.09 -0.35 0.10 0.09 -0.19 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.04 -0.04 0.05 -0.07 -0.01 0.01 0.01 0.05 -0.08 0.01 -0.02 0.09 0.10 0.10 0.04 -0.05 -0.04 0.03 -0.08 0.00 -0.00 -0.07 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.02 0.03 -0.00 0.00 0.00 0.28 -0.08 -0.06 -0.18 -0.02 -0.09 0.01 -0.00 -0.00 0.07 0.21 -0.18 -0.04 -0.06 0.06 0.00 -0.00 -0.01 0.12 0.11 -0.15 -0.03 -0.19 0.16 -0.04 0.01 -0.04 0.29 0.06 -0.01 -0.09 0.00 0.02 -0.00 -0.01 0.01 0.01 0.02 0.02 -0.01 0.08 0.01 -0.01 0.01 0.01 -0.00 -0.01 -0.00 0.28 -0.04 0.00 0.29 -0.06 -0.06 0.01 -0.03 0.02 -0.02 -0.00 -0.01 0.20 0.26 0.11 -0.01 -0.00 -0.02 -0.00 0.00 0.02 -0.01 -0.01 -0.01 -0.06 -0.03 -0.11 -0.23 0.04 0.24 -0.15 -0.18 -0.05 -0.07 0.04 -0.01 0.01 0.02 -0.02 0.03 0.00 -0.01 -0.03 0.11 -0.26 -0.02 -0.07 0.26 0.02 0.05 0.02 -0.00 -0.01 0.02 -0.02 -0.00 -0.00 -0.07 0.01 -0.02 -0.03 0.04 -0.02 -0.01 0.02 0.09 -0.01 0.04 0.03 0.07 -0.13 -0.08 0.05 -0.01 0.02 0.03 -0.04 0.02 0.00 -0.08 0.10 0.02 -0.02 -0.07 -0.01 -0.02 -0.04 0.01 -0.07 0.09 0.03 0.02 -0.15 -0.01 0.02 -0.00 -0.13 0.03 0.04 -0.02 -0.00 0.00 -0.03 0.06 0.02 0.04 -0.03 -0.01 0.04 0.24 0.08 -0.08 0.08 0.04 0.00 0.01 -0.04 0.03 -0.11 -0.01 0.06 -0.20 -0.08 0.03 -0.04 -0.02 0.04 -0.03 0.04 -0.07 0.33 0.31 -0.00 0.03 0.02 -0.01 0.03 -0.03 -0.03 -0.00 -0.14 0.11 -0.06 0.00 0.13 0.45 0.25 -0.04 -0.14 -0.04 -0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.02 0.05 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 0.02 0.08 0.02 0.02 -0.04 -0.00 -0.17 -0.00 0.02 0.21 0.00 -0.00 0.00 -0.00 0.01 0.00 0.05 -0.03 0.05 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.02 -0.12 -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 0.08 0.17 -0.06 -0.05 0.01 -0.17 -0.07 0.11 -0.24 -0.60 0.04 0.31 0.07 0.10 -0.38 -0.00 0.00 0.01 0.01 -0.00 0.00 0.05 -0.10 0.02 0.04 -0.13 -0.11 0.00 0.03 0.02 -0.06 -0.09 -0.23 -0.02 -0.07 -0.07 -0.04 -0.06 -0.05 -0.01 -0.00 -0.00 0.00 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 0.01 -0.02 0.05 0.01 0.02 -0.06 -0.02 -0.02 -0.01 0.01 0.01 -0.01 0.02 0.00 0.00 0.03 0.01 0.01 0.00 -0.01 0.00 0.01 -0.01 -0.01 0.00 -0.01 -0.02 -0.06 -0.00 0.01 -0.00 0.08 0.06 -0.01 0.01 -0.01 -0.00 -0.00 -0.03 -0.01 -0.08 -0.06 0.00 0.01 0.01 -0.00 0.02 -0.01 -0.01 -0.10 -0.06 0.01 -0.01 0.01 0.02 0.04 0.04 0.02 0.00 -0.00 0.00 -0.02 0.00 -0.01 0.01 0.02 -0.01 -0.08 -0.01 0.04 -0.02 -0.02 -0.00 -0.00 0.03 -0.06 -0.03 -0.02 -0.07 0.02 0.01 -0.01 0.01 0.00 -0.01 0.01 -0.01 0.01 0.43 0.36 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.00 0.03 -0.02 -0.00 -0.01 -0.03 0.59 0.51 0.03 0.05 0.02 0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 -0.11 0.01 0.04 -0.07 -0.01 -0.00 0.01 -0.02 0.02 -0.05 0.02 0.01 0.00 0.04 -0.04 0.09 -0.08 0.08 0.03 -0.00 -0.07 0.07 0.01 0.08 0.02 -0.01 -0.05 0.17 0.00 -0.01 -0.01 0.03 -0.05 0.04 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.02 -0.04 -0.06 -0.01 0.02 -0.01 -0.00 -0.01 0.02 0.02 -0.02 -0.03 0.02 -0.00 -0.00 -0.01 -0.01 -0.00 -0.08 0.10 -0.04 0.03 -0.06 -0.05 0.16 -0.22 0.26 -0.11 0.16 0.04 0.02 0.04 -0.07 0.10 -0.36 -0.35 -0.18 0.49 0.06 0.04 -0.04 -0.05 0.06 0.00 0.13 0.01 -0.01 -0.02 0.02 0.07 0.08 -0.01 0.04 -0.12 -0.02 0.03 -0.24 -0.04 -0.01 -0.02 -0.01 -0.04 -0.01 0.06 0.16 0.01 -0.04 0.00 0.05 -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 0.05 0.01 0.01 0.00 0.01 -0.01 0.05 0.02 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.17 -0.06 0.00 0.00 0.00 0.01 -0.03 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.04 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.03 0.02 0.04 0.02 -0.08 -0.02 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.03 0.92 0.27 0.02 0.17 0.04 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.05 0.04 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.14 -0.11 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 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 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.04 -0.04 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.75 0.62 0.00 0.04 0.03 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.04 0.00 0.02 0.01 0.00 0.00 0.01 -0.01 0.00 -0.00 0.01 0.01 -0.01 -0.00 0.00 -0.01 -0.02 -0.00 0.04 -0.03 -0.01 -0.01 0.11 -0.09 0.00 0.00 -0.01 0.02 -0.00 -0.00 -0.00 -0.07 0.06 -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 -0.05 0.05 0.09 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.02 0.10 -0.07 0.00 0.00 -0.17 0.09 0.02 0.10 -0.24 -0.20 0.05 0.16 -0.17 -0.34 0.02 -0.04 -0.04 -0.02 0.05 0.00 -0.03 -0.10 -0.33 -0.01 0.06 -0.01 0.00 0.00 0.00 0.21 -0.07 0.10 0.02 -0.14 -0.34 0.26 0.05 0.47 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.02 0.03 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.02 0.02 -0.00 -0.01 0.00 0.02 -0.03 0.13 -0.15 0.01 0.05 0.24 0.09 -0.19 -0.01 0.00 -0.00 0.02 -0.01 -0.01 0.01 0.00 -0.02 -0.02 0.00 -0.01 0.00 -0.01 0.02 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.17 -0.07 0.19 -0.00 -0.00 -0.00 -0.26 -0.04 -0.24 0.01 -0.02 0.03 -0.01 -0.00 0.05 -0.05 0.02 -0.07 0.07 0.00 -0.02 -0.03 0.02 0.08 0.06 0.03 0.03 -0.05 -0.04 0.01 -0.00 0.03 0.06 -0.00 -0.02 -0.02 -0.00 -0.00 0.00 -0.04 0.00 -0.02 -0.00 0.02 0.08 -0.04 -0.01 -0.05 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.09 -0.09 0.32 -0.37 0.59 0.10 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.02 0.03 0.03 0.00 -0.04 0.02 0.04 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.03 0.05 -0.03 -0.00 -0.00 0.00 0.05 -0.18 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.18 -0.12 0.08 0.90 0.29 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.06 0.17 0.01 0.02 -0.02 -0.02 0.02 0.02 0.02 -0.01 0.01 -0.04 -0.01 -0.00 0.01 -0.05 -0.04 0.09 0.07 -0.02 -0.02 0.04 -0.03 -0.13 -0.04 -0.08 -0.03 0.04 -0.09 0.11 -0.02 -0.01 0.00 -0.03 0.01 -0.06 0.00 -0.01 0.01 0.01 0.00 -0.00 0.03 0.03 0.08 0.01 -0.02 0.02 0.02 0.03 -0.02 -0.00 -0.00 -0.04 -0.02 -0.00 0.00 -0.00 0.01 0.02 0.05 0.05 0.27 -0.06 -0.02 0.23 -0.28 -0.04 -0.42 0.17 -0.20 -0.07 -0.07 -0.04 0.16 0.15 -0.29 -0.24 -0.08 0.32 0.03 -0.04 0.07 0.04 -0.02 -0.05 -0.13 -0.00 0.00 0.01 -0.03 -0.03 -0.02 0.02 -0.01 0.17 -0.00 -0.01 0.16 0.03 -0.01 0.01 0.04 -0.01 -0.05 0.02 0.07 -0.03 -0.02 -0.08 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 0.02 -0.05 -0.03 -0.04 0.04 -0.03 -0.02 -0.00 0.00 0.02 -0.04 0.01 -0.00 0.01 0.17 0.04 0.01 0.02 0.04 0.02 -0.02 0.03 -0.02 -0.02 -0.02 0.00 -0.04 -0.01 -0.01 0.09 0.01 -0.01 -0.02 -0.01 -0.04 -0.01 -0.01 0.03 -0.02 -0.07 -0.08 0.02 0.00 0.03 -0.05 0.04 -0.07 -0.04 0.02 0.14 -0.00 -0.00 0.03 0.05 -0.00 -0.01 0.03 -0.00 -0.01 0.02 0.10 0.04 0.01 -0.03 -0.05 -0.01 0.15 -0.03 0.02 -0.14 -0.01 -0.03 0.06 0.04 -0.10 -0.06 -0.02 -0.11 -0.10 -0.02 -0.02 0.04 0.01 0.02 -0.05 -0.07 -0.02 0.51 0.41 -0.02 0.01 0.02 0.01 0.02 0.11 -0.03 -0.01 0.02 -0.07 0.11 -0.01 -0.07 -0.48 -0.29 0.02 -0.02 0.02 0.00 -0.00 0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.02 0.05 0.02 0.05 -0.04 0.01 0.02 0.00 0.00 -0.01 0.03 -0.01 0.00 -0.01 -0.11 0.00 0.02 -0.02 -0.09 -0.07 0.04 -0.03 0.05 0.03 0.02 -0.00 0.02 -0.02 -0.02 -0.06 0.02 0.02 0.03 0.02 0.06 0.01 0.02 -0.01 0.01 -0.10 -0.06 -0.04 0.01 -0.05 0.04 -0.05 0.03 0.03 0.11 0.01 0.00 0.00 -0.02 -0.03 -0.01 -0.00 -0.01 0.00 0.00 -0.02 -0.15 -0.03 0.01 0.01 0.11 -0.00 -0.15 0.04 -0.03 0.25 0.01 0.04 -0.12 -0.07 0.03 0.02 0.03 0.07 0.01 -0.00 0.04 -0.08 -0.03 -0.02 0.06 0.09 -0.00 0.48 0.44 0.04 -0.04 -0.06 -0.02 -0.06 -0.20 0.07 0.02 0.04 0.05 0.02 0.09 0.05 -0.35 -0.36 -0.01 0.01 -0.01 0.00 0.00 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.07 -0.10 -0.01 0.03 0.06 0.01 0.02 0.01 0.00 -0.00 -0.01 0.03 -0.01 0.00 -0.01 -0.12 -0.01 -0.05 0.03 0.13 0.11 -0.07 -0.08 -0.06 -0.03 -0.02 0.00 0.02 0.02 0.01 -0.07 0.02 0.02 -0.05 -0.03 -0.08 0.01 0.03 -0.03 0.02 -0.05 -0.02 0.07 -0.01 0.07 0.04 -0.05 0.04 0.03 0.07 -0.03 0.00 0.01 -0.03 -0.04 -0.00 0.00 -0.02 -0.00 0.01 0.06 0.20 -0.17 -0.02 -0.04 -0.29 0.14 -0.04 0.12 0.02 -0.38 -0.01 -0.05 0.31 0.08 0.07 0.05 0.01 0.04 0.08 0.01 -0.08 0.19 0.08 0.07 -0.11 -0.13 0.00 0.20 0.20 -0.09 0.06 0.06 0.03 0.11 0.36 -0.13 -0.03 -0.13 0.04 -0.02 0.07 0.04 -0.10 -0.17 -0.00 0.01 -0.02 0.00 0.00 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.05 -0.07 -0.05 0.01 -0.11 -0.01 0.01 -0.00 -0.01 0.00 -0.01 0.04 0.00 0.00 -0.01 -0.02 -0.07 0.00 -0.08 0.07 0.14 0.04 0.12 -0.10 0.01 0.03 -0.01 -0.00 0.07 0.02 -0.02 0.01 0.02 0.04 0.04 -0.00 0.00 0.01 -0.02 0.00 -0.02 -0.01 -0.03 -0.05 -0.00 0.00 -0.01 0.01 0.01 0.02 -0.01 0.01 0.01 -0.02 -0.01 -0.00 0.00 -0.01 0.00 0.00 -0.08 -0.13 0.38 -0.07 0.12 0.22 -0.27 0.06 -0.36 0.03 -0.09 -0.01 0.01 -0.27 0.03 -0.01 0.07 0.04 0.05 0.07 0.04 0.06 -0.21 -0.07 -0.16 0.25 0.20 -0.00 0.10 0.09 0.09 0.10 0.24 -0.01 0.06 -0.19 0.05 0.05 -0.18 -0.01 -0.00 0.03 0.03 -0.04 -0.05 0.01 -0.00 -0.02 0.01 0.01 -0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.04 -0.04 -0.01 0.08 0.00 0.02 0.01 -0.11 0.06 -0.14 0.44 0.01 0.03 -0.12 0.06 -0.02 0.12 -0.01 0.02 -0.02 0.02 -0.11 -0.02 -0.01 -0.00 0.00 -0.10 -0.00 -0.03 0.05 -0.01 0.00 -0.00 -0.02 -0.02 -0.01 -0.04 0.04 -0.02 0.04 -0.04 0.00 0.01 0.02 -0.04 0.04 -0.05 -0.01 -0.04 0.04 0.08 0.08 -0.22 0.04 -0.00 0.00 -0.12 -0.00 0.02 -0.02 0.08 0.07 -0.01 -0.08 0.07 -0.02 -0.17 -0.05 0.00 -0.01 -0.00 -0.01 -0.00 0.01 -0.40 -0.13 0.02 0.07 -0.02 0.03 -0.00 -0.01 -0.03 0.01 -0.03 -0.04 -0.00 0.01 -0.09 0.01 -0.01 0.00 0.00 -0.01 0.02 0.01 0.01 0.03 -0.03 0.04 -0.06 0.04 -0.03 0.07 0.22 0.07 -0.32 0.16 0.11 -0.38 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.02 0.04 -0.21 -0.11 0.01 -0.00 -0.01 0.00 -0.02 0.05 0.00 0.01 -0.02 -0.02 -0.06 0.05 0.01 0.08 -0.09 -0.01 0.27 0.11 -0.03 -0.04 0.04 -0.01 0.04 0.04 -0.03 0.01 0.01 -0.02 -0.07 -0.01 0.01 0.02 -0.03 0.01 -0.02 0.01 0.02 0.07 0.02 0.01 -0.02 0.02 0.01 0.02 -0.02 0.01 0.01 -0.04 -0.02 -0.00 0.00 -0.02 -0.00 0.01 0.01 0.20 -0.24 0.06 0.13 0.04 0.11 -0.02 0.29 -0.07 0.14 0.05 -0.03 0.07 0.01 -0.01 0.01 0.00 0.01 0.11 0.04 -0.03 0.08 -0.05 