Gaussian 16 GINC-GASCONES ALCAMI Optimization Imiprothrin_RS CONF3 water EM64L-G16RevC.01 7-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 45 45 85 85 638 (5D, 7F) 6-311+G(d,p) 129 129 C1[X(C17H22N2O4)] C1[X(C17H22N2O4)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq 296.1928999999998 0 1 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;5;6;1;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9023,1.8311,-.9535;1.2212,1.1004,1.1338;-1.5309,2.162,2.0616;-1.6854,.8637,-2.3095;-1.3371,1.7351,-.195;-2.9415,.2453,-.4765;3.8828,-.1275,.1061;2.848,-1.1215,-.2829;2.6586,.3625,-.6435;5.153,-.1004,-.7125;4.1213,.2207,1.5545;1.9623,-1.7965,.6939;1.5598,1.1103,-.0253;.7747,-2.3129,.3662;-.0816,-3.0135,1.3735;.229,-2.2169,-1.0311;-.2287,2.5763,-.5432;-1.8671,1.5789,1.0595;-1.9767,.9144,-1.1325;-2.9638,.5578,.9285;-3.8188,-.7243,-1.0849;-3.71,-2.0377,-.4578;-3.6353,-3.109,.0803;3.0761,-1.7125,-1.1668;2.8185,.6016,-1.6879;4.9717,-.3601,-1.7562;5.6106,.8903,-.6884;5.8788,-.8119,-.3144;4.4811,1.2466,1.6478;3.2481,.1156,2.1912;4.8972,-.4341,1.9556;2.3138,-1.8919,1.7164;-.3523,-4.0162,1.0326;.4123,-3.1048,2.3408;-1.0221,-2.4753,1.5232;.7947,-2.8485,-1.7214;-.8084,-2.5461,-1.0806;.2792,-1.2003,-1.4258;-.0061,3.2248,.3028;-.4872,3.1951,-1.3984;-2.7454,-.3128,1.5535;-3.9212,.978,1.2455;-3.5752,-.7967,-2.1447;-4.8542,-.3812,-1.0229;-3.5706,-4.0617,.5581; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/alcami/opt-b3lyp-pople.com-6476447/Gau-3701860.inp" -scrdir="/temporal/alcami/opt-b3lyp-pople.com-6476447/" chk=opt-b3lyp-pople.chk #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 Imiprothrin_RS CONF3 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 40 41 42 43 44 45 16 16 16 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 1 2 3 4 5 5 5 6 6 6 7 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 14 14 15 15 15 16 16 16 17 17 18 20 20 21 21 21 22 23 13 17 13 18 19 17 18 19 19 20 21 8 9 10 11 9 12 24 13 25 26 27 28 29 30 31 14 32 15 16 33 34 35 36 37 38 39 40 20 41 42 22 43 44 23 45 1.3467 1.4152 1.2076 1.2071 1.2135 1.4343 1.3708 1.4006 1.345 1.4395 1.4421 1.4867 1.5168 1.5114 1.5087 1.5389 1.4813 1.0875 1.4658 1.0832 1.0907 1.0915 1.0916 1.0912 1.0858 1.0917 1.3359 1.0854 1.4963 1.5031 1.0931 1.09 1.0939 1.0934 1.0895 1.0917 1.089 1.0868 1.5042 1.0937 1.0925 1.4595 1.0898 1.0926 1.2012 1.0678 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 13 17 17 18 19 19 20 8 8 9 9 10 7 7 9 9 12 7 7 8 8 13 7 7 7 26 26 27 7 7 7 29 29 30 8 8 14 1 1 2 12 12 15 14 14 14 33 33 34 14 14 14 36 36 37 1 1 1 5 5 39 3 3 5 4 4 5 6 6 6 18 18 41 6 6 6 22 22 43 1 5 5 5 6 6 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 17 18 19 19 20 21 21 10 11 10 11 11 12 24 12 24 24 13 25 13 25 25 26 27 28 27 28 28 29 30 31 30 31 31 14 32 32 2 9 9 15 16 16 33 34 35 34 35 35 36 37 38 37 38 38 5 39 40 39 40 40 5 20 20 5 6 6 18 41 42 41 42 42 22 43 44 43 44 44 118.1784 125.9968 122.2769 111.6737 112.2831 124.4063 123.2492 117.0843 121.0357 113.8816 121.836 112.5176 123.249 115.4707 121.3558 111.0672 114.442 124.1511 115.3809 119.0359 114.8723 113.8693 111.982 110.897 110.4602 107.8752 107.7153 107.7459 110.5589 114.4229 109.0667 107.8213 107.3511 107.3464 123.0878 117.8854 119.0102 121.9388 110.3871 127.6525 121.6458 121.7435 116.6105 111.1781 112.1664 110.7181 108.1929 106.3274 108.0213 111.2349 111.6303 112.2659 106.8225 106.6091 107.9813 112.283 112.0478 105.1758 108.5813 109.9489 108.7123 126.6614 127.1005 106.2291 124.3386 128.6438 107.0134 102.7737 112.4459 112.3539 110.176 110.6445 108.3809 112.2383 108.5994 109.9619 109.9633 109.1974 106.7284 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A80 A81 A82 A83 21 22 21 22 22 23 22 23 23 45 23 45 2 7 2 7 -1 -1 -2 -2 180.0634 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 180.0957 178.5945 180.0214 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 17 17 13 13 13 18 18 18 19 19 19 17 17 19 19 17 17 18 18 20 20 21 21 19 19 19 21 21 21 19 19 19 20 20 20 10 10 11 11 10 10 11 11 8 8 8 9 9 9 11 11 11 8 8 8 9 9 9 10 10 10 12 12 24 24 7 7 9 9 24 24 7 7 8 8 25 25 8 8 32 32 12 12 12 16 16 16 12 12 12 15 15 15 3 3 3 5 5 5 1 1 1 1 1 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 12 12 12 12 14 14 14 14 14 14 14 14 14 14 14 14 18 18 18 18 18 18 13 13 17 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 9 9 9 9 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 20 20 20 20 20 20 2 9 5 39 40 1 39 40 1 39 40 3 20 3 20 4 6 4 6 4 5 4 5 18 41 42 18 41 42 22 43 44 22 43 44 12 24 12 24 13 25 13 25 26 27 28 26 27 28 26 27 28 29 30 31 29 30 31 29 30 31 13 25 13 25 14 32 14 32 14 32 1 2 1 2 1 2 15 16 15 16 33 34 35 33 34 35 36 37 38 36 37 38 6 41 42 6 41 42 -0.9852 177.4444 -69.6997 52.8137 170.7498 112.913 -11.5408 -130.3623 -64.2276 171.3185 52.497 3.4756 -177.5563 -179.1257 -0.1576 -2.0407 178.65 -179.5516 1.1391 179.0212 -1.7089 1.7965 -178.9336 1.5694 -116.8748 120.5243 178.8314 60.3872 -62.2137 120.7048 -1.0831 -117.5283 -56.2241 -178.012 65.5428 146.1296 -3.224 2.0628 -147.2908 -145.2804 4.3791 -5.1153 144.5442 32.5777 153.1373 -87.4779 -36.4961 84.0634 -156.5517 179.5987 -59.8417 59.5431 -150.6694 -28.7109 91.5148 -76.8735 45.0849 165.3106 63.7751 -174.2664 -54.0408 -1.3032 -141.4326 137.6323 -2.4971 156.4222 -25.0761 83.7321 -97.7663 -53.9421 124.5595 156.6287 -25.0545 -133.9394 44.3773 6.5669 -175.1163 178.6972 -1.4724 0.2116 -179.958 -125.5714 -4.2796 116.4676 54.5899 175.8817 -63.3711 69.9128 -170.8718 -49.4585 -110.2487 8.9668 130.3801 178.1591 -61.8145 58.0164 -0.8031 119.2233 -120.9458 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 661 A 638 A 1004 661 2069.0291938532 45 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= 638 RedAO= T EigKep= 1.23D-06 NBF= 638 NBsUse= 638 1.00D-06 EigRej= -1.00D+00 NBFU= 638 Berny optimization. local minimum Step number 43 out of a maximum of 238 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00100 0.00212 0.00377 0.00397 0.00583 0.00662 0.00903 0.01113 0.01230 0.01432 0.01449 0.01652 0.01962 0.02028 0.02111 0.02169 0.02575 0.02703 0.02788 0.03062 0.03606 0.03959 0.04286 0.04534 0.04815 0.05483 0.05493 0.05642 0.05815 0.05940 0.06063 0.06632 0.06868 0.07023 0.07152 0.07241 0.07403 0.07533 0.07901 0.08115 0.08259 0.08515 0.08671 0.08790 0.09469 0.10295 0.10477 0.11571 0.12065 0.13469 0.14796 0.15553 0.15874 0.15966 0.15985 0.15993 0.16000 0.16006 0.16013 0.16034 0.16047 0.16102 0.16133 0.16211 0.16268 0.16355 0.18032 0.18635 0.19434 0.22838 0.23326 0.23607 0.23967 0.24390 0.24606 0.24919 0.25140 0.25670 0.26398 0.26878 0.27266 0.29868 0.30537 0.31147 0.31516 0.31621 0.31991 0.33172 0.33422 0.34269 0.34336 0.34423 0.34506 0.34529 0.34584 0.34608 0.34623 0.34646 0.34680 0.34734 0.34773 0.34830 0.34857 0.34949 0.35127 0.35224 0.35309 0.35383 0.35571 0.35633 0.36152 0.36699 0.37531 0.37790 0.38333 0.39553 0.40887 0.43367 0.44384 0.46139 0.47055 0.52245 0.54214 0.60197 0.96322 0.98466 1.01557 1.03741 1.10399 -1.53586319e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 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 2.59438 2.71337 2.29551 2.29853 2.31065 2.72921 2.60833 2.67717 2.56073 2.75031 2.75704 2.82735 2.89479 2.87104 2.86581 2.94764 2.81583 2.05332 2.76961 2.04483 2.06513 2.06825 2.06867 2.06764 2.05452 2.06850 2.53341 2.05394 2.84453 2.84333 2.07155 2.06438 2.07248 2.07121 2.06552 2.05917 2.05538 2.05294 2.85580 2.06938 2.06299 2.76773 2.06179 2.06590 2.27207 2.01489 2.04795 2.20078 2.13766 1.94463 1.94888 2.15859 2.14490 2.04436 2.10621 1.99209 2.11194 1.97078 2.15504 2.00931 2.11759 1.92806 2.00438 2.16885 2.03029 2.06496 2.00592 1.98278 1.95040 1.93003 1.91936 1.88992 1.88716 1.88517 1.92168 1.97550 1.90444 1.88653 1.88131 1.89190 2.17009 2.04053 2.07257 2.12112 1.92506 2.23627 2.12664 2.14965 2.00663 1.93402 1.95579 1.92538 1.89424 1.85689 1.89431 1.92735 1.91789 1.97697 1.85021 1.89474 1.89199 1.95918 1.93983 1.82649 1.88843 1.91276 1.93729 2.21075 2.21701 1.85529 2.16727 2.24523 1.87040 1.79705 1.95303 1.96120 1.90989 1.93338 1.90692 1.97233 1.87921 1.89652 1.92592 1.91204 1.87496 3.12907 3.13416 3.12393 3.14955 -0.00389 3.09946 -1.30868 0.80904 2.90138 1.93767 -0.20926 -2.32389 -1.22183 2.91442 0.79979 0.03597 -3.12216 -3.08939 0.03566 0.03520 -3.08289 -3.12193 0.04316 3.05760 -0.10889 0.17408 -2.99241 0.12629 -1.92297 2.20725 3.01217 0.96291 -1.19006 1.80368 -0.32776 -2.35345 -1.05154 3.10021 1.07452 2.54516 -0.07358 0.02552 -2.59322 -2.55511 0.08675 -0.10991 2.53196 0.57813 2.68485 -1.51785 -0.63675 1.46997 -2.73273 -3.13869 -1.03197 1.04851 -2.67273 -0.55917 1.54897 -1.38611 0.72745 2.83559 1.06679 -3.10283 -0.99469 -0.02396 -2.44587 2.39823 -0.02368 2.61799 -0.52598 1.34832 -1.79564 -1.04514 2.09408 2.83248 -0.35055 -2.25227 0.84789 0.17870 -3.00432 3.13565 -0.03196 -0.00353 3.11204 -2.14513 -0.02644 2.08628 1.02049 3.13918 -1.03129 2.10730 -2.14089 -0.02204 -1.05868 0.97632 3.09517 3.03109 -1.17259 0.93091 -0.09389 1.98561 -2.19407 -0.00000 -0.00000 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 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 -0.00001 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 -0.00001 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 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 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 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00002 -0.00001 -0.00002 0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00001 -0.00002 -0.00002 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00001 -0.00002 