0.17 -0.35 -0.31 -0.01 0.02 0.06 -0.05 -0.15 -0.27 0.01 -0.13 0.12 0.00 -0.07 0.37 -0.02 -0.02 0.04 0.01 0.01 -0.04 0.03 0.01 -0.05 0.01 0.01 -0.04 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.03 -0.04 -0.02 -0.02 0.06 0.02 -0.02 0.01 -0.02 0.00 0.01 -0.04 -0.00 -0.01 0.02 -0.00 -0.04 0.08 -0.07 0.16 -0.03 0.10 -0.10 -0.03 -0.06 0.03 0.01 0.02 0.03 -0.08 -0.00 -0.02 0.01 0.03 -0.10 -0.04 -0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.06 0.04 -0.01 0.00 -0.01 0.01 0.00 -0.01 -0.02 -0.03 0.09 0.01 -0.01 0.01 0.02 0.01 -0.02 -0.08 0.10 0.09 -0.02 -0.04 0.32 -0.13 -0.30 -0.18 0.00 0.27 0.01 -0.08 -0.12 0.10 -0.13 0.08 0.11 0.24 -0.11 -0.01 0.05 -0.17 -0.21 0.08 -0.26 -0.25 -0.02 -0.01 -0.02 0.05 -0.12 -0.13 0.01 -0.13 -0.03 0.09 -0.00 0.34 -0.03 -0.01 0.01 0.05 -0.01 0.01 -0.07 -0.03 0.12 0.01 0.01 0.01 0.01 0.02 -0.03 -0.02 -0.00 0.00 0.04 -0.02 0.02 0.03 -0.01 -0.04 0.02 0.02 0.02 -0.01 0.01 -0.04 -0.01 -0.00 0.00 -0.20 -0.08 -0.04 -0.00 0.01 0.01 -0.00 0.03 0.01 0.01 -0.01 -0.00 0.04 0.03 0.01 -0.00 -0.01 0.06 -0.01 0.00 0.01 -0.07 -0.23 0.27 -0.11 0.14 -0.19 0.00 0.00 -0.01 -0.01 0.08 -0.10 0.04 -0.07 0.08 -0.01 -0.01 0.01 0.16 0.01 -0.02 -0.00 -0.00 0.01 0.00 0.02 -0.07 -0.02 0.08 -0.02 0.03 -0.09 0.07 -0.01 -0.02 0.00 0.01 0.03 -0.01 0.15 0.10 0.03 0.11 0.11 0.03 -0.01 0.05 0.03 0.02 -0.02 0.01 0.09 0.30 -0.25 -0.02 -0.01 -0.04 -0.00 -0.00 0.02 -0.02 -0.01 -0.00 0.32 0.22 -0.27 0.37 -0.17 0.18 -0.07 -0.00 0.03 -0.03 -0.02 0.05 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.04 0.07 -0.06 0.02 0.01 -0.08 -0.04 0.02 -0.05 0.02 -0.00 -0.01 -0.00 -0.01 0.03 0.01 -0.11 0.20 0.02 -0.11 -0.02 -0.04 0.04 0.02 0.03 0.02 0.05 0.03 0.04 -0.10 -0.01 -0.03 0.02 -0.02 0.04 -0.09 -0.00 0.01 -0.02 -0.01 0.02 -0.01 0.04 -0.07 0.05 -0.01 -0.00 0.00 0.03 0.02 -0.02 -0.02 -0.04 0.12 0.02 -0.01 0.01 0.02 0.01 -0.04 0.01 0.05 0.03 -0.01 0.06 -0.11 0.11 -0.15 0.20 -0.11 -0.23 0.07 0.05 0.19 -0.13 -0.27 0.04 0.14 0.45 -0.04 0.03 -0.02 -0.02 -0.03 -0.10 0.17 0.05 -0.06 -0.02 -0.01 -0.00 0.15 0.28 0.02 0.17 0.14 -0.06 0.02 -0.29 -0.08 -0.03 0.04 0.09 0.00 -0.00 -0.06 -0.04 0.15 0.05 0.03 -0.08 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.04 0.00 0.00 -0.00 -0.02 0.01 -0.02 0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.03 0.07 0.01 0.11 0.01 0.01 -0.01 -0.02 0.05 -0.18 -0.07 0.01 0.01 -0.04 0.00 -0.01 0.00 -0.06 0.08 0.20 0.00 0.02 -0.02 -0.00 0.00 -0.00 -0.03 0.02 -0.13 -0.01 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 0.05 -0.00 -0.00 0.01 0.01 0.01 -0.02 0.01 0.31 -0.02 0.00 -0.03 0.04 0.01 -0.13 0.01 0.11 -0.26 -0.08 0.04 -0.26 0.02 -0.11 0.00 0.05 0.16 -0.02 0.01 -0.10 0.42 0.42 0.09 0.05 0.25 -0.02 -0.02 0.01 -0.10 -0.07 -0.28 -0.03 -0.06 -0.09 -0.07 -0.03 -0.03 -0.04 -0.01 0.02 0.03 -0.00 0.00 -0.01 -0.01 0.05 0.02 0.02 -0.04 0.01 0.01 -0.01 -0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.01 0.06 0.01 -0.02 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.01 -0.03 -0.02 0.02 0.00 -0.01 0.01 -0.07 -0.03 0.04 -0.11 0.03 -0.03 -0.00 0.01 -0.00 0.00 -0.09 0.10 0.03 0.10 -0.12 -0.00 0.01 -0.02 0.30 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.04 -0.01 0.02 0.02 -0.01 -0.01 -0.00 0.02 0.00 -0.01 -0.01 -0.07 -0.04 -0.01 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.46 -0.12 0.14 0.00 -0.01 -0.03 -0.00 -0.02 -0.02 0.01 -0.00 0.03 -0.46 -0.30 0.37 -0.23 0.19 -0.23 -0.03 0.00 -0.00 -0.02 -0.01 0.04 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 0.00 -0.03 0.00 -0.01 0.03 -0.00 -0.00 -0.09 -0.05 0.16 -0.01 0.02 -0.04 0.00 -0.01 0.02 -0.01 0.00 -0.00 -0.00 0.01 -0.01 0.03 -0.01 0.03 -0.01 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 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.07 -0.02 0.06 0.02 0.00 -0.00 -0.07 0.06 -0.18 0.01 -0.05 0.02 0.00 -0.01 -0.03 -0.00 0.07 -0.01 0.02 0.04 -0.01 -0.01 0.02 0.02 0.05 -0.04 -0.04 -0.00 0.06 0.01 0.01 -0.01 -0.01 0.01 -0.02 -0.01 0.00 0.01 -0.00 0.00 -0.02 -0.03 -0.00 -0.02 -0.01 0.01 -0.00 0.05 0.01 -0.01 0.01 -0.04 0.01 -0.02 0.68 0.04 -0.19 0.18 0.17 -0.56 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.03 -0.04 0.01 0.02 -0.01 -0.01 0.01 -0.02 0.00 -0.00 0.01 0.01 0.00 -0.01 0.01 -0.08 0.00 0.01 -0.10 0.15 -0.10 0.01 -0.04 0.03 0.08 -0.10 0.01 0.03 -0.00 0.01 0.00 0.01 0.02 -0.09 0.07 0.01 0.01 -0.02 -0.00 -0.00 -0.00 -0.01 0.08 -0.04 -0.01 0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.01 0.02 -0.01 -0.00 0.00 0.01 -0.00 0.01 -0.00 -0.19 0.44 -0.04 0.01 -0.29 0.06 0.14 0.06 0.16 0.18 -0.12 0.01 0.36 0.07 -0.06 -0.00 0.01 0.14 0.07 0.03 0.02 0.07 -0.02 0.16 -0.17 0.02 -0.03 -0.00 0.03 -0.02 -0.14 -0.30 -0.01 -0.17 -0.03 0.02 -0.03 0.31 -0.03 0.00 0.00 0.06 -0.02 0.02 -0.10 -0.02 0.06 -0.00 -0.01 0.03 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.01 0.01 0.01 0.02 -0.01 0.03 -0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.04 -0.04 -0.04 -0.02 -0.01 -0.01 0.02 -0.00 0.01 0.02 -0.00 0.01 -0.01 0.01 0.01 0.08 -0.02 0.04 -0.02 0.00 -0.01 0.07 0.05 -0.06 -0.07 -0.00 0.00 0.01 -0.00 0.00 -0.06 0.04 -0.05 0.05 -0.01 0.01 0.01 0.01 -0.03 -0.02 -0.02 0.02 -0.01 0.00 -0.01 -0.01 0.00 -0.05 -0.01 0.04 0.04 -0.02 -0.02 -0.02 -0.03 0.01 0.01 0.02 0.01 -0.04 0.12 0.09 0.02 -0.10 -0.04 -0.01 -0.02 0.03 -0.01 0.01 -0.00 -0.00 -0.55 -0.21 0.27 -0.02 0.01 0.00 0.00 0.02 0.04 -0.02 -0.01 -0.03 -0.24 -0.03 0.04 0.59 -0.15 0.20 0.07 0.01 -0.05 -0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.01 0.00 -0.04 0.00 0.02 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.02 -0.03 -0.15 -0.07 0.01 0.10 0.01 -0.01 0.16 0.02 0.01 -0.00 0.02 0.01 0.00 0.01 -0.01 -0.14 -0.02 -0.00 -0.01 -0.00 0.01 0.02 -0.00 0.00 0.09 0.01 -0.01 0.01 -0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.16 0.03 0.07 -0.06 0.23 0.22 -0.15 -0.16 -0.19 -0.18 0.10 0.06 0.19 0.24 -0.29 0.03 0.03 0.00 -0.06 -0.04 -0.01 -0.14 0.30 -0.09 0.19 -0.11 0.04 0.11 0.05 -0.04 -0.17 0.03 -0.13 0.04 0.05 0.37 -0.17 -0.07 -0.08 0.01 -0.01 0.01 -0.18 0.04 -0.05 0.03 0.00 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.06 -0.01 0.02 -0.06 -0.04 -0.05 0.01 -0.04 0.01 -0.01 0.02 0.01 0.00 -0.02 0.06 0.29 0.09 -0.03 -0.01 0.03 -0.00 0.01 -0.02 0.04 0.02 -0.01 0.01 -0.08 -0.02 -0.17 -0.05 -0.02 -0.04 -0.01 0.01 -0.02 -0.01 0.02 -0.08 0.00 0.02 0.03 0.01 -0.01 0.06 0.00 0.00 0.08 0.01 -0.02 -0.01 -0.01 0.04 -0.01 0.00 -0.01 0.02 -0.00 0.01 -0.03 -0.19 0.09 0.05 -0.16 0.02 -0.07 0.17 -0.13 -0.03 0.04 0.01 0.05 0.00 -0.06 -0.20 -0.23 -0.06 0.00 -0.00 -0.03 -0.03 0.05 -0.07 0.06 -0.03 0.03 -0.21 -0.11 0.04 -0.05 0.00 -0.06 0.01 -0.00 0.11 -0.06 -0.03 0.01 0.29 0.09 -0.12 0.59 -0.13 0.16 -0.02 -0.01 0.05 0.00 -0.01 0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 -0.01 0.03 0.02 -0.02 -0.00 -0.13 0.05 -0.13 0.02 -0.02 0.06 0.05 0.01 -0.04 -0.13 0.05 -0.10 -0.01 0.01 -0.01 0.01 -0.00 0.02 0.01 -0.00 0.01 0.07 -0.04 0.05 0.15 0.03 -0.03 -0.02 0.01 -0.00 0.03 -0.00 -0.00 0.02 -0.01 0.01 0.02 -0.01 0.00 -0.05 0.01 -0.01 -0.04 -0.02 0.02 -0.04 -0.03 0.11 0.02 0.00 -0.00 0.04 -0.00 0.01 -0.00 -0.09 -0.14 0.05 -0.11 0.05 -0.07 0.27 -0.12 -0.04 0.09 0.02 0.02 -0.09 -0.03 -0.11 -0.26 -0.12 0.45 0.47 0.09 -0.02 0.01 -0.05 0.01 -0.01 -0.02 -0.15 -0.09 0.10 -0.03 0.02 0.00 0.01 0.02 0.06 -0.03 -0.02 -0.03 -0.20 -0.06 0.07 -0.23 0.03 -0.04 -0.11 -0.04 0.14 0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.03 -0.05 -0.03 0.04 -0.02 -0.06 0.01 -0.01 0.09 0.03 0.01 -0.04 -0.06 0.01 -0.04 -0.18 0.17 0.19 0.00 -0.01 0.03 -0.03 0.02 -0.03 0.02 0.02 -0.01 -0.00 -0.06 -0.08 0.17 -0.02 -0.02 -0.01 -0.01 0.01 0.04 -0.00 0.00 0.04 0.02 -0.01 0.01 0.01 -0.00 -0.07 0.01 -0.01 -0.06 -0.02 0.02 0.04 0.01 -0.03 0.02 -0.01 0.01 -0.02 -0.01 0.02 0.00 -0.15 0.21 0.04 -0.16 -0.03 0.02 -0.11 0.03 0.00 -0.04 -0.01 0.02 0.03 -0.01 0.13 0.17 0.14 -0.19 -0.23 -0.11 -0.00 0.00 -0.04 0.03 -0.00 0.04 0.03 -0.02 -0.04 -0.02 -0.01 -0.04 0.00 -0.01 0.03 -0.02 -0.01 0.02 -0.28 -0.08 0.10 -0.37 0.07 -0.08 0.39 0.05 -0.17 -0.18 -0.08 0.24 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.03 -0.00 0.02 -0.13 -0.01 -0.00 0.06 -0.00 0.01 -0.04 0.03 -0.10 0.04 -0.02 -0.03 -0.01 -0.02 0.01 0.04 0.01 -0.01 -0.01 -0.00 -0.00 0.07 0.01 0.01 -0.04 0.00 -0.00 0.05 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.04 0.01 0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 0.01 -0.01 0.05 -0.00 0.00 -0.00 0.00 -0.01 0.04 -0.01 0.08 -0.15 -0.07 0.27 -0.01 -0.01 -0.22 0.01 0.02 -0.18 -0.01 -0.02 0.28 0.03 0.08 0.01 -0.00 0.04 0.02 -0.00 0.03 -0.00 0.14 -0.03 0.01 -0.01 -0.00 0.00 0.00 0.06 -0.03 0.02 -0.02 -0.03 -0.12 0.07 0.03 0.04 0.06 0.02 -0.02 0.07 -0.01 0.02 0.59 0.04 -0.20 -0.24 -0.12 0.39 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.02 -0.03 0.01 0.04 0.01 -0.02 -0.03 -0.00 0.00 0.03 -0.01 0.05 -0.04 0.08 0.02 -0.04 -0.03 0.02 0.06 0.01 -0.02 -0.01 0.01 -0.01 -0.02 -0.03 0.00 0.03 0.00 -0.02 0.08 -0.02 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.06 0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.00 -0.01 0.00 0.00 -0.00 0.01 0.01 -0.02 -0.02 0.05 -0.23 -0.08 0.33 0.01 -0.05 -0.29 -0.04 0.02 -0.34 -0.02 -0.02 0.51 0.03 -0.05 -0.06 -0.02 -0.03 0.01 -0.00 0.05 0.01 0.24 -0.03 0.02 0.00 -0.05 -0.04 0.02 0.10 -0.05 0.02 -0.03 -0.06 -0.19 0.10 0.05 0.08 -0.04 -0.01 0.01 -0.04 0.00 -0.00 -0.30 -0.02 0.11 0.14 0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.04 0.02 -0.03 0.03 -0.00 0.01 0.02 0.00 -0.01 -0.02 -0.00 0.01 0.00 -0.03 0.01 -0.08 -0.02 -0.02 0.00 -0.02 0.05 0.02 -0.01 0.00 -0.02 0.01 -0.01 -0.01 -0.01 0.02 0.04 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.04 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.00 -0.01 -0.09 0.23 -0.03 0.15 -0.45 0.18 -0.12 0.56 -0.21 -0.03 -0.08 0.01 0.01 0.34 -0.02 -0.03 0.02 0.02 0.04 0.00 0.01 0.00 0.10 0.26 -0.02 -0.05 -0.11 0.04 0.03 -0.03 0.08 -0.00 0.08 -0.02 -0.01 -0.11 0.07 0.02 0.04 -0.02 -0.01 0.01 0.01 0.00 -0.00 0.02 0.00 -0.01 -0.09 -0.03 0.09 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 0.10 0.01 -0.04 0.18 0.00 -0.01 -0.02 -0.03 0.09 -0.01 