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00002 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00005 0.00005 0.00005 0.00004 0.00005 0.00004 0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 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 -0.00001 -0.00001 0.00001 0.00000 0.00000 0.00002 -0.00000 0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00002 -0.00002 0.00002 0.00001 0.00002 0.00005 0.00006 0.00006 0.00001 0.00001 0.00001 -0.00004 -0.00003 0.00000 0.00001 0.00003 -0.00000 -0.00001 -0.00004 0.00003 0.00006 -0.00007 -0.00003 -0.00006 -0.00006 -0.00006 0.00004 0.00004 0.00004 -0.00003 -0.00004 -0.00003 -0.00014 -0.00015 -0.00014 0.00001 0.00003 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00007 -0.00007 -0.00007 -0.00006 -0.00006 -0.00006 -0.00005 -0.00005 -0.00005 0.00003 0.00004 0.00003 0.00002 0.00003 0.00002 0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00002 -0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00002 -0.00001 -0.00003 -0.00002 0.00009 0.00008 0.00008 0.00008 0.00007 0.00007 -0.00008 -0.00008 -0.00009 -0.00007 -0.00007 -0.00008 0.00003 0.00004 0.00004 0.00003 0.00003 0.00003 -0.00000 -0.00001 0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00001 0.00002 -0.00000 -0.00001 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 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 -0.00001 -0.00001 0.00001 0.00000 0.00000 0.00002 0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00002 -0.00002 0.00003 0.00001 0.00002 0.00006 0.00007 0.00007 0.00002 0.00003 0.00003 -0.00004 -0.00003 -0.00000 0.00001 0.00002 -0.00000 -0.00002 -0.00004 0.00004 0.00006 -0.00007 -0.00004 -0.00006 -0.00006 -0.00006 0.00005 0.00005 0.00005 -0.00004 -0.00004 -0.00004 -0.00015 -0.00016 -0.00016 0.00001 0.00003 -0.00002 -0.00000 0.00001 -0.00001 -0.00000 -0.00002 -0.00009 -0.00009 -0.00009 -0.00007 -0.00007 -0.00007 -0.00006 -0.00005 -0.00006 0.00003 0.00004 0.00004 0.00002 0.00002 0.00002 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00001 0.00003 -0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00002 -0.00002 -0.00002 0.00000 -0.00000 -0.00003 -0.00002 -0.00004 -0.00004 0.00011 0.00011 0.00011 0.00011 0.00010 0.00011 -0.00003 -0.00003 -0.00004 -0.00002 -0.00003 -0.00003 0.00004 0.00004 0.00004 0.00003 0.00003 0.00003 2.59438 2.71336 2.29551 2.29854 2.31066 2.72922 2.60832 2.67716 2.56071 2.75031 2.75704 2.82735 2.89481 2.87103 2.86580 2.94762 2.81584 2.05332 2.76961 2.04483 2.06513 2.06825 2.06868 2.06764 2.05452 2.06850 2.53341 2.05394 2.84453 2.84333 2.07155 2.06438 2.07248 2.07121 2.06551 2.05917 2.05538 2.05294 2.85581 2.06938 2.06299 2.76774 2.06179 2.06590 2.27207 2.01489 2.04794 2.20077 2.13766 1.94463 1.94888 2.15861 2.14491 2.04437 2.10621 1.99208 2.11193 1.97078 2.15504 2.00931 2.11759 1.92807 2.00436 2.16884 2.03029 2.06496 2.00594 1.98278 1.95040 1.93003 1.91936 1.88992 1.88716 1.88517 1.92168 1.97550 1.90445 1.88653 1.88131 1.89189 2.17008 2.04053 2.07257 2.12111 1.92506 2.23626 2.12664 2.14965 2.00663 1.93401 1.95579 1.92538 1.89424 1.85689 1.89431 1.92736 1.91788 1.97697 1.85021 1.89474 1.89199 1.95918 1.93983 1.82650 1.88843 1.91276 1.93729 2.21075 2.21701 1.85529 2.16727 2.24523 1.87040 1.79705 1.95303 1.96120 1.90989 1.93339 1.90691 1.97233 1.87921 1.89651 1.92592 1.91204 1.87496 3.12907 3.13417 3.12394 3.14954 -0.00391 3.09944 -1.30865 0.80905 2.90140 1.93773 -0.20919 -2.32382 -1.22182 2.91445 0.79982 0.03593 -3.12219 -3.08940 0.03567 0.03522 -3.08289 -3.12195 0.04312 3.05764 -0.10882 0.17401 -2.99245 0.12623 -1.92303 2.20719 3.01222 0.96295 -1.19001 1.80364 -0.32780 -2.35349 -1.05169 3.10006 1.07436 2.54517 -0.07355 0.02549 -2.59323 -2.55510 0.08674 -0.10991 2.53194 0.57804 2.68476 -1.51794 -0.63683 1.46990 -2.73280 -3.13875 -1.03203 1.04846 -2.67269 -0.55913 1.54901 -1.38609 0.72747 2.83561 1.06680 -3.10282 -0.99469 -0.02395 -2.44587 2.39824 -0.02368 2.61800 -0.52595 1.34832 -1.79563 -1.04515 2.09409 2.83246 -0.35057 -2.25228 0.84787 0.17871 -3.00432 3.13563 -0.03198 -0.00357 3.11201 -2.14502 -0.02634 2.08639 1.02060 3.13928 -1.03118 2.10727 -2.14092 -0.02208 -1.05870 0.97629 3.09514 3.03113 -1.17255 0.93096 -0.09386 1.98565 -2.19403 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000011 0.000002 0.000235 0.000056 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.745119e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 1 2 3 4 5 5 5 6 6 6 7 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 14 14 15 15 15 16 16 16 17 17 18 20 20 21 21 21 22 23 13 17 13 18 19 17 18 19 19 20 21 8 9 10 11 9 12 24 13 25 26 27 28 29 30 31 14 32 15 16 33 34 35 36 37 38 39 40 20 41 42 22 43 44 23 45 1.3729 1.4359 1.2147 1.2163 1.2227 1.4442 1.3803 1.4167 1.3551 1.4554 1.459 1.4962 1.5319 