0.00 -0.02 0.01 0.00 0.01 0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.06 0.00 0.00 0.02 0.03 -0.03 -0.01 -0.01 0.01 -0.04 0.00 -0.01 0.02 -0.00 0.00 0.01 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.02 0.00 -0.01 0.01 -0.01 0.02 -0.15 0.02 -0.07 0.02 -0.08 -0.09 -0.03 0.11 -0.03 0.01 -0.08 0.01 0.01 -0.05 -0.00 -0.01 -0.06 0.01 -0.24 -0.13 -0.05 0.10 0.09 0.04 0.01 -0.05 -0.09 0.01 0.04 0.08 -0.20 -0.10 0.12 -0.02 -0.01 -0.05 0.01 -0.01 0.03 -0.02 -0.01 0.01 0.20 0.08 -0.10 -0.07 0.01 -0.02 -0.19 -0.01 0.06 -0.56 -0.14 0.49 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 0.02 -0.05 0.00 -0.00 -0.00 0.01 -0.02 -0.02 -0.02 0.02 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.01 0.00 0.01 0.00 -0.01 0.05 0.03 -0.03 0.00 0.01 -0.00 -0.14 0.03 -0.03 0.06 0.01 -0.01 -0.01 -0.01 0.00 0.06 0.01 -0.01 -0.03 -0.00 0.00 0.01 0.00 -0.00 0.03 -0.06 0.07 0.03 -0.01 0.02 -0.01 0.03 0.07 0.01 -0.06 0.02 0.01 -0.01 0.01 -0.00 0.04 0.00 0.01 0.03 -0.01 0.06 0.05 0.03 -0.01 -0.03 -0.01 -0.00 0.03 0.06 -0.00 -0.03 -0.06 -0.49 -0.25 0.29 0.01 0.01 0.03 -0.00 0.01 -0.02 0.01 0.01 -0.01 0.57 0.23 -0.28 -0.20 0.05 -0.05 0.06 0.00 -0.02 0.13 0.03 -0.11 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.01 0.01 -0.01 -0.00 -0.00 0.01 -0.02 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.02 0.01 -0.01 0.00 -0.01 0.02 -0.00 0.02 -0.03 0.05 0.01 0.00 0.00 -0.00 0.00 -0.01 0.02 -0.00 -0.06 0.02 -0.02 0.01 -0.01 0.01 0.01 -0.01 0.04 0.06 -0.03 0.01 0.01 -0.01 -0.01 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 0.01 0.00 -0.07 -0.32 0.05 -0.12 0.09 -0.04 0.17 -0.08 -0.01 -0.49 -0.01 -0.04 -0.02 0.05 0.02 0.02 0.01 0.01 -0.01 0.00 0.04 -0.18 -0.32 0.01 0.26 0.50 0.00 0.00 -0.00 -0.07 -0.06 -0.23 0.02 -0.10 0.13 -0.08 -0.04 0.11 0.02 0.01 -0.01 -0.01 0.01 -0.01 0.04 0.00 -0.01 0.05 0.01 -0.04 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.03 0.01 0.00 0.00 -0.02 0.00 -0.02 0.01 -0.03 0.03 -0.00 0.01 0.03 -0.01 0.02 0.00 0.08 -0.05 0.01 0.00 0.02 0.01 -0.01 0.00 0.01 -0.01 -0.01 0.01 -0.02 0.02 0.03 -0.27 0.31 -0.00 0.02 0.00 -0.14 0.09 -0.10 0.14 0.11 -0.13 -0.01 -0.02 0.01 0.16 0.11 -0.13 -0.19 0.08 -0.10 -0.02 -0.00 0.00 0.00 -0.16 0.19 -0.02 0.01 -0.02 0.03 -0.14 -0.13 -0.05 0.21 -0.09 -0.02 0.00 -0.03 0.01 0.15 -0.00 0.01 -0.04 -0.01 0.04 -0.05 -0.03 -0.06 0.04 -0.01 -0.01 0.05 0.06 0.01 -0.09 -0.14 0.32 0.20 -0.23 0.01 0.02 0.05 -0.00 0.03 -0.03 0.01 0.01 -0.03 -0.34 -0.11 0.13 0.20 -0.02 0.03 -0.08 -0.00 0.03 -0.07 -0.02 0.05 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.00 0.01 0.01 0.00 -0.15 0.02 -0.04 0.04 -0.02 0.06 0.18 -0.03 0.10 -0.01 -0.01 0.02 -0.01 -0.01 -0.05 -0.02 0.02 -0.01 -0.01 -0.01 0.02 0.09 -0.00 0.01 -0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.15 0.02 -0.07 0.00 0.00 -0.00 0.01 0.03 -0.11 -0.04 0.23 0.35 0.05 -0.21 0.09 0.06 -0.10 0.09 -0.02 -0.09 0.01 -0.01 0.12 0.00 0.46 0.23 0.06 -0.40 -0.21 -0.10 0.01 -0.05 -0.04 -0.02 0.10 0.15 -0.01 -0.00 0.00 -0.00 -0.02 -0.04 0.00 -0.02 0.02 -0.00 0.00 0.02 0.03 0.01 -0.01 -0.01 0.00 -0.00 -0.14 0.03 -0.10 -0.15 -0.04 0.12 0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 -0.02 0.00 -0.00 -0.01 -0.01 0.02 0.00 -0.00 0.00 0.00 -0.01 -0.02 0.00 -0.01 -0.01 0.03 -0.01 0.00 -0.04 -0.01 0.01 -0.02 0.02 -0.05 -0.08 -0.00 -0.01 -0.01 -0.00 0.00 -0.01 0.00 0.01 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.03 0.00 -0.01 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.02 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.03 0.65 0.24 -0.05 0.21 -0.14 -0.05 0.08 -0.05 -0.00 0.31 -0.00 -0.07 0.23 0.11 -0.04 -0.02 0.00 0.05 0.06 0.01 0.05 -0.23 -0.29 -0.08 0.20 0.22 -0.01 -0.01 0.00 -0.04 0.02 -0.04 0.01 0.02 0.10 -0.02 -0.02 0.01 -0.02 -0.01 0.01 0.02 -0.01 0.01 0.00 -0.01 0.02 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -0.02 0.02 -0.00 0.01 0.04 0.03 0.01 -0.03 0.02 0.00 -0.01 -0.06 0.01 -0.03 0.00 0.02 -0.08 -0.01 0.01 -0.12 -0.04 0.05 -0.04 0.01 0.02 0.04 -0.02 -0.00 0.02 0.00 -0.01 0.01 0.01 -0.03 -0.03 -0.02 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.02 0.01 0.02 0.01 -0.01 -0.03 0.00 -0.01 0.05 -0.01 0.04 -0.00 0.00 -0.00 -0.02 -0.01 0.04 -0.05 0.01 0.61 0.06 -0.33 0.20 0.16 -0.34 0.25 -0.03 -0.28 0.04 0.02 0.09 -0.08 -0.07 -0.08 -0.05 0.05 0.08 0.03 -0.01 0.06 0.13 0.01 0.11 0.17 0.01 0.00 0.00 0.03 -0.05 -0.05 -0.00 -0.05 -0.03 0.01 0.02 0.01 -0.07 -0.04 0.05 0.09 -0.03 0.03 -0.04 -0.03 0.09 0.04 0.02 -0.05 -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 0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 0.01 0.02 -0.00 0.00 0.01 -0.03 0.03 -0.00 0.04 0.04 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.10 -0.13 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.03 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 -0.01 0.02 0.12 0.05 -0.06 0.24 -0.16 -0.05 0.12 -0.06 -0.01 0.18 0.04 0.02 -0.34 -0.07 0.03 0.03 0.03 0.03 0.04 -0.00 -0.08 0.39 0.46 -0.06 0.26 0.37 -0.01 -0.00 0.00 0.16 0.00 0.07 -0.03 -0.11 0.12 0.06 -0.00 0.20 0.01 0.01 -0.01 -0.01 0.00 -0.01 0.01 0.00 -0.02 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 0.02 -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 -0.01 0.00 0.00 0.03 0.05 -0.01 0.04 -0.05 0.01 -0.12 -0.00 0.02 0.02 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.05 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.03 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 -0.31 -0.30 0.07 -0.31 0.19 0.06 -0.20 0.07 -0.13 0.47 0.04 -0.02 0.33 0.11 -0.05 -0.06 -0.05 -0.06 -0.08 -0.00 -0.00 -0.01 0.03 -0.07 0.25 0.28 0.00 0.00 -0.00 0.07 0.05 0.08 -0.02 0.02 0.18 0.08 -0.01 0.13 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.01 0.06 -0.03 0.12 -0.10 -0.01 0.03 0.07 -0.01 0.03 0.02 0.02 -0.03 -0.00 0.02 -0.03 -0.01 0.01 -0.01 0.01 -0.03 0.01 -0.07 -0.04 -0.05 0.01 0.01 -0.01 0.00 0.01 -0.00 -0.03 -0.01 0.01 0.02 -0.01 0.01 0.00 0.00 -0.00 0.04 -0.00 0.00 -0.04 -0.00 0.00 -0.12 0.02 -0.06 0.00 0.02 -0.02 0.10 0.03 -0.09 -0.01 -0.13 0.11 -0.00 -0.02 0.03 0.04 -0.06 0.05 -0.02 -0.01 0.01 0.00 0.12 -0.00 -0.14 -0.01 0.04 0.63 0.36 0.10 0.01 -0.04 -0.01 0.01 0.03 0.04 0.00 -0.02 0.02 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.01 0.00 -0.00 -0.08 -0.06 0.07 0.13 -0.05 0.06 0.33 0.08 -0.27 -0.11 -0.06 0.22 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.03 -0.02 0.03 0.00 -0.00 -0.01 0.00 -0.01 0.06 0.01 0.00 -0.00 0.03 -0.01 -0.00 -0.00 -0.00 0.01 -0.03 0.00 -0.08 -0.11 -0.02 -0.02 -0.02 0.02 -0.00 0.01 0.00 0.05 0.01 -0.01 -0.04 0.01 -0.01 -0.00 -0.00 -0.01 -0.05 0.00 -0.00 0.05 0.01 -0.01 0.02 -0.00 0.01 0.00 -0.03 0.04 -0.03 -0.01 0.02 -0.00 -0.16 0.03 -0.01 0.03 0.00 0.01 0.01 0.01 -0.02 0.01 0.01 0.00 0.11 0.01 0.49 0.46 0.34 0.18 0.48 -0.01 0.01 -0.04 -0.02 0.01 0.01 0.01 0.02 0.04 -0.04 0.01 0.02 0.02 -0.01 0.02 0.04 0.02 -0.01 0.03 0.12 0.08 -0.10 -0.15 0.07 -0.08 -0.07 -0.01 0.05 0.02 0.01 -0.06 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 0.02 -0.02 0.03 -0.04 -0.00 0.01 0.01 -0.00 0.00 -0.01 0.02 -0.04 -0.00 0.04 -0.06 -0.00 -0.02 0.02 0.00 -0.02 0.02 0.03 0.05 0.01 -0.03 -0.06 0.07 0.00 0.01 -0.00 0.13 0.03 -0.03 -0.08 0.03 -0.04 0.00 0.00 0.00 -0.12 0.02 -0.02 0.13 0.02 -0.02 -0.03 0.00 -0.01 -0.01 -0.09 0.11 0.04 0.01 -0.03 -0.02 -0.14 0.25 -0.03 0.11 -0.07 0.00 0.06 0.01 -0.01 -0.07 0.02 0.01 0.13 -0.03 -0.32 -0.30 -0.21 0.03 -0.19 0.03 0.01 -0.05 0.01 0.02 0.03 0.05 0.00 0.09 -0.10 -0.01 -0.01 -0.02 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.24 0.19 -0.23 -0.45 0.19 -0.23 0.11 0.02 -0.07 -0.03 -0.02 0.08 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.03 -0.04 0.00 -0.02 0.02 0.00 0.01 -0.00 0.01 0.01 0.00 0.00 0.01 -0.01 -0.00 0.02 0.04 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.03 -0.03 -0.13 0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.01 -0.14 0.17 -0.04 0.14 -0.07 -0.01 0.08 -0.01 -0.01 -0.21 -0.00 0.00 0.06 0.01 -0.02 -0.02 -0.02 -0.04 -0.05 -0.00 0.02 -0.10 -0.08 0.05 -0.09 -0.09 -0.00 -0.01 0.01 0.21 0.24 0.37 -0.11 0.15 0.53 0.27 -0.08 0.42 -0.03 -0.02 0.02 0.04 -0.02 0.02 -0.01 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.01 0.02 0.01 -0.00 0.01 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.01 0.03 -0.03 0.00 -0.12 0.08 -0.00 0.06 -0.07 -0.02 0.08 -0.03 -0.02 -0.01 -0.00 -0.01 -0.02 0.02 -0.00 -0.01 0.02 0.04 0.01 -0.01 -0.02 0.01 -0.01 -0.02 -0.01 -0.04 -0.03 0.01 -0.01 0.03 0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.03 0.03 0.01 0.00 -0.01 0.01 0.53 -0.27 0.08 -0.33 0.25 0.08 -0.28 0.10 0.04 -0.03 -0.03 -0.02 -0.32 0.05 -0.03 -0.02 0.01 0.10 0.09 0.02 -0.00 0.10 -0.05 -0.05 -0.09 -0.13 0.00 0.02 -0.03 0.11 0.08 0.16 -0.04 0.04 0.21 0.10 -0.02 0.14 0.05 0.05 -0.06 -0.10 0.05 -0.06 0.05 0.01 -0.03 -0.02 -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 0.05 0.04 -0.06 -0.01 -0.01 0.02 -0.01 0.01 -0.02 0.00 0.01 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.10 0.01 0.03 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.02 0.05 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.02 -0.01 -0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 0.58 -0.01 -0.51 0.31 -0.48 0.19 0.00 0.01 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.10 -0.00 0.00 -0.02 -0.02 0.05 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.01 -0.02 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.04 0.02 -0.04 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 -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 0.00 -0.02 0.03 0.01 -0.01 0.01 0.15 0.03 -0.03 0.01 -0.04 -0.14 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.45 0.35 0.55 -0.06 0.18 -0.00 -0.00 0.00 -0.29 0.08 -0.07 0.01 0.33 -0.12 0.15 -0.01 0.17 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.00 0.05 0.02 -0.05 -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 -0.01 -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 0.02 0.05 -0.04 0.07 0.04 0.05 0.06 0.03 -0.61 -0.07 0.07 -0.05 -0.09 0.61 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.04 0.04 