1.5193 1.5165 1.5598 1.4901 1.0866 1.4656 1.0821 1.0928 1.0945 1.0947 1.0941 1.0872 1.0946 1.3406 1.0869 1.5053 1.5046 1.0962 1.0924 1.0967 1.096 1.093 1.0897 1.0877 1.0864 1.5112 1.0951 1.0917 1.4646 1.0911 1.0932 1.2023 1.0662 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 13 17 17 18 19 19 20 8 8 9 9 10 7 7 9 9 12 7 7 8 8 13 7 7 7 26 26 27 7 7 7 29 29 30 8 8 14 1 1 2 12 12 15 14 14 14 33 33 34 14 14 14 36 36 37 1 1 1 5 5 39 3 3 5 4 4 5 6 6 6 18 18 41 6 6 6 22 22 43 1 5 5 5 6 6 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 17 18 19 19 20 21 21 10 11 10 11 11 12 24 12 24 24 13 25 13 25 25 26 27 28 27 28 28 29 30 31 30 31 31 14 32 32 2 9 9 15 16 16 33 34 35 34 35 35 36 37 38 37 38 38 5 39 40 39 40 40 5 20 20 5 6 6 18 41 42 41 42 42 22 43 44 43 44 44 117.3388 126.0956 122.4787 111.4189 111.6625 123.678 122.894 117.1334 120.6767 114.1386 121.0052 112.9172 123.4745 115.1248 121.329 110.4699 114.8423 124.266 116.3271 118.3134 114.931 113.605 111.7497 110.5825 109.9713 108.2847 108.1262 108.0124 110.1043 113.1876 109.1165 108.0901 107.7913 108.3978 124.3367 116.9136 118.7496 121.531 110.2978 128.1286 121.8475 123.1658 114.9715 110.8109 112.0583 110.3161 108.5322 106.3921 108.5359 110.429 109.8872 113.2718 106.0094 108.5605 108.4029 112.2527 111.144 104.6504 108.1993 109.5933 110.9983 126.6665 127.0255 106.3004 124.1757 128.6424 107.1659 102.9635 111.9001 112.3684 109.4286 110.7748 109.2582 113.0062 107.671 108.6625 110.347 109.5519 107.4271 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A80 A81 A82 21 22 21 22 23 22 23 45 23 2 7 2 -1 -1 -2 179.2826 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 179.5742 178.9882 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 17 17 13 13 13 18 18 18 19 19 19 17 17 19 19 17 17 18 18 20 20 21 21 19 19 19 21 21 21 19 19 19 20 20 20 10 10 11 11 10 10 11 11 8 8 8 9 9 9 11 11 11 8 8 8 9 9 9 10 10 10 12 12 24 24 7 7 9 9 24 24 7 7 8 8 25 25 8 8 32 32 12 12 12 16 16 16 12 12 12 15 15 15 3 3 3 5 5 1 1 1 1 1 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 12 12 12 12 14 14 14 14 14 14 14 14 14 14 14 14 18 18 18 18 18 13 13 17 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 9 9 9 9 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 20 20 20 20 20 2 9 5 39 40 1 39 40 1 39 40 3 20 3 20 4 6 4 6 4 5 4 5 18 41 42 18 41 42 22 43 44 22 43 44 12 24 12 24 13 25 13 25 26 27 28 26 27 28 26 27 28 29 30 31 29 30 31 29 30 31 13 25 13 25 14 32 14 32 14 32 1 2 1 2 1 2 15 16 15 16 33 34 35 33 34 35 36 37 38 36 37 38 6 41 42 6 41 -0.223 177.5862 -74.9818 46.3545 166.237 111.0201 -11.9898 -133.1493 -70.0059 166.9842 45.8247 2.0611 -178.8863 -177.0092 2.0434 2.017 -176.6365 -178.8735 2.4729 175.1875 -6.2387 9.974 -171.4522 7.2358 -110.1783 126.4659 172.5845 55.1704 -68.1853 103.343 -18.7792 -134.8429 -60.2487 177.6291 61.5655 145.827 -4.2157 1.4619 -148.5808 -146.3971 4.9705 -6.2973 145.0704 33.1243 153.8305 -86.9663 -36.4833 84.2229 -156.5739 -179.8339 -59.1278 60.0755 -153.1361 -32.0379 88.7494 -79.4182 41.6799 162.4673 61.1228 -177.779 -56.9917 -1.373 -140.1383 137.4086 -1.3566 149.9996 -30.1364 77.2533 -102.8826 -59.8819 119.9821 162.2889 -20.085 -129.0455 48.5806 10.239 -172.135 179.6597 -1.8313 -0.202 178.3069 -122.9069 -1.5149 119.5348 58.4699 179.8619 -59.0884 120.7392 -122.664 -1.2626 -60.658 55.9389 177.3402 173.6686 -67.1846 53.3374 -5.3796 113.7672 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0540787006 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 0 0 0 0 0 0 296.1928999999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;5;6;1;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9023,1.8311,-.9535;1.2212,1.1004,1.1338;-1.5309,2.162,2.0616;-1.6854,.8637,-2.3094;-1.3371,1.7351,-.195;-2.9415,.2453,-.4765;3.8828,-.1275,.1061;2.848,-1.1215,-.2829;2.6586,.3625,-.6435;5.153,-.1004,-.7125;4.1213,.2207,1.5545;1.9623,-1.7965,.6939;1.5598,1.1103,-.0253;.7747,-2.3129,.3662;-.0816,-3.0135,1.3735;.229,-2.2169,-1.0311;-.2287,2.5763,-.5432;-1.8671,1.5789,1.0595;-1.9767,.9144,-1.1325;-2.9638,.5578,.9285;-3.8187,-.7243,-1.0849;-3.71,-2.0377,-.4578;-3.6353,-3.109,.0803;3.0761,-1.7125,-1.1668;2.8185,.6016,-1.6878;4.9717,-.3601,-1.7562;5.6106,.8903,-.6884;5.8788,-.8119,-.3143;4.4811,1.2466,1.6478;3.2481,.1156,2.1912;4.8973,-.4341,1.9556;2.3137,-1.8919,1.7164;-.3524,-4.0162,1.0326;.4123,-3.1048,2.3408;-1.0221,-2.4753,1.5232;.7947,-2.8485,-1.7214;-.8084,-2.5461,-1.0806;.2792,-1.2003,-1.4258;-.0061,3.2248,.3028;-.4872,3.1951,-1.3984;-2.7454,-.3128,1.5535;-3.9212,.978,1.2456;-3.5752,-.7967,-2.1447;-4.8542,-.3812,-1.0229;-3.5706,-4.0617,.5581; 0.000000 2.234384 0.000000 3.888632 3.092230 0.000000 3.077429 4.512202 4.562427 0.000000 2.366343 2.951826 2.304831 2.313327 0.000000 4.185372 4.544470 3.479303 2.306497 2.207458 