0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.14 -0.07 -0.14 -0.00 0.30 -0.04 0.23 0.09 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.18 -0.05 0.17 0.11 0.02 -0.08 0.05 -0.01 0.03 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 0.03 -0.03 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.01 0.08 0.04 -0.14 0.01 -0.00 0.00 -0.12 -0.02 0.08 -0.00 0.02 0.01 -0.00 -0.00 0.01 0.01 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.09 -0.14 -0.34 0.68 -0.17 0.17 -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 0.01 0.00 0.00 0.03 0.01 -0.02 0.02 0.00 -0.00 -0.27 0.00 -0.02 0.13 0.09 -0.31 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 0.01 -0.02 -0.01 0.03 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.04 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.03 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 -0.01 0.04 -0.05 -0.07 -0.06 -0.03 -0.04 0.25 0.02 -0.02 0.02 0.03 -0.26 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.26 -0.19 -0.29 0.06 0.00 0.01 0.00 -0.00 -0.17 -0.16 -0.26 -0.03 0.52 0.03 0.47 0.18 0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.03 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.15 -0.03 0.04 -0.00 0.00 -0.00 -0.06 0.08 -0.09 -0.11 -0.06 0.08 -0.00 0.00 0.00 -0.12 -0.09 0.10 -0.07 0.05 -0.06 -0.00 -0.00 0.01 0.12 0.03 -0.03 0.01 0.00 -0.01 0.00 0.00 0.00 0.01 -0.01 -0.02 -0.02 -0.03 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.02 0.00 -0.00 -0.00 -0.02 0.01 0.02 -0.00 0.00 0.48 0.20 -0.23 0.03 -0.01 0.00 -0.00 -0.02 0.02 -0.00 0.01 -0.02 0.50 0.19 -0.22 0.43 -0.08 0.10 0.01 -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 0.02 0.03 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.03 0.03 -0.00 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 0.01 -0.01 0.13 -0.12 -0.26 -0.22 -0.15 -0.13 -0.03 0.01 -0.00 -0.00 -0.03 0.03 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.02 -0.20 0.08 0.23 -0.05 0.03 -0.01 -0.00 0.01 0.44 -0.36 -0.15 -0.06 -0.12 0.32 0.22 0.24 -0.36 -0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.04 -0.06 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.02 -0.27 0.26 0.50 0.43 0.36 0.25 0.10 0.03 -0.01 0.01 0.01 -0.09 0.01 -0.00 -0.01 -0.01 -0.02 -0.00 -0.01 -0.06 0.00 0.06 -0.01 0.01 0.00 -0.00 -0.00 0.22 -0.21 -0.10 -0.03 -0.03 0.16 0.14 0.13 -0.19 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.12 -0.00 0.02 -0.09 -0.03 0.09 -0.17 -0.01 0.05 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -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 0.27 0.02 -0.08 -0.00 -0.00 0.00 0.19 0.05 -0.18 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.18 0.03 -0.07 0.12 -0.04 0.05 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.52 -0.07 0.26 -0.29 -0.16 0.52 -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 -0.03 0.03 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.05 0.23 -0.27 -0.00 -0.00 0.00 0.18 -0.12 0.14 -0.03 -0.14 0.17 -0.00 -0.00 0.00 -0.00 0.13 -0.16 -0.23 0.18 -0.21 -0.00 -0.00 0.00 0.10 -0.27 0.32 -0.00 0.00 0.00 0.00 -0.02 -0.02 -0.01 0.01 -0.00 -0.00 0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.03 0.02 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.36 0.02 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.18 0.07 -0.08 0.47 -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 0.02 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 -0.22 -0.04 0.05 0.00 -0.00 -0.00 0.27 -0.01 0.02 0.35 0.11 -0.13 -0.00 0.00 -0.00 -0.28 -0.10 0.12 -0.30 0.00 -0.00 0.00 0.00 -0.00 0.14 0.06 -0.07 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.02 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.35 -0.22 0.25 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.17 -0.20 0.23 -0.16 0.19 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.05 0.03 -0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 0.01 -0.14 -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.82 0.06 0.07 -0.17 -0.41 0.28 0.00 -0.00 0.00 -0.02 -0.04 0.03 0.01 -0.00 0.00 -0.06 0.13 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 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.00 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.12 -0.00 -0.01 0.03 0.01 0.01 -0.01 -0.00 0.01 -0.08 0.01 -0.41 0.57 0.01 0.09 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.04 -0.00 -0.00 -0.04 -0.10 0.07 0.00 -0.00 0.00 0.13 0.24 -0.19 -0.45 -0.01 -0.05 0.14 -0.33 -0.11 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.04 -0.00 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.01 -0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.07 -0.00 -0.00 -0.10 -0.04 -0.02 0.03 -0.01 -0.03 -0.06 0.01 -0.33 0.52 0.01 0.08 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.21 -0.01 -0.02 -0.04 -0.10 0.07 0.00 -0.00 0.00 -0.12 -0.22 0.18 0.52 0.01 0.06 -0.15 0.35 0.12 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.04 0.00 0.00 -0.05 -0.03 -0.03 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.53 -0.01 -0.03 0.72 0.30 0.18 -0.14 0.03 0.14 0.02 -0.00 0.10 0.04 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.03 0.02 0.07 0.00 0.01 -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 -0.07 -0.00 -0.00 -0.03 -0.02 -0.02 0.01 -0.00 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 0.77 0.02 0.05 0.46 0.19 0.11 -0.14 0.04 0.14 -0.04 0.00 -0.27 -0.06 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.10 -0.01 -0.01 -0.03 -0.07 0.05 0.00 -0.00 -0.00 0.01 0.02 -0.02 0.04 -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 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -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 -0.00 -0.00 -0.00 -0.06 -0.05 0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.06 0.00 0.00 0.04 0.02 0.01 -0.01 0.00 0.01 -0.04 0.01 -0.24 0.15 0.00 0.03 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.44 0.02 0.05 0.23 0.63 -0.43 0.00 -0.00 0.00 -0.09 -0.18 0.15 -0.08 0.00 -0.01 -0.01 0.04 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.06 0.00 -0.07 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.28 0.01 0.02 0.05 0.02 0.01 -0.03 0.01 0.03 0.11 -0.02 0.72 0.58 0.01 0.07 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.14 0.01 0.01 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.01 -0.02 0.01 -0.09 -0.00 -0.01 -0.03 0.08 0.03 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.07 -0.05 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.00 -0.00 -0.02 -0.01 -0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.07 -0.07 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.15 -0.01 -0.02 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.02 -0.01 -0.01 -0.62 -0.03 -0.08 -0.27 0.67 0.23 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.02 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.04 -0.07 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 -0.01 0.00 -0.00 -0.04 -0.02 -0.01 -0.04 0.01 0.04 -0.00 0.00 -0.01 0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.12 0.01 0.01 0.06 0.17 -0.12 0.00 -0.00 0.00 0.31 0.61 -0.51 0.33 -0.01 0.05 -0.12 0.26 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 0.04 -0.05 -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 -0.27 0.50 -0.37 -0.19 0.07 0.70 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 0.07 -0.01 -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 -0.07 0.00 -0.01 -0.23 -0.10 -0.07 -0.63 0.18 0.70 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.02 -0.05 0.04 -0.02 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.04 -0.09 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.29 -0.55 0.39 -0.18 0.07 0.65 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 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 0.01 -0.02 0.02 0.00 0.00 0.00 0.00 -0.00 0.00 0.03 0.05 -0.06 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.20 0.18 -0.22 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.38 -0.54 0.66 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.05 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 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.04 -0.04 0.05 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.57 -0.52 0.62 -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 -0.00 0.00 -0.00 -0.00 0.00 -0.05 0.04 -0.05 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 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 -0.01 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 0.54 -0.49 0.58 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.05 0.04 -0.05 -0.14 -0.20 0.24 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.07 0.01 -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 0.01 -0.00 0.01 0.83 -0.17 0.52 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 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 -0.01 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 0.40 -0.28 0.87 -0.01 0.00 -0.01 17 17 8 8 7 7 7 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 1 298.150 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 17 17 8 8 7 7 7 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 34.96885 34.96885 15.99491 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 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 341.06978 0.99982 -0.01908 -0.00214 0.01912 0.99956 0.02258 0.0017 -0.02261 0.99974 asymmetric 1 0.01484 0.00771 0.00601 0.30914 0.16056 0.12520 805505.4 26.27 41.21 49.55 77.18 79.03 97.11 122.87 174.91 206.79 214.37 242.46 256.40 265.34 293.03 340.64 391.96 419.28 439.31 459.40 500.63 543.24 570.44 578.77 625.41 661.37 668.91 727.95 773.63 828.00 924.66 951.53 965.42 977.85 990.95 1026.31 1071.59 1126.32 1138.11 1190.86 1205.95 1211.28 1259.29 1271.60 1273.89 1296.50 1302.10 1304.29 1322.08 1414.25 1421.03 1432.61 1459.76 1473.01 1480.69 1524.01 1541.97 1557.90 1564.48 1607.36 1616.39 1642.55 1676.32 1680.28 1727.88 1741.05 1764.78 1779.60 1786.97 1832.49 1849.97 1853.33 1860.57 1881.08 1920.88 1935.87 1957.25 1976.19 1988.29 2004.32 2015.71 2022.71 2027.42 2036.57 2104.69 2115.97 2126.62 