0.000000 3.720535 3.106179 6.194727 6.149988 5.550460 6.859301 0.000000 3.599055 3.096845 5.954242 5.347839 5.067823 5.951801 1.486684 0.000000 2.310282 2.401977 5.301711 4.679416 4.248632 5.603848 1.516813 1.538907 0.000000 4.675165 4.506661 7.582157 7.088278 6.764498 8.105352 1.511355 2.557432 2.537931 0.000000 4.387027 3.059725 5.997817 7.004436 5.928656 7.349135 1.508711 2.607541 2.644084 2.511351 0.000000 4.122720 3.022340 5.453658 5.422403 4.914076 5.439318 2.611375 1.481285 2.633397 3.877545 3.077501 0.000000 1.346676 1.207607 3.874844 3.976143 2.968431 4.605880 2.635443 2.589684 1.465798 3.853398 3.138235 3.021315 0.000000 4.350969 3.526950 5.311798 4.827242 4.600136 4.589674 3.808413 2.477756 3.424421 5.022803 4.362497 1.335863 3.533846 0.000000 5.463861 4.321958 5.418468 5.582942 5.156158 4.713972 5.064820 3.860855 4.793241 6.343466 5.306422 2.474031 4.653714 1.496283 0.000000 4.104359 4.083572 5.642407 3.845707 4.332446 4.052439 4.359938 2.935758 3.564648 5.369099 5.270451 2.481271 3.721948 1.503112 2.552065 0.000000 1.415224 2.663209 2.941554 2.859060 1.434334 3.577295 4.963546 4.817394 3.639693 6.012996 5.373301 5.044970 2.369883 5.073271 5.911117 4.839626 0.000000 3.432998 3.125975 1.207118 3.448847 1.370801 2.300532 6.073077 5.596986 4.986161 7.432477 6.160429 5.117719 3.624961 4.754618 4.937330 4.813794 2.499525 0.000000 3.026700 3.923888 3.458018 1.213481 1.400560 1.344979 6.078916 5.305073 4.693553 7.213772 6.699791 5.118592 3.710964 4.497972 5.029894 3.831480 2.482822 2.293202 0.000000 4.484451 4.225019 2.431160 3.494587 2.300967 1.439499 6.929839 6.169665 5.841335 8.307181 7.120763 5.464835 4.656039 4.747008 4.610822 4.661882 3.704164 1.504249 2.312877 0.000000 5.369875 5.801091 4.844085 2.927870 3.605408 1.442133 7.815914 6.726517 6.582707 9.001132 8.420479 6.142814 5.780794 5.072398 5.024965 4.314513 4.906646 3.703027 2.465913 2.535412 0.000000 6.040421 6.057822 5.360308 3.993210 4.464701 2.408926 7.849696 6.623985 6.808437 9.075866 8.395228 5.793083 6.153709 4.568094 4.179839 3.984543 5.780572 4.333433 3.489179 3.035643 1.459471 0.000000 6.786984 6.512614 6.011394 5.029438 5.368662 3.470233 8.087778 6.790811 7.224179 9.322828 8.568891 5.782098 6.693506 4.490415 3.782877 4.118722 6.656983 5.105105 4.517673 3.823036 2.660448 1.201159 0.000000 4.162688 4.079946 6.830740 5.533008 5.683891 6.365608 2.187088 1.087468 2.180356 2.668185 3.497965 2.170217 3.401488 2.829631 4.256398 2.894584 5.450152 6.342313 5.694899 6.784180 6.965749 6.830760 6.967644 0.000000 2.392190 3.280511 5.950695 4.554135 4.558765 5.896781 2.209650 2.223463 1.083202 2.625660 3.515046 3.486627 2.146362 4.109824 5.554449 3.883419 3.807213 5.518846 4.837325 6.346836 6.795175 7.148443 7.651565 2.386015 0.000000 4.691051 4.954991 7.951202 6.791275 6.828533 8.038902 2.169781 2.694561 2.666620 1.090719 3.467216 4.137987 4.098657 5.092461 6.509411 5.144627 6.094133 7.645760 7.091804 8.427546 8.823600 8.937171 9.220118 2.402086 2.359256 0.000000 4.808696 4.757273 7.757672 7.473978 7.016263 8.579036 2.156930 3.441484 2.999141 1.091488 2.774346 4.737028 4.110558 5.895641 7.203671 6.223650 6.079594 7.710069 7.600303 8.731889 9.574795 9.772416 10.103075 3.664343 2.979625 1.764045 0.000000 5.670995 5.239094 8.330321 8.000389 7.653216 8.884992 2.151588 3.046809 3.443500 1.091648 2.765483 4.162359 4.736262 5.363616 6.574447 5.865880 6.988187 8.222111 8.084477 9.034043 9.728555 9.667958 9.795494 3.064870 3.640117 1.762379 1.763344 0.000000 4.462782 3.303472 6.095405 7.337058 6.122609 7.785309 2.150152 3.464526 3.058319 2.799420 1.091188 4.063833 3.369232 5.296275 6.248455 6.103527 5.362012 6.384049 7.038725 7.511280 8.957671 9.072761 9.343720 4.318894 3.782434 3.795984 2.619241 3.168796 0.000000 4.281935 2.489243 5.200306 6.719738 5.416704 6.741274 2.193138 2.794999 2.905890 3.479510 1.085809 2.747947 2.958459 3.917425 4.641921 4.993873 5.061626 5.439369 6.243658 6.354361 7.834431 7.750426 7.888936 3.827294 3.932917 4.333536 3.804440 3.749557 1.759232 0.000000 5.436378 4.067419 6.933437 7.950270 6.942489 8.235500 2.131665 3.111789 3.521627 2.701063 1.091667 3.473011 4.177041 4.801209 5.637521 5.821629 6.448450 7.114183 7.655461 7.989729 9.235671 9.081913 9.136553 3.834159 4.320763 3.713332 3.042009 2.501812 1.758673 1.754289 0.000000 4.793906 3.238371 5.597717 6.308269 5.489753 6.082308 2.858012 2.208243 3.281874 4.143750 2.785071 1.085428 3.551768 2.090231 2.667131 3.464184 5.615565 5.473338 5.865098 5.871525 6.842377 6.405797 6.288855 2.987710 4.249871 4.633627 4.938917 4.242676 3.814786 2.264631 2.976035 0.000000 6.301590 5.354078 6.373232 6.063000 5.962756 5.209782 5.823839 4.511324 5.572132 6.977698 6.183680 3.224857 5.572855 2.148384 1.093117 2.798944 6.779328 5.796643 5.624673 5.268074 5.228422 