2131.14 2139.14 2145.27 2150.44 2166.64 2212.40 2288.81 2327.65 4336.96 4346.46 4348.06 4363.86 4375.19 4387.05 4413.75 4430.58 4449.88 4484.63 4524.89 4565.12 4612.22 4627.10 4638.18 4692.65 4713.16 0.306801 0.327021 0.327965 0.254962 -1816.955958 -1816.935738 -1816.934793 -1817.007797 205.209 76.056 153.649 0.000 0.000 0.000 0.889 2.981 43.375 0.889 2.981 35.202 203.431 70.094 75.072 1 0.593 1.986 6.815 2 0.593 1.984 5.921 3 0.594 1.983 5.556 4 0.596 1.976 4.678 5 0.596 1.976 4.632 6 0.598 1.970 4.225 7 0.601 1.959 3.763 8 0.609 1.931 3.075 9 0.616 1.909 2.754 10 0.618 1.904 2.685 11 0.625 1.881 2.452 12 0.629 1.869 2.347 13 0.631 1.861 2.283 14 0.639 1.835 2.100 15 0.656 1.784 1.827 16 0.675 1.724 1.581 17 0.687 1.690 1.466 18 0.696 1.664 1.387 19 0.705 1.637 1.314 20 0.726 1.579 1.175 21 0.748 1.518 1.049 22 0.763 1.478 0.976 23 0.768 1.465 0.954 24 0.795 1.395 0.843 25 0.818 1.339 0.767 26 0.822 1.328 0.752 27 0.861 1.237 0.643 28 0.893 1.167 0.570 29 0.932 1.084 0.494 0.698889e+24 23.844409 54.903780 0.256401e+09 8.408919 19.362252 0.100000e+01 0.000000 0.000000 0.247582e+09 8.393719 19.327252 0.110096e+08 7.041771 16.214276 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1817.2627587 1.743E-9 4.393E-6 0.3068008 0.3270211 -1816.9357375 -1816.9347933 -1817.0077972 13.3002759,-15.8781156,2.5778397,-6.0395274,-2.1060198,-3.7058367 C01 [X(C15H17Cl2N3O2)] -1.3632036 -1.3503925 -0.2268183 -0.3409024 -0.2949927 0.3819326 -0.2570537 -0.3731407 0.3119394 0.3482058 0.3361109 -0.618707 -0.1107535 0.0550261 0.0292165 0.0472009 -1.1999634 -0.0558339 0.0332277 -0.0828718 -0.1368786 -1.6272195 0.377291 0.1694042 0.4120671 -0.8863193 -0.0705055 0.0393724 -0.0650002 -0.8398848 -1.342335 0.174939 -0.2190868 0.1955414 -0.9373381 0.0718245 -0.1460011 0.1814551 -0.9404754 -0.1856489 0.0563026 -0.0829474 -0.0151029 -0.9958529 0.0038282 -0.0339289 -0.1197055 0.0032014 -0.2930196 -0.1353399 0.0284482 -0.0253247 -0.2705414 0.2001254 0.0649093 0.5304719 -0.5403766 -0.4218351 0.0853702 0.0983745 -0.0276341 -1.0119006 -0.0516426 0.035117 -0.1467167 -0.7464592 1.3209443 -0.3591065 -0.0508954 -0.4039578 1.4731417 0.09981 -0.0833418 0.0792714 1.2224061 1.041859 -0.2076383 -0.011102 -0.2409481 0.5750397 -0.0558518 0.2772807 -0.0905171 0.333676 0.9315092 -0.0445823 0.157686 0.0324702 0.3991224 0.0699315 -0.0434754 0.0538635 0.2631329 -0.0103804 0.0136626 -0.0170681 -0.0269363 0.1513141 0.0519171 0.0260278 0.0205334 0.0959524 0.1070171 0.0789731 0.0295954 0.0782175 0.7764885 0.0513593 -0.0093302 0.05303 0.153332 -0.3033576 -0.0901814 0.1023259 0.0128977 -0.3341519 0.0795038 0.121832 -0.041804 -0.3111937 0.1611981 -0.0175484 0.0183179 -0.0155345 0.208951 0.0172992 0.0423418 0.0137039 0.191055 0.3992297 0.2412578 -0.5641367 0.3886995 0.6060583 -0.529358 -0.5977944 -0.3573434 0.792785 -0.0800522 0.0743497 -0.0720267 0.0290561 0.0534498 -0.0109342 -0.0524709 -0.1037182 -0.0340148 0.0534108 0.0282385 -0.0458232 0.0228697 0.132197 -0.0012005 -0.0592361 0.0051624 -0.0104922 -0.1701191 -0.0835529 0.0738772 -0.1142836 -0.6168062 0.1801842 0.082809 0.1278705 -0.2147708 -0.1270748 0.0554907 -0.0160421 0.0938908 -0.4046295 -0.1276897 -0.0088225 -0.070847 -0.1226326 0.1306194 -0.0338818 -0.0074106 0.0443101 1.0421859 -0.059924 -0.0481484 -0.1906087 0.17993 0.0845936 -0.0408928 -0.1512266 -0.0762249 1.6767967 0.109091 -0.1498756 0.0605114 0.2078115 0.0313389 -0.0082587 -0.1496482 -0.0576675 0.2443039 -0.1107263 -0.1218121 -0.0446612 0.7033175 -0.0342263 0.0231219 0.0060623 0.0617425 -0.2306104 -0.0463408 -0.0017669 -0.0498019 0.0213909 -0.0399811 -0.0291004 -0.0319348 -0.108742 -0.1235936 -0.1098225 -0.0113083 -0.0627073 0.0328945 0.0390002 0.0378644 -0.040246 0.0662997 0.0010571 0.1063173 -0.0680368 0.0729616 0.0179579 0.0057981 0.002829 -0.0454829 -0.0265492 0.0891273 -0.0024906 -0.0223438 0.0111534 -0.2182296 0.0058358 0.0269585 0.0181142 0.0208145 -0.204391 -0.0523393 0.0238558 -0.0980649 0.0607038 0.0383932 0.0378838 0.0522423 -0.0309599 0.0123347 -0.0059082 0.104152 -0.0110765 0.0780808 0.1133909 0.0111513 -0.0215955 -0.0378098 -0.0063298 -0.013012 -0.0609617 0.0606383 0.0108042 0.0474084 0.0059562 -0.034023 0.0551916 -0.2345885 -0.1001852 -0.0332105 -0.0817427 0.006981 -0.1399998 -0.0734 0.1076117 -0.0928676 0.0261532 0.0934405 0.0933461 0.0750651 -0.0712542 0.1310735 0.0056126 0.0731656 -0.0129027 0.1468653 -0.0134611 0.0733602 -0.0228256 0.0779393 -0.009903 -0.1112648 0.1228744 -0.1082362 0.0072459 0.0959031 0.0826749 0.063825 -0.0658936 0.0928466 0.0280492 0.0001758 0.0108268 -0.1991971 -0.1109037 -0.0164835 -0.0598367 0.0140449 -0.2009652 0.0940218 -0.0920576 0.0947419 0.0724071 0.0141849 -0.0639614 0.0112599 0.0331157 0.159182 0.0151934 0.0615674 0.0233566 0.1015398 -0.0268744 0.0628186 -0.0239546 0.1090865 0.1519696 -0.0386754 0.0674024 -0.040186 0.0502995 0.0651132 0.0645624 0.053398 0.1022177 0.2024521 0.0131614 0.0255013 0.0107017 0.1177131 -0.0112828 0.0226177 -0.0419878 0.1009644 0.1887028 0.0257117 0.0288577 0.0180253 0.0655625 -0.0554856 0.0337991 -0.0444936 0.0584815 262.4135855|-1.4772532|377.9669764|-39.4137293|-2.6698092|301.8353033 0.000005005 -0.000000896 0.000003446 -0.000002833 0.000000578 -0.000004099 -0.000009034 -0.000001691 -0.000001657 0.000000656 0.000001606 0.000005463 -0.000013258 0.000002230 0.000007956 0.000004500 -0.000003350 0.000004763 0.000002478 -0.000003770 0.000011281 -0.000001744 0.000002875 -0.000002149 0.000008676 -0.000002789 0.000002288 0.000002664 0.000004047 0.000001066 -0.000003699 0.000002672 -0.000005794 0.000001174 -0.000000197 0.000005640 -0.000001675 0.000000818 0.000006647 0.000001637 -0.000000141 -0.000007745 0.000005568 0.000002221 -0.000005411 -0.000001959 0.000001014 -0.000002042 0.000004096 0.000002953 -0.000004383 0.000000197 0.000000778 -0.000001202 -0.000002857 -0.000001599 -0.000002264 0.000007602 -0.000001769 0.000010433 -0.000002045 -0.000007740 -0.000001148 -0.000001806 -0.000006849 0.000003345 -0.000001581 0.000001833 0.000000166 0.000002916 0.000002767 -0.000003645 0.000000784 0.000003339 -0.000001807 -0.000003004 -0.000000791 -0.000003383 -0.000001763 0.000000443 -0.000005092 0.000001258 -0.000001637 0.000007538 -0.000000966 -0.000006046 0.000006507 -0.000000804 0.000002258 -0.000004748 -0.000002496 0.000001108 -0.000007332 -0.000004125 -0.000002506 -0.000001188 0.000006296 0.000004716 -0.000006509 0.000002002 0.000003289 -0.000008171 0.000001828 0.000005159 -0.000008502 0.000001304 0.000000450 0.000000587 -0.000006784 -0.000001557 -0.000004742 0.000002870 -0.000000333 0.000006494 -0.000001078 -0.000003495 0.000009393 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 9-Sep-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 111 C1[X(C15H17Cl2N3O2)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/propiconazole_RR/water/CONF19 #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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=1,70=32201,72=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction propiconazole_RR CONF194 water 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 35 35 16 16 14 14 14 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 34.9688527 34.9688527 15.9949146 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 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 3 0 0 2 2 2 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 14.2400000 14.2400000 5.6000000 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 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 624 A 602 A 602 962 624 89 89 2140.6779121892 39 39 39 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 -0.0468335011 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 5.381439 0.000000 4.602149 6.696929 0.000000 3.070744 6.775924 2.257512 0.000000 4.469124 8.235149 2.880388 2.846876 0.000000 5.764761 9.041597 3.158830 3.851299 1.362825 0.000000 5.984133 10.297712 4.523891 4.114603 2.193318 2.262168 0.000000 3.214212 6.103097 1.417214 1.414728 2.483411 3.335246 4.348231 0.000000 5.164439 7.362191 1.458337 2.328917 3.720045 3.969515 4.814363 2.351856 0.000000 4.173964 7.038047 2.329522 1.438238 3.895586 4.586028 4.899801 2.273756 1.531289 0.000000 6.184304 7.286110 2.432150 3.660652 5.112690 5.194483 6.252117 3.500431 1.523284 2.603025 0.000000 3.440245 6.804235 2.400766 2.417890 1.451979 2.468246 3.602321 1.537770 3.549521 3.594482 4.790839 0.000000 2.782874 4.562973 2.432718 2.447104 3.827710 4.687295 5.811319 1.541060 3.305662 3.058416 3.973199 2.525618 0.000000 7.301007 8.465941 3.821619 4.642656 6.225747 6.242929 6.973575 4.820073 2.575670 3.328465 1.535421 6.105718 5.359848 0.000000 1.767394 4.012062 3.753955 3.041255 4.572284 5.644965 6.462343 2.597039 4.474477 3.826344 5.174731 3.241794 1.401596 6.446321 0.000000 4.049861 4.015303 2.734852 3.577595 4.757316 5.331036 6.793132 2.535170 3.606504 3.776548 3.752417 3.498581 1.398198 5.200086 2.387743 0.000000 7.160629 8.527287 4.603387 4.719346 6.818212 7.081477 7.454788 5.252354 3.242037 3.281676 2.588215 6.646607 5.671045 1.532055 6.499703 5.699477 0.000000 2.681092 2.719565 4.864261 4.366862 5.897710 6.912881 7.839414 3.878742 5.560032 4.955336 5.989477 4.510311 2.444165 7.237322 1.392791 2.776363 7.232839 0.000000 4.545525 2.729505 4.117024 4.761597 6.042375 6.652966 8.116195 3.836616 4.878931 4.917567 4.796602 4.699192 2.443173 6.138126 2.780614 1.390355 6.514782 2.422177 0.000000 4.665358 9.087678 3.816219 3.074789 1.343776 2.210226 1.326621 3.300555 4.272424 4.124183 5.771955 2.510831 4.671739 6.665901 5.197965 5.771602 7.048917 6.571939 7.039108 0.000000 3.983797 1.761747 4.986775 5.058203 6.507255 7.328348 8.555970 4.341420 5.706025 5.395416 5.808842 5.093072 2.801262 7.082323 2.391904 2.387820 7.221572 1.388533 1.388193 7.361952 0.000000 6.479715 10.203513 4.124594 4.428793 2.094290 1.320811 1.362928 4.284681 4.590218 5.085989 5.877791 3.495306 5.743446 6.686201 6.616547 6.494656 7.433632 7.946948 7.842043 2.099063 8.467201 0.000000 5.840383 8.418914 2.061288 2.821351 3.590806 3.592656 