4.172504 3.536650 4.679567 6.227307 7.034944 7.911534 7.135093 7.172082 5.601595 6.421980 3.476861 0.000000 5.954516 4.449165 5.620772 6.463354 5.737230 5.514447 5.089476 4.092688 5.096535 6.389341 5.043216 2.612776 4.968151 2.158167 1.090006 3.491676 6.403388 5.364231 5.824564 5.177655 5.941764 5.095581 4.636126 4.619271 5.979762 6.716213 7.222126 6.495397 5.997544 4.293613 5.234066 2.340184 1.768342 0.000000 5.327516 4.239034 4.696045 5.126207 4.558369 3.883889 5.619465 4.480206 5.127903 6.983589 5.807255 3.170983 4.681941 2.143252 1.093887 2.855911 5.515211 4.167216 4.410652 3.650166 4.205865 3.367599 3.051635 4.961134 5.876064 7.152239 7.759565 7.332554 6.644822 5.039196 6.276307 3.391982 1.750372 1.767046 0.000000 4.743440 4.891648 6.695155 4.503037 5.280543 5.008074 4.503371 3.044335 3.866145 5.250294 5.587387 2.881689 4.374297 2.155319 3.220820 1.093400 5.644809 5.866951 4.710268 5.722900 5.118707 4.748307 4.789453 2.608231 4.000069 4.862247 6.183784 5.654785 6.458483 5.487652 6.015095 3.878353 3.203688 4.088269 3.737310 0.000000 4.701333 4.724345 5.706235 3.729079 4.403664 3.564664 5.409747 4.004366 4.546581 6.454136 6.237103 3.374560 4.482330 2.157257 2.601747 1.089524 5.182971 4.766187 3.652712 4.279744 3.518658 3.010897 3.107366 3.973859 4.840600 6.216545 7.291535 6.950838 7.057479 5.851883 6.799535 4.242533 2.614306 3.675381 2.613455 1.752746 0.000000 3.130642 3.568214 5.171448 2.983427 3.569888 3.655693 4.060004 2.812644 2.952304 5.047063 5.065945 2.771528 2.990043 2.166700 3.354688 1.091673 3.911471 4.302060 3.105958 4.376186 4.139560 4.189507 4.608107 2.855144 3.124696 4.778613 5.773942 5.722091 5.752461 4.860951 5.774741 3.806733 3.790992 4.222836 3.466318 1.752042 1.764417 0.000000 2.084633 2.590283 2.559001 3.901068 2.058775 4.254569 5.138073 5.232451 4.023464 6.221191 5.256115 5.407405 2.651556 5.592820 6.329976 5.607687 1.088957 2.597073 3.358751 4.031447 5.661897 6.480043 7.303228 6.002991 4.338365 6.470634 6.162721 7.162951 5.084969 4.880817 6.337352 5.793107 7.285910 6.662757 5.917117 6.451620 5.988325 4.759284 0.000000 1.997292 3.703800 3.758785 2.775085 2.074137 3.946491 5.692132 5.567840 4.299944 6.568316 6.229412 5.940832 3.228356 5.919849 6.811392 5.471549 1.086768 3.249195 2.736944 4.301534 5.153541 6.217164 7.199887 6.069220 4.211611 6.524403 6.557423 7.599890 6.144921 6.026671 7.308443 6.589760 7.611245 7.381052 6.401168 6.186535 5.758952 4.461851 1.768114 0.000000 4.917993 4.231603 2.803106 4.174886 3.038762 2.114407 6.786884 5.942357 5.872435 8.219719 6.887377 5.010193 4.801290 4.219123 3.797605 4.376324 4.367610 2.143354 3.051446 1.093746 2.877915 2.819748 3.283428 6.576320 6.503724 8.397000 8.734715 8.838248 7.393417 6.042469 7.654140 5.302318 4.439965 4.287927 2.765304 5.448542 3.959457 4.337233 4.645663 5.110555 0.000000 5.369377 5.145057 2.789494 4.201183 3.053858 2.112370 7.963887 7.250247 6.873245 9.345506 8.084038 6.528216 5.628033 5.801305 5.539944 5.710923 4.403260 2.148321 3.072555 1.092545 2.887762 3.469897 4.259424 7.875297 7.360034 9.480812 9.726436 10.083573 8.416257 7.282634 8.959006 6.879877 6.142016 6.053802 4.517413 6.759051 5.245882 5.433663 4.611438 4.868096 1.773008 0.000000 5.326532 6.111652 5.534057 2.520966 3.901298 2.066423 7.818920 6.695422 6.515936 8.872289 8.599761 6.302467 5.873398 5.246448 5.431125 4.210592 5.013989 4.339156 2.550964 3.413626 1.089848 2.098557 3.209512 6.784845 6.560714 8.566881 9.452270 9.629604 9.135765 8.135689 9.419473 7.126527 5.554036 6.430242 4.773832 4.846126 3.442066 3.941578 5.907671 5.101646 3.820888 3.842258 0.000000 6.167340 6.614838 5.198638 3.639521 4.187335 2.085486 8.813281 7.772949 7.559030 10.015941 9.357630 7.170410 6.660280 6.111101 5.953913 5.404501 5.511012 4.135376 3.157617 2.874534 1.092561 2.091030 3.184873 8.042504 7.763880 9.853267 10.547048 10.765012 9.845311 8.730626 10.196316 7.820821 6.140434 6.816816 5.054960 6.203647 4.588922 5.213913 6.185820 5.656956 3.330075 2.804201 1.751264 0.000000 7.550994 7.066843 6.719773 6.003066 6.257711 4.474005 8.440142 7.109890 7.734413 9.664808 8.859926 5.980227 7.308333 4.687962 3.733169 4.512849 7.512922 5.913606 5.491860 4.673930 3.728201 2.268978 1.067820 7.257573 8.222631 9.593218 10.505759 10.030691 9.705503 8.161624 9.317590 6.377751 3.253374 4.467417 3.153286 5.071853 3.551332 5.190799 8.115679 8.123842 3.965660 5.098457 4.238603 4.206362 0.000000 C17H22N2O4 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 