4.228001 2.991800 1.094302 2.169855 2.163069 3.847887 4.207636 2.770588 5.358394 4.586894 3.535510 6.529188 5.903073 3.975697 6.738733 3.955999 0.000000 4.082270 6.309254 2.877121 2.085624 4.762459 5.511519 5.938546 2.717908 2.186235 1.094941 2.698775 4.189582 2.925554 3.387958 3.519944 3.475272 3.085080 4.424531 4.390827 5.068052 4.778877 6.117327 3.052289 0.000000 4.732624 7.982411 3.231045 2.048628 4.317024 4.980797 4.836532 3.186245 2.207071 1.087370 3.216250 4.305754 4.077276 3.495066 4.697161 4.859693 3.159639 5.837547 5.972031 4.223934 6.374857 5.210851 2.400947 1.789122 0.000000 6.769082 7.539301 2.537269 4.305839 5.201740 5.037044 6.404564 3.838163 2.117427 3.480805 1.094468 4.918474 4.319907 2.152519 5.640663 3.879884 3.502178 6.418956 4.919938 6.025585 6.094089 5.801605 2.517268 3.674395 4.139663 0.000000 5.832625 6.333353 2.730521 3.761195 5.540634 5.798409 6.915870 3.517473 2.144737 2.764824 1.095687 4.939149 3.547349 2.174090 4.639602 3.130356 2.801279 5.256782 3.969635 6.258597 4.954195 6.606310 3.057369 2.436916 3.538385 1.761521 0.000000 2.727601 6.655085 3.344730 2.731263 2.068080 3.275041 3.955137 2.169831 4.382461 4.097305 5.642000 1.087469 2.744132 6.929854 2.959624 3.907601 7.301816 4.195947 4.918671 2.711996 5.016174 4.128294 4.734213 4.578551 4.738420 5.873751 5.673426 0.000000 4.113762 6.649541 2.630215 3.341261 2.072594 2.586886 4.238801 2.148726 4.007309 4.346740 5.031841 1.088090 2.756417 6.450486 3.584337 3.355560 7.170364 4.657483 4.478979 3.330797 5.011422 3.819342 4.334650 4.855513 5.160529 4.941279 5.142011 1.769333 0.000000 7.768794 9.375161 4.045261 4.885164 6.100931 5.955204 6.543132 5.123985 2.772640 3.659711 2.159232 6.235752 5.923918 1.096431 7.059563 5.885783 2.163454 7.979559 6.947955 6.440420 7.910239 6.218903 2.517163 4.004262 3.629770 2.513828 3.070868 7.112970 6.603734 0.000000 8.127824 8.675117 4.542961 5.603713 7.101522 7.025116 7.930697 5.624538 3.478493 4.320365 2.138613 6.910518 6.000586 1.094771 7.111758 5.604127 2.149978 7.765031 6.393268 7.641576 7.427058 7.531458 3.712359 4.244386 4.563424 2.378497 2.530522 7.766184 7.132166 1.752814 0.000000 4.916140 4.865670 2.314690 3.812598 4.701199 5.008304 6.662875 2.693118 3.194685 3.797809 3.123613 3.644011 2.136489 4.618429 3.367390 1.080681 5.376854 3.857039 2.136438 5.802380 3.366467 6.182502 4.099922 3.649496 4.869504 3.006189 2.647946 4.307574 3.375465 5.243940 4.930202 0.000000 6.608467 8.661315 4.444803 4.110575 6.291764 6.668479 6.755701 4.896034 3.038112 2.710001 2.929982 6.223017 5.472514 2.192538 6.201896 5.768902 1.092879 7.063118 6.682597 6.346180 7.260996 6.904888 3.223478 2.683960 2.292310 3.931855 3.231870 6.797320 6.884777 2.509847 3.074573 5.564758 0.000000 6.869772 7.734132 4.774283 4.808901 7.151804 7.540965 8.026910 5.272153 3.584986 3.424651 2.816961 6.761572 5.389360 2.178510 6.091373 5.316323 1.094751 6.646956 5.937220 7.460885 6.560031 8.027724 4.150847 2.874321 3.501386 3.766753 2.585474 7.334213 7.253822 3.078500 2.541805 5.119325 1.767963 0.000000 8.189356 9.471067 5.629770 5.740433 7.771170 7.963966 8.229087 6.322830 4.240086 4.305729 3.522539 7.687530 6.764100 2.173776 7.572277 6.759861 1.093975 8.273448 7.528291 7.929835 8.236074 8.215927 4.375338 4.134311 4.030202 4.304420 3.780852 8.352036 8.215312 2.526518 2.446951 6.401414 1.760595 1.768137 0.000000 2.783243 2.862560 5.840721 5.064648 6.606525 7.711135 8.457546 4.748582 6.483413 5.718939 6.965532 5.257487 3.420444 8.148632 2.152961 3.857742 8.011659 1.081386 3.403269 7.152419 2.154325 8.685673 7.428163 5.162042 6.502656 7.453069 6.224500 4.759893 5.468497 8.895230 8.701040 4.938419 7.777967 7.385060 9.025514 0.000000 5.627326 2.879119 4.712762 5.661802 6.835190 7.294597 8.909536 4.688211 5.424538 5.661786 5.068751 5.543874 3.419933 6.349666 3.862630 2.153045 6.832314 3.403719 1.082024 7.902728 2.154240 8.515340 6.432228 5.111771 6.716922 5.038738 4.204185 5.861220 5.197478 7.197721 6.422531 2.467505 7.157424 6.220961 7.783160 4.299308 0.000000 4.055418 8.906420 4.276367 2.942364 2.129538 3.236353 2.152965 3.464951 4.631275 4.113571 6.148833 2.828316 4.663454 7.005528 4.915857 5.915991 7.170513 6.272316 7.093056 1.077919 7.223789 3.156137 4.477971 4.952579 4.125339 6.556673 6.515212 2.663172 3.797060 6.872886 8.024722 6.124404 6.375722 7.496558 8.056952 6.719415 8.039328 0.000000 7.550696 11.107092 4.860034 5.392728 3.134694 2.099360 2.153849 5.221465 5.234264 5.897437 6.385759 4.484858 6.675444 7.073062 7.622385 7.311825 7.924870 8.935109 8.665458 3.140648 9.379364 1.078802 4.467285 6.944130 5.967316 6.191472 7.209965 5.165188 4.676074 6.476369 7.849738 6.885285 7.451919 8.607444 8.622836 9.706836 9.263339 4.169182 0.000000 C15H17Cl2N3O2 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 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3091400 0.1605585 0.1252006 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= 602 RedAO= T EigKep= 2.00D-06 NBF= 602 NBsUse= 599 1.00D-06 EigRej= 6.89D-07 NBFU= 599 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= 616 616 616 616 616 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -1817.26275866296 -1817.26275866 1 1.811334583964e+03 -8.557000190736e+03 2.787764935910e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245932240 LenY= 4245542240 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. PT1523.900S Thu Sep 9 01:23:01 2021 GINC-BELVIS4 PAULAPLA 09-Sep-2021 0 Wavefunction propiconazole_RR CONF194 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1817.2627587 RMSD=2.356e-09 Dipole=-1.3632036,-1.3503936,-0.2268181 Quadrupole=13.3002766,-15.8781192,2.5778426,-6.0395293,-2.1060199,-3.7058367 PG=C01 [X(C15H17Cl2N3O2)] 0 1.9369680811 -0.57885963 -2.2128727335 0 0.5949545162 -5.4193850812 -0.2820189501 0 -0.7462091783 0.9750925744 1.1879461517 0 -0.1727746822 1.2771949427 -0.9745213977 0 1.5382976162 2.6882987627 0.8103380893 0 1.226004681 3.3115556514 1.9813703311 0 1.4654960704 4.8240064862 0.3162761482 0 0.2422536128 0.6523811903 0.2249850341 0 -1.9541208172 1.4410881555 0.5167191403 0 -1.6101609981 1.2297780611 -0.9604014696 0 -3.1570566637 0.680560716 1.0598000092 0 1.5858738573 1.2425710979 0.6844379902 0 0.3595915649 -0.8753794977 0.0605277414 0 -4.5197481605 1.2613732677 0.6557619439 0 1.0747110835 -1.4964320842 -0.9726082238 0 -0.2655052227 -1.7100380098 0.9919547943 0 -4.8859727788 1.090792306 -0.8220653109 0 1.1520646591 -2.8823128848 -1.0875789388 0 -0.2044092386 -3.0964909475 0.9076778778 0 1.6667563067 3.6041041156 -0.1646144282 0 0.5051405016 -3.6655887064 -0.1410100184 0 1.1993199741 4.5848774862 1.6313956955 0 -2.047274769 2.5089493446 0.7369262416 0 -1.9580929937 0.2560239244 -1.3204605816 0 -1.9717328654 2.0210616942 -1.6127131911 0 -3.0772385801 0.699072961 2.1511962085 0 -3.0829867203 -0.3676202736 0.7493798956 0 2.3713442899 0.9890329026 -0.0236181747 0 1.8375650823 0.8193135239 1.6547188684 0 -4.5507056929 2.324167121 0.9234767722 0 -5.283834456 0.7693585992 1.2661858881 0 -0.8206520409 -1.2558858948 1.8003051752 0 -4.2332157847 1.6710556029 -1.4790176266 0 -4.8175875443 0.0406933038 -1.1238837101 0 -5.9112153155 1.4250532748 -1.0062641587 0 1.7050510399 -3.334647764 -1.8993640278 0 -0.7019739727 -3.7154818532 1.6425632941 0 1.9121500844 3.3430737371 -1.1812533584 0 0.9875908189 5.3653070943 2.3454790977 Gaussian 16 9-Sep-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 111 C1[X(C15H17Cl2N3O2)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/propiconazole_RR/water/CONF19 #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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=1,70=32201,72=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6,53=1/2 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 propiconazole_RR CONF194 water 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 35 35 16 16 14 14 14 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 34.9688527 34.9688527 15.9949146 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 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 3 0 0 2 2 2 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 14.2400000 14.2400000 5.6000000 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 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 624 A 602 A 602 962 624 89 89 2140.6779121892 39 39 39 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 -0.0468335011 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 5.381439 0.000000 4.602149 6.696929 0.000000 3.070744 6.775924 2.257512 0.000000 4.469124 8.235149 2.880388 2.846876 0.000000 5.764761 9.041597 3.158830 3.851299 1.362825 0.000000 5.984133 10.297712 4.523891 4.114603 2.193318 2.262168 0.000000 3.214212 6.103097 1.417214 1.414728 2.483411 3.335246 4.348231 0.000000 5.164439 7.362191 1.458337 2.328917 3.720045 3.969515 4.814363 2.351856 0.000000 4.173964 7.038047 2.329522 1.438238 3.895586 4.586028 4.899801 2.273756 1.531289 0.000000 6.184304 7.286110 2.432150 3.660652 5.112690 5.194483 6.252117 3.500431 1.523284 2.603025 0.000000 3.440245 6.804235 2.400766 2.417890 1.451979 2.468246 3.602321 1.537770 3.549521 3.594482 4.790839 0.000000 2.782874 4.562973 2.432718 2.447104 3.827710 4.687295 5.811319 1.541060 3.305662 3.058416 3.973199 2.525618 0.000000 7.301007 8.465941 3.821619 4.642656 6.225747 6.242929 6.973575 4.820073 2.575670 3.328465 1.535421 6.105718 5.359848 0.000000 1.767394 4.012062 3.753955 3.041255 4.572284 5.644965 6.462343 2.597039 4.474477 3.826344 5.174731 3.241794 1.401596 6.446321 0.000000 4.049861 4.015303 2.734852 3.577595 4.757316 5.331036 6.793132 2.535170 3.606504 3.776548 3.752417 3.498581 1.398198 5.200086 2.387743 0.000000 7.160629 8.527287 4.603387 4.719346 6.818212 7.081477 7.454788 5.252354 3.242037 3.281676 2.588215 6.646607 5.671045 1.532055 6.499703 5.699477 0.000000 2.681092 2.719565 4.864261 4.366862 5.897710 6.912881 7.839414 3.878742 5.560032 4.955336 5.989477 4.510311 2.444165 7.237322 1.392791 2.776363 7.232839 0.000000 4.545525 2.729505 4.117024 4.761597 6.042375 6.652966 8.116195 