296.1928999999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;5;6;1;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.8673,-1.9032,-.9091;-1.2789,-1.0701,1.1229;1.3743,-2.1827,2.2561;1.828,-1.086,-2.1492;1.3267,-1.8501,-.0241;2.9982,-.43,-.273;-3.8301,.2011,-.1116;-2.7388,1.1409,-.4805;-2.5835,-.3633,-.766;-5.0512,.181,-1.002;-4.1643,-.074,1.3336;-1.8867,1.828,.5176;-1.5504,-1.1199,-.0528;-.6641,2.2886,.2391;.1579,3.0036,1.2648;-.0427,2.112,-1.118;.2101,-2.6676,-.4014;1.7888,-1.6566,1.2518;2.0489,-1.0942,-.9561;2.928,-.6803,1.1428;3.944,.4811,-.869;3.8475,1.824,-.3056;3.7813,2.9201,.1813;-2.8937,1.6995,-1.4006;-2.6916,-.6429,-1.8069;-4.8006,.3878,-2.0433;-5.5454,-.7914,-.9631;-5.7721,.9339,-.678;-4.5663,-1.0819,1.4488;-3.326,.0293,2.0158;-4.9375,.6241,1.66;-2.2928,1.9807,1.5126;.4844,3.9803,.8983;-.3873,3.1546,2.1965;1.0678,2.4407,1.4925;-.544,2.7312,-1.8668;1.0073,2.403,-1.12;-.1073,1.0812,-1.4716;-.0846,-3.2699,.4567;.4946,-3.3323,-1.2127;2.7059,.2241,1.7163;3.8495,-1.1184,1.5335;3.7647,.5146,-1.9434;4.9608,.106,-.7313;3.7242,3.8948,.6136; 0.3960447 0.1974750 0.1641062 -19.17985 -19.12893 -19.11971 -19.11881 -14.38026 -14.36665 -10.32451 -10.31139 -10.30862 -10.27484 -10.23888 -10.22574 -10.19304 -10.18518 -10.18502 -10.18361 -10.17428 -10.17268 -10.15413 -10.15399 -10.15307 -10.15230 -10.15174 -1.13341 -1.10249 -1.07539 -1.03944 -1.00592 -0.95053 -0.88900 -0.81396 -0.80749 -0.77010 -0.75317 -0.73459 -0.72108 -0.69669 -0.68900 -0.68612 -0.65518 -0.64686 -0.60715 -0.57058 -0.55432 -0.55043 -0.54133 -0.52840 -0.51872 -0.50633 -0.50162 -0.49424 -0.48606 -0.47851 -0.47113 -0.46965 -0.45706 -0.45469 -0.44678 -0.44225 -0.43525 -0.43298 -0.42599 -0.42171 -0.41076 -0.40385 -0.40073 -0.38619 -0.38213 -0.38099 -0.37374 -0.36513 -0.36159 -0.34997 -0.34158 -0.32918 -0.31656 -0.31186 -0.30100 -0.29940 -0.29279 -0.29079 -0.28918 -0.28300 -0.26987 -0.23101 -0.02836 -0.01929 0.00039 0.00874 0.01080 0.01434 0.01913 0.02137 0.02686 0.03004 0.03214 0.03622 0.03777 0.04098 0.04819 0.05111 0.05293 0.05547 0.05856 0.06435 0.06831 0.06890 0.07004 0.07460 0.07719 0.08300 0.08647 0.09207 0.09491 0.10233 0.10317 0.10593 0.10993 0.11376 0.11463 0.11553 0.11887 0.12355 0.12572 0.13133 0.13287 0.13850 0.14034 0.14511 0.14882 0.15129 0.15445 0.15612 0.15839 0.15964 0.16294 0.16605 0.17043 0.17115 0.17412 0.17697 0.18017 0.18444 0.18604 0.18629 0.19057 0.19240 0.19584 0.19688 0.19806 0.20299 0.20771 0.20847 0.20994 0.21553 0.21713 0.21888 0.22052 0.22292 0.22656 0.22914 0.23309 0.23505 0.23686 0.24066 0.24285 0.24397 0.24746 0.25146 0.25482 0.25753 0.26094 0.26232 0.26307 0.26537 0.26895 0.27162 0.27537 0.27837 0.28143 0.28524 0.28666 0.28819 0.29144 0.29295 0.30386 0.30557 0.30745 0.30832 0.31227 0.31664 0.32137 0.32390 0.32784 0.32918 0.33700 0.33801 0.34225 0.34535 0.34963 0.35774 0.35842 0.36032 0.36246 0.36877 0.37185 0.37611 0.37870 0.38528 0.38556 0.39053 0.39682 0.40810 0.41221 0.41520 0.42226 0.42478 0.42872 0.43296 0.44243 0.44778 0.44858 0.45041 0.45512 0.47086 0.47137 0.47841 0.48196 0.49315 0.49966 0.50156 0.51002 0.52261 0.52698 0.52974 0.53526 0.55487 0.56056 0.56885 0.57307 0.57532 0.58270 0.58696 0.59301 0.59900 0.60046 0.60853 0.60971 0.61683 0.62424 0.63214 0.63672 0.64889 0.65491 0.65800 0.66250 0.66476 0.67022 0.67245 0.67995 0.68447 0.68547 0.68887 0.69200 0.69608 0.70222 0.70562 0.70736 0.71242 0.71393 0.71587 0.72232 0.72532 0.72870 0.73278 0.73547 0.74410 0.74695 0.74905 0.75323 0.76044 0.76690 0.77286 0.77467 0.78005 0.78298 0.79160 0.79621 0.80537 0.80620 0.82085 0.82272 0.82582 0.84149 0.84969 0.87205 0.87385 0.88564 0.89409 0.89947 0.91122 0.92177 0.92876 0.94076 0.94441 0.95620 0.96870 0.98565 0.99415 1.00288 1.00546 1.01041 1.02216 1.04232 1.04562 1.06065 1.06720 1.07079 1.08951 1.09534 1.09999 1.10428 1.11533 1.12520 1.13049 1.13991 1.15710 1.16221 1.17821 1.18185 1.18418 1.19231 1.20694 1.21764 1.22463 1.23203 1.23919 1.24640 1.25796 1.26716 1.28009 1.28761 1.28852 1.29971 1.30588 1.31158 1.31807 1.32967 1.34481 1.35506 1.36979 1.37185 1.38210 1.38904 1.40221 1.41627 1.42213 1.43219 1.43491 1.45049 1.45388 1.45859 1.46088 1.47573 1.48041 1.48882 1.49174 1.50463 1.50932 1.51484 1.52623 1.53066 1.54298 1.55033 1.56025 1.57219 1.57829 1.59090 1.59722 1.60231 1.60324 1.61251 1.62164 1.62524 1.62847 1.63421 1.63799 1.64468 1.65427 1.66356 1.66415 1.67255 1.67498 1.68619 1.69096 1.70061 1.70388 1.70566 1.71685 1.72214 1.73180 1.73589 1.73925 1.75715 1.76569 1.77238 1.78637 1.78932 1.79343 1.80084 1.80838 1.82055 1.82279 1.82894 1.83901 1.84540 1.85422 1.85780 1.85950 1.88427 1.90117 1.90164 1.90869 1.91770 1.92758 1.93244 1.94717 1.95661 1.96242 1.97706 1.98954 1.99525 1.99674 2.01132 2.01940 2.02602 2.03427 2.05597 2.06667 2.08107 2.09227 2.09955 2.11472 2.12554 2.13928 2.14276 2.14857 2.15451 2.16045 2.18087 2.18806 2.19364 2.20427 2.21970 2.23304 2.24685 2.25289 2.25721 2.28379 2.31458 2.33162 2.35056 2.36297 2.39700 2.41672 2.42468 2.43620 2.44661 2.45868 2.46497 2.48351 2.49313 2.49908 2.50968 2.51529 2.52737 2.53108 2.53582 2.53974 2.54316 2.55239 2.56077 2.56628 