3.836616 4.878931 4.917567 4.796602 4.699192 2.443173 6.138126 2.780614 1.390355 6.514782 2.422177 0.000000 4.665358 9.087678 3.816219 3.074789 1.343776 2.210226 1.326621 3.300555 4.272424 4.124183 5.771955 2.510831 4.671739 6.665901 5.197965 5.771602 7.048917 6.571939 7.039108 0.000000 3.983797 1.761747 4.986775 5.058203 6.507255 7.328348 8.555970 4.341420 5.706025 5.395416 5.808842 5.093072 2.801262 7.082323 2.391904 2.387820 7.221572 1.388533 1.388193 7.361952 0.000000 6.479715 10.203513 4.124594 4.428793 2.094290 1.320811 1.362928 4.284681 4.590218 5.085989 5.877791 3.495306 5.743446 6.686201 6.616547 6.494656 7.433632 7.946948 7.842043 2.099063 8.467201 0.000000 5.840383 8.418914 2.061288 2.821351 3.590806 3.592656 4.228001 2.991800 1.094302 2.169855 2.163069 3.847887 4.207636 2.770588 5.358394 4.586894 3.535510 6.529188 5.903073 3.975697 6.738733 3.955999 0.000000 4.082270 6.309254 2.877121 2.085624 4.762459 5.511519 5.938546 2.717908 2.186235 1.094941 2.698775 4.189582 2.925554 3.387958 3.519944 3.475272 3.085080 4.424531 4.390827 5.068052 4.778877 6.117327 3.052289 0.000000 4.732624 7.982411 3.231045 2.048628 4.317024 4.980797 4.836532 3.186245 2.207071 1.087370 3.216250 4.305754 4.077276 3.495066 4.697161 4.859693 3.159639 5.837547 5.972031 4.223934 6.374857 5.210851 2.400947 1.789122 0.000000 6.769082 7.539301 2.537269 4.305839 5.201740 5.037044 6.404564 3.838163 2.117427 3.480805 1.094468 4.918474 4.319907 2.152519 5.640663 3.879884 3.502178 6.418956 4.919938 6.025585 6.094089 5.801605 2.517268 3.674395 4.139663 0.000000 5.832625 6.333353 2.730521 3.761195 5.540634 5.798409 6.915870 3.517473 2.144737 2.764824 1.095687 4.939149 3.547349 2.174090 4.639602 3.130356 2.801279 5.256782 3.969635 6.258597 4.954195 6.606310 3.057369 2.436916 3.538385 1.761521 0.000000 2.727601 6.655085 3.344730 2.731263 2.068080 3.275041 3.955137 2.169831 4.382461 4.097305 5.642000 1.087469 2.744132 6.929854 2.959624 3.907601 7.301816 4.195947 4.918671 2.711996 5.016174 4.128294 4.734213 4.578551 4.738420 5.873751 5.673426 0.000000 4.113762 6.649541 2.630215 3.341261 2.072594 2.586886 4.238801 2.148726 4.007309 4.346740 5.031841 1.088090 2.756417 6.450486 3.584337 3.355560 7.170364 4.657483 4.478979 3.330797 5.011422 3.819342 4.334650 4.855513 5.160529 4.941279 5.142011 1.769333 0.000000 7.768794 9.375161 4.045261 4.885164 6.100931 5.955204 6.543132 5.123985 2.772640 3.659711 2.159232 6.235752 5.923918 1.096431 7.059563 5.885783 2.163454 7.979559 6.947955 6.440420 7.910239 6.218903 2.517163 4.004262 3.629770 2.513828 3.070868 7.112970 6.603734 0.000000 8.127824 8.675117 4.542961 5.603713 7.101522 7.025116 7.930697 5.624538 3.478493 4.320365 2.138613 6.910518 6.000586 1.094771 7.111758 5.604127 2.149978 7.765031 6.393268 7.641576 7.427058 7.531458 3.712359 4.244386 4.563424 2.378497 2.530522 7.766184 7.132166 1.752814 0.000000 4.916140 4.865670 2.314690 3.812598 4.701199 5.008304 6.662875 2.693118 3.194685 3.797809 3.123613 3.644011 2.136489 4.618429 3.367390 1.080681 5.376854 3.857039 2.136438 5.802380 3.366467 6.182502 4.099922 3.649496 4.869504 3.006189 2.647946 4.307574 3.375465 5.243940 4.930202 0.000000 6.608467 8.661315 4.444803 4.110575 6.291764 6.668479 6.755701 4.896034 3.038112 2.710001 2.929982 6.223017 5.472514 2.192538 6.201896 5.768902 1.092879 7.063118 6.682597 6.346180 7.260996 6.904888 3.223478 2.683960 2.292310 3.931855 3.231870 6.797320 6.884777 2.509847 3.074573 5.564758 0.000000 6.869772 7.734132 4.774283 4.808901 7.151804 7.540965 8.026910 5.272153 3.584986 3.424651 2.816961 6.761572 5.389360 2.178510 6.091373 5.316323 1.094751 6.646956 5.937220 7.460885 6.560031 8.027724 4.150847 2.874321 3.501386 3.766753 2.585474 7.334213 7.253822 3.078500 2.541805 5.119325 1.767963 0.000000 8.189356 9.471067 5.629770 5.740433 7.771170 7.963966 8.229087 6.322830 4.240086 4.305729 3.522539 7.687530 6.764100 2.173776 7.572277 6.759861 1.093975 8.273448 7.528291 7.929835 8.236074 8.215927 4.375338 4.134311 4.030202 4.304420 3.780852 8.352036 8.215312 2.526518 2.446951 6.401414 1.760595 1.768137 0.000000 2.783243 2.862560 5.840721 5.064648 6.606525 7.711135 8.457546 4.748582 6.483413 5.718939 6.965532 5.257487 3.420444 8.148632 2.152961 3.857742 8.011659 1.081386 3.403269 7.152419 2.154325 8.685673 7.428163 5.162042 6.502656 7.453069 6.224500 4.759893 5.468497 8.895230 8.701040 4.938419 7.777967 7.385060 9.025514 0.000000 5.627326 2.879119 4.712762 5.661802 6.835190 7.294597 8.909536 4.688211 5.424538 5.661786 5.068751 5.543874 3.419933 6.349666 3.862630 2.153045 6.832314 3.403719 1.082024 7.902728 2.154240 8.515340 6.432228 5.111771 6.716922 5.038738 4.204185 5.861220 5.197478 7.197721 6.422531 2.467505 7.157424 6.220961 7.783160 4.299308 0.000000 4.055418 8.906420 4.276367 2.942364 2.129538 3.236353 2.152965 3.464951 4.631275 4.113571 6.148833 2.828316 4.663454 7.005528 4.915857 5.915991 7.170513 6.272316 7.093056 1.077919 7.223789 3.156137 4.477971 4.952579 4.125339 6.556673 6.515212 2.663172 3.797060 6.872886 8.024722 6.124404 6.375722 7.496558 8.056952 6.719415 8.039328 0.000000 7.550696 11.107092 4.860034 5.392728 3.134694 2.099360 2.153849 5.221465 5.234264 5.897437 6.385759 4.484858 6.675444 7.073062 7.622385 7.311825 7.924870 8.935109 8.665458 3.140648 9.379364 1.078802 4.467285 6.944130 5.967316 6.191472 7.209965 5.165188 4.676074 6.476369 7.849738 6.885285 7.451919 8.607444 8.622836 9.706836 9.263339 4.169182 0.000000 C15H17Cl2N3O2 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 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3091400 0.1605585 0.1252006 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= 602 RedAO= T EigKep= 2.00D-06 NBF= 602 NBsUse= 599 1.00D-06 EigRej= 6.89D-07 NBFU= 599 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= 616 616 616 616 616 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -1817.26275866296 -1817.26275866 1 1.811334583964e+03 -8.557000190736e+03 2.787764935910e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245932240 LenY= 4245542240 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 5.0238 246.79 0.0025 0.000 88 90 -0.42913 89 90 0.13550 89 91 0.52380 -1817.07813647 2 Singlet-A 5.4790 226.29 0.1518 0.000 87 90 -0.23760 88 91 0.23700 89 90 0.59645 89 91 -0.12276 3 Singlet-A 5.6016 221.34 0.0106 0.000 86 90 0.24340 87 90 0.57577 88 90 0.15798 88 91 0.20960 89 90 0.16453 4 Singlet-A 5.7127 217.03 0.0324 0.000 86 91 0.23726 87 91 0.61444 88 91 0.14150 89 91 -0.13099 5 Singlet-A 5.7654 215.05 0.0024 0.000 89 92 0.52664 89 93 0.43703 6 Singlet-A 5.8462 212.08 0.0123 0.000 85 90 0.50551 86 90 -0.42421 87 90 0.18608 7 Singlet-A 5.9895 207.00 0.0340 0.000 85 91 0.41661 86 91 -0.40326 87 91 0.21391 88 91 -0.25931 89 90 0.11462 8 Singlet-A 6.0218 205.89 0.0020 0.000 88 92 0.51423 88 93 0.43779 9 Singlet-A 6.0311 205.57 0.4313 0.000 85 90 0.37381 86 90 0.22495 86 91 0.17254 87 90 -0.16678 88 90 0.33519 88 91 -0.15045 89 91 0.28607 10 Singlet-A 6.1003 203.24 0.2080 0.000 85 90 -0.18277 85 91 0.32595 86 90 -0.30861 88 90 0.30397 88 91 0.25666 89 90 -0.11836 89 91 0.25514 PT41830.600S Thu Sep 9 02:07:12 2021 GINC-BELVIS4 PAULAPLA 09-Sep-2021 0 Electronic spectrum propiconazole_RR CONF194 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1817.2627587 RMSD=2.820e-09 PG=C01 [X(C15H17Cl2N3O2)] 0 1.9369680811 -0.57885963 -2.2128727335 0 0.5949545162 -5.4193850812 -0.2820189501 0 -0.7462091783 0.9750925744 1.1879461517 0 -0.1727746822 1.2771949427 -0.9745213977 0 1.5382976162 2.6882987627 0.8103380893 0 1.226004681 3.3115556514 1.9813703311 0 1.4654960704 4.8240064862 0.3162761482 0 0.2422536128 0.6523811903 0.2249850341 0 -1.9541208172 1.4410881555 0.5167191403 0 -1.6101609981 1.2297780611 -0.9604014696 0 -3.1570566637 0.680560716 1.0598000092 0 1.5858738573 1.2425710979 0.6844379902 0 0.3595915649 -0.8753794977 0.0605277414 0 -4.5197481605 1.2613732677 0.6557619439 0 1.0747110835 -1.4964320842 -0.9726082238 0 -0.2655052227 -1.7100380098 0.9919547943 0 -4.8859727788 1.090792306 -0.8220653109 0 1.1520646591 -2.8823128848 -1.0875789388 0 -0.2044092386 -3.0964909475 0.9076778778 0 1.6667563067 3.6041041156 -0.1646144282 0 0.5051405016 -3.6655887064 -0.1410100184 0 1.1993199741 4.5848774862 1.6313956955 0 -2.047274769 2.5089493446 0.7369262416 0 -1.9580929937 0.2560239244 -1.3204605816 0 -1.9717328654 2.0210616942 -1.6127131911 0 -3.0772385801 0.699072961 2.1511962085 0 -3.0829867203 -0.3676202736 0.7493798956 0 2.3713442899 0.9890329026 -0.0236181747 0 1.8375650823 0.8193135239 1.6547188684 0 -4.5507056929 2.324167121 0.9234767722 0 -5.283834456 0.7693585992 1.2661858881 0 -0.8206520409 -1.2558858948 1.8003051752 0 -4.2332157847 1.6710556029 -1.4790176266 0 -4.8175875443 0.0406933038 -1.1238837101 0 -5.9112153155 1.4250532748 -1.0062641587 0 1.7050510399 -3.334647764 -1.8993640278 0 -0.7019739727 -3.7154818532 1.6425632941 0 1.9121500844 3.3430737371 -1.1812533584 0 0.9875908189 5.3653070943 2.3454790977 Gaussian 16 9-Sep-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 111 C1[X(C15H17Cl2N3O2)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/propiconazole_RR/water/CONF19 #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Wat 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=1,70=32201,72=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point propiconazole_RR CONF194 water 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 35 35 16 16 14 14 14 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 34.9688527 34.9688527 15.9949146 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 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 3 0 0 2 2 2 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 14.2400000 14.2400000 5.6000000 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 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 1159 A 1027 A 1027 1497 1159 89 89 2140.6779121892 39 39 39 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 -0.0468335011 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 5.381439 0.000000 4.602149 6.696929 0.000000 3.070744 6.775924 2.257512 0.000000 4.469124 8.235149 2.880388 2.846876 0.000000 5.764761 9.041597 3.158830 3.851299 1.362825 0.000000 5.984133 10.297712 4.523891 4.114603 2.193318 2.262168 0.000000 3.214212 6.103097 1.417214 1.414728 2.483411 3.335246 4.348231 0.000000 5.164439 7.362191 1.458337 2.328917 3.720045 3.969515 4.814363 2.351856 0.000000 4.173964 7.038047 2.329522 1.438238 3.895586 4.586028 4.899801 2.273756 1.531289 0.000000 6.184304 7.286110 2.432150 3.660652 5.112690 5.194483 6.252117 3.500431 1.523284 2.603025 0.000000 3.440245 6.804235 2.400766 2.417890 1.451979 2.468246 3.602321 1.537770 3.549521 3.594482 4.790839 0.000000 2.782874 4.562973 2.432718 2.447104 3.827710 4.687295 5.811319 1.541060 3.305662 3.058416 3.973199 2.525618 0.000000 7.301007 8.465941 3.821619 4.642656 6.225747 6.242929 6.973575 4.820073 2.575670 3.328465 1.535421 6.105718 5.359848 0.000000 1.767394 4.012062 3.753955 3.041255 4.572284 5.644965 6.462343 2.597039 4.474477 3.826344 5.174731 3.241794 1.401596 6.446321 0.000000 4.049861 4.015303 2.734852 3.577595 4.757316 5.331036 6.793132 2.535170 3.606504 3.776548 3.752417 3.498581 1.398198 5.200086 2.387743 0.000000 7.160629 8.527287 4.603387 4.719346 6.818212 7.081477 7.454788 5.252354 3.242037 3.281676 2.588215 6.646607 5.671045 1.532055 6.499703 5.699477 0.000000 2.681092 2.719565 4.864261 4.366862 5.897710 6.912881 7.839414 3.878742 5.560032 4.955336 5.989477 4.510311 2.444165 7.237322 1.392791 2.776363 7.232839 0.000000 4.545525 2.729505 4.117024 4.761597 6.042375 6.652966 8.116195 3.836616 4.878931 4.917567 4.796602 4.699192 2.443173 6.138126 2.780614 1.390355 6.514782 2.422177 0.000000 4.665358 9.087678 3.816219 3.074789 1.343776 2.210226 1.326621 3.300555 4.272424 4.124183 5.771955 2.510831 4.671739 6.665901 5.197965 5.771602 7.048917 6.571939 7.039108 0.000000 3.983797 1.761747 4.986775 5.058203 6.507255 7.328348 8.555970 4.341420 5.706025 5.395416 5.808842 5.093072 2.801262 7.082323 2.391904 2.387820 7.221572 1.388533 1.388193 7.361952 0.000000 6.479715 10.203513 4.124594 4.428793 2.094290 1.320811 1.362928 4.284681 4.590218 5.085989 5.877791 3.495306 5.743446 6.686201 6.616547 6.494656 7.433632 7.946948 7.842043 2.099063 8.467201 0.000000 5.840383 8.418914 2.061288 2.821351 3.590806 3.592656 4.228001 2.991800 1.094302 2.169855 2.163069 3.847887 4.207636 2.770588 5.358394 4.586894 3.535510 6.529188 5.903073 3.975697 6.738733 3.955999 0.000000 4.082270 6.309254 2.877121 2.085624 4.762459 5.511519 5.938546 2.717908 2.186235 1.094941 2.698775 4.189582 2.925554 3.387958 3.519944 3.475272 3.085080 4.424531 4.390827 5.068052 4.778877 6.117327 3.052289 0.000000 4.732624 7.982411 3.231045 2.048628 4.317024 4.980797 4.836532 3.186245 2.207071 1.087370 3.216250 4.305754 4.077276 3.495066 4.697161 4.859693 3.159639 5.837547 5.972031 4.223934 6.374857 5.210851 2.400947 1.789122 0.000000 6.769082 7.539301 2.537269 4.305839 5.201740 5.037044 6.404564 3.838163 2.117427 3.480805 1.094468 4.918474 4.319907 2.152519 5.640663 3.879884 3.502178 6.418956 4.919938 6.025585 6.094089 5.801605 2.517268 3.674395 4.139663 0.000000 5.832625 6.333353 2.730521 3.761195 5.540634 5.798409 6.915870 3.517473 2.144737 2.764824 1.095687 4.939149 3.547349 2.174090 4.639602 3.130356 2.801279 5.256782 3.969635 6.258597 4.954195 6.606310 3.057369 2.436916 3.538385 1.761521 0.000000 2.727601 6.655085 3.344730 2.731263 2.068080 3.275041 3.955137 2.169831 4.382461 4.097305 5.642000 1.087469 2.744132 6.929854 2.959624 3.907601 7.301816 4.195947 4.918671 2.711996 5.016174 4.128294 4.734213 4.578551 4.738420 5.873751 5.673426 0.000000 4.113762 6.649541 2.630215 3.341261 2.072594 2.586886 4.238801 2.148726 4.007309 4.346740 5.031841 1.088090 2.756417 6.450486 3.584337 3.355560 7.170364 4.657483 4.478979 3.330797 5.011422 3.819342 4.334650 4.855513 5.160529 4.941279 5.142011 1.769333 0.000000 7.768794 9.375161 4.045261 4.885164 6.100931 5.955204 6.543132 5.123985 2.772640 3.659711 2.159232 6.235752 5.923918 1.096431 7.059563 5.885783 2.163454 7.979559 6.947955 6.440420 7.910239 6.218903 2.517163 4.004262 3.629770 2.513828 3.070868 7.112970 6.603734 0.000000 8.127824 8.675117 4.542961 5.603713 7.101522 7.025116 7.930697 5.624538 3.478493 4.320365 2.138613 6.910518 6.000586 1.094771 7.111758 5.604127 2.149978 7.765031 6.393268 7.641576 7.427058 7.531458 3.712359 4.244386 4.563424 2.378497 2.530522 7.766184 7.132166 1.752814 0.000000 4.916140 4.865670 2.314690 3.812598 4.701199 5.008304 6.662875 2.693118 3.194685 3.797809 3.123613 3.644011 2.136489 4.618429 3.367390 1.080681 5.376854 3.857039 2.136438 5.802380 3.366467 6.182502 4.099922 3.649496 4.869504 3.006189 2.647946 4.307574 3.375465 5.243940 4.930202 0.000000 6.608467 8.661315 4.444803 4.110575 6.291764 6.668479 6.755701 4.896034 3.038112 2.710001 2.929982 6.223017 5.472514 2.192538 6.201896 5.768902 1.092879 7.063118 6.682597 6.346180 7.260996 6.904888 3.223478 2.683960 2.292310 3.931855 3.231870 6.797320 6.884777 2.509847 3.074573 5.564758 0.000000 6.869772 7.734132 4.774283 4.808901 7.151804 7.540965 8.026910 5.272153 3.584986 3.424651 2.816961 6.761572 5.389360 2.178510 6.091373 5.316323 1.094751 6.646956 5.937220 7.460885 6.560031 8.027724 4.150847 2.874321 3.501386 3.766753 2.585474 7.334213 7.253822 3.078500 2.541805 5.119325 1.767963 0.000000 8.189356 9.471067 5.629770 5.740433 7.771170 7.963966 8.229087 6.322830 4.240086 4.305729 3.522539 7.687530 6.764100 2.173776 7.572277 6.759861 1.093975 8.273448 7.528291 7.929835 8.236074 8.215927 4.375338 4.134311 4.030202 4.304420 3.780852 8.352036 8.215312 2.526518 2.446951 6.401414 1.760595 1.768137 0.000000 2.783243 2.862560 5.840721 5.064648 6.606525 7.711135 8.457546 4.748582 6.483413 5.718939 6.965532 5.257487 3.420444 8.148632 2.152961 3.857742 8.011659 1.081386 3.403269 7.152419 2.154325 8.685673 7.428163 5.162042 6.502656 7.453069 6.224500 4.759893 5.468497 8.895230 8.701040 4.938419 7.777967 7.385060 9.025514 0.000000 5.627326 2.879119 4.712762 5.661802 6.835190 7.294597 8.909536 4.688211 5.424538 5.661786 5.068751 5.543874 3.419933 6.349666 3.862630 2.153045 6.832314 3.403719 1.082024 7.902728 2.154240 8.515340 6.432228 5.111771 6.716922 5.038738 4.204185 5.861220 5.197478 7.197721 6.422531 2.467505 7.157424 6.220961 7.783160 4.299308 0.000000 4.055418 8.906420 4.276367 2.942364 2.129538 3.236353 2.152965 3.464951 4.631275 4.113571 6.148833 2.828316 4.663454 7.005528 4.915857 5.915991 7.170513 6.272316 7.093056 1.077919 7.223789 3.156137 4.477971 4.952579 4.125339 6.556673 6.515212 2.663172 3.797060 6.872886 8.024722 6.124404 6.375722 7.496558 8.056952 6.719415 8.039328 0.000000 7.550696 11.107092 4.860034 5.392728 3.134694 2.099360 2.153849 5.221465 5.234264 5.897437 6.385759 4.484858 6.675444 7.073062 7.622385 7.311825 7.924870 8.935109 8.665458 3.140648 9.379364 1.078802 4.467285 6.944130 5.967316 6.191472 7.209965 5.165188 4.676074 6.476369 7.849738 6.885285 7.451919 8.607444 8.622836 9.706836 9.263339 4.169182 0.000000 C15H17Cl2N3O2 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 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3091400 0.1605585 0.1252006 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= 1027 RedAO= T EigKep= 1.04D-06 NBF= 1027 NBsUse= 1024 1.00D-06 EigRej= 4.52D-07 NBFU= 1024 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= 1132 1132 1132 1132 1132 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -1817.26729614298 -1817.33270612048 -0.065409977495 -1817.33264408813 0.000062032343 -1817.33316163391 -0.000517545775 -1817.33319502895 -0.000033395038 -1817.33319891669 -0.000003887743 -1817.33319932540 -0.000000408713 -1817.33319935527 -0.000000029864 -1817.33319936010 -0.000000004835 -1817.33319936029 -0.000000000190 -1817.33319936037 -0.000000000075 -1817.33319936032 0.000000000042 -1817.33319936 12 1.811015872646e+03 -8.557126670704e+03 2.788139686499e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4244007872 LenY= 4242663432 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. PT39852.600S Thu Sep 9 02:47:28 2021 GINC-BELVIS4 PAULAPLA 09-Sep-2021 0 Single Point propiconazole_RR CONF194 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1817.3331994 RMSD=6.062e-09 Dipole=-1.3230142,-1.3158694,-0.2139687 Quadrupole=13.1072132,-15.8452558,2.7380426,-5.8405364,-2.0530405,-3.7136624 PG=C01 [X(C15H17Cl2N3O2)] 0 1.9369680811 -0.57885963 -2.2128727335 0 0.5949545162 -5.4193850812 -0.2820189501 0 -0.7462091783 0.9750925744 1.1879461517 0 -0.1727746822 1.2771949427 -0.9745213977 0 1.5382976162 2.6882987627 0.8103380893 0 1.226004681 3.3115556514 1.9813703311 0 1.4654960704 4.8240064862 0.3162761482 0 0.2422536128 0.6523811903 0.2249850341 0 -1.9541208172 1.4410881555 0.5167191403 0 -1.6101609981 1.2297780611 -0.9604014696 0 -3.1570566637 0.680560716 1.0598000092 0 1.5858738573 1.2425710979 0.6844379902 0 0.3595915649 -0.8753794977 0.0605277414 0 -4.5197481605 1.2613732677 0.6557619439 0 1.0747110835 -1.4964320842 -0.9726082238 0 -0.2655052227 -1.7100380098 0.9919547943 0 -4.8859727788 1.090792306 -0.8220653109 0 1.1520646591 -2.8823128848 -1.0875789388 0 -0.2044092386 -3.0964909475 0.9076778778 0 1.6667563067 3.6041041156 -0.1646144282 0 0.5051405016 -3.6655887064 -0.1410100184 0 1.1993199741 4.5848774862 1.6313956955 0 -2.047274769 2.5089493446 0.7369262416 0 -1.9580929937 0.2560239244 -1.3204605816 0 -1.9717328654 2.0210616942 -1.6127131911 0 -3.0772385801 0.699072961 2.1511962085 0 -3.0829867203 -0.3676202736 0.7493798956 0 2.3713442899 0.9890329026 -0.0236181747 0 1.8375650823 0.8193135239 1.6547188684 0 -4.5507056929 2.324167121 0.9234767722 0 -5.283834456 0.7693585992 1.2661858881 0 -0.8206520409 -1.2558858948 1.8003051752 0 -4.2332157847 1.6710556029 -1.4790176266 0 -4.8175875443 0.0406933038 -1.1238837101 0 -5.9112153155 1.4250532748 -1.0062641587 0 1.7050510399 -3.334647764 -1.8993640278 0 -0.7019739727 -3.7154818532 1.6425632941 0 1.9121500844 3.3430737371 -1.1812533584 0 0.9875908189 5.3653070943 2.3454790977