2.57500 2.57878 2.58274 2.59148 2.60263 2.62248 2.62599 2.63546 2.64212 2.65057 2.65317 2.66981 2.67192 2.67669 2.68743 2.69635 2.71435 2.72162 2.72477 2.74200 2.75377 2.75505 2.76735 2.77207 2.78800 2.79184 2.80960 2.81790 2.82415 2.83136 2.84797 2.85727 2.86482 2.87821 2.88315 2.89408 2.90580 2.90635 2.92153 2.92704 2.93482 2.93992 2.94940 2.95341 2.97004 2.97731 2.99310 2.99480 2.99813 3.00486 3.02001 3.02258 3.02792 3.03767 3.05194 3.05703 3.07765 3.09518 3.11331 3.13637 3.14988 3.18577 3.18837 3.20099 3.22575 3.25541 3.25812 3.27732 3.29954 3.34462 3.35550 3.35717 3.38026 3.40315 3.40669 3.43581 3.49619 3.50213 3.52616 3.54819 3.57254 3.57832 3.62034 3.62995 3.63492 3.65932 3.69732 3.72894 3.73979 3.77042 3.79513 3.81084 3.81624 3.82963 3.83400 3.83813 3.85763 3.86621 3.87197 3.87868 3.88102 3.92683 3.97111 3.97760 4.00744 4.07987 4.10123 4.13289 4.15214 4.17111 4.18207 4.30461 4.33563 4.34895 4.59180 4.64433 4.72265 4.92739 4.98148 5.08361 5.09497 5.10896 5.12967 5.15758 5.23591 5.32831 5.37703 5.43091 5.69425 5.77967 5.86369 5.92840 23.58159 23.74582 23.84880 23.85898 23.87948 23.88949 23.89878 23.91330 23.92178 23.93808 23.96963 23.98801 24.01541 24.01987 24.02638 24.29570 25.13980 35.51604 35.62492 49.92751 50.01630 50.05344 50.07470 1-A. 2.7491 2.7049 -1.6228 4.1842 -106.5600 -129.4934 -156.4234 1.1110 8.4099 8.3181 24.2656 1.3322 -25.5978 1.1110 8.4099 8.3181 49.3338 -21.1067 -8.4997 20.6294 -16.8371 1.0527 -19.2713 36.3091 -10.4971 8.9369 -5594.2682 -2293.3578 -1267.6664 -118.3753 18.7531 113.6107 105.4053 22.0699 39.5488 -1407.6411 -1195.8406 -676.9853 11.5999 23.4164 23.1650 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 296.1928999999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;5;6;1;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.8897,1.7392,-1.03;1.3155,1.1949,1.1211;-1.4953,2.0032,2.0375;-1.8311,.85,-2.4006;-1.3686,1.6326,-.2508;-3.097,.2535,-.5453;3.9517,-.1375,.1244;2.9001,-1.1396,-.2341;2.7238,.3538,-.6485;5.2331,-.1558,-.6917;4.1775,.264,1.5693;1.9982,-1.7779,.7657;1.6233,1.1156,-.0513;.7501,-2.1908,.5032;-.1107,-2.8366,1.5557;.0918,-2.0201,-.8389;-.2629,2.4878,-.6141;-1.8723,1.4511,1.0214;-2.0919,.8771,-1.2063;-2.9974,.4503,.8933;-3.9558,-.7599,-1.1488;-3.6139,-2.1218,-.7323;-3.3294,-3.2313,-.3667;3.1233,-1.7515,-1.1038;2.8686,.555,-1.7018;5.0483,-.4444,-1.7294;5.7052,.8316,-.6888;5.941,-.8707,-.2602;4.5913,1.2757,1.6182;3.2694,.2415,2.1667;4.9053,-.4174,2.0211;2.3933,-1.9127,1.7693;-.4426,-3.8299,1.2319;.4138,-2.9393,2.5085;-1.0194,-2.245,1.72;-.1961,-2.9942,-1.2505;-.8363,-1.4533,-.7284;.7224,-1.509,-1.5659;-.0313,3.1238,.2373;-.5323,3.0825,-1.4824;-2.7242,-.4735,1.414;-3.9192,.8468,1.3232;-3.8723,-.6622,-2.2323;-4.9933,-.5446,-.8796;-3.0681,-4.2151,-.0496; 0.000000 2.259351 0.000000 3.894523 3.064952 0.000000 3.173593 4.735232 4.597792 0.000000 2.391254 3.045980 2.321573 2.334149 0.000000 4.282055 4.809771 3.506858 2.323933 2.230795 0.000000 3.772379 3.117419 6.157332 6.386811 5.619578 7.091274 0.000000 3.600400 3.130056 5.861456 5.571031 5.089904 6.164663 1.496172 0.000000 2.329992 2.412894 5.266475 4.905366 4.305909 5.822573 1.531858 1.559825 0.000000 4.750900 4.523049 7.575041 7.337203 6.853833 8.341462 1.519288 2.572962 2.560923 0.000000 4.443195 3.042725 5.951836 7.225352 5.995351 7.575600 1.516520 2.617938 2.653252 2.530307 0.000000 4.101617 3.070803 5.302686 5.620929 4.898995 5.639748 2.630243 1.490074 2.659017 3.901216 3.092544 0.000000 1.372888 1.214732 3.857044 4.185971 3.042758 4.823782 2.650051 2.598009 1.465615 3.880369 3.142509 3.029930 0.000000 4.220835 3.487827 4.998584 4.933695 4.435805 4.677022 3.822297 2.504224 3.420073 5.066193 4.348489 1.340623 3.464504 0.000000 5.350181 4.298395 5.056913 5.674760 4.981918 4.783370 5.083033 3.892069 4.803273 6.387013 5.291720 2.488516 4.605378 1.505263 0.000000 3.847757 3.959215 5.194147 3.791220 3.977527 3.927279 4.401270 3.004639 3.549487 5.470873 5.263944 2.503633 3.577497 1.504627 2.538113 0.000000 1.435855 2.678349 2.963892 2.886763 1.444235 3.609622 5.019986 4.827700 3.670848 6.099209 5.424827 5.021169 2.399399 4.915691 5.751517 4.527363 0.000000 3.452483 3.199677 1.216331 3.474649 1.380271 2.321376 6.103088 5.573489 5.011645 7.483565 6.189444 5.047041 3.671872 4.517671 4.666130 4.400827 2.517889 0.000000 3.108656 4.138613 3.485174 1.222741 1.416697 1.355077 6.270968 5.471021 4.875989 7.415310 6.883614 5.259912 3.897860 4.517924 5.034401 3.646477 2.508035 2.310922 0.000000 4.524299 4.382647 2.444793 3.517069 2.315136 1.455402 7.016171 6.211189 5.926034 8.403586 7.209023 5.471472 4.762950 4.601240 4.424364 4.318091 3.728407 1.511223 2.326037 0.000000 5.453280 6.063071 4.882747 2.945055 3.636544 1.458964 8.033532 6.927104 6.790254 9.220105 8.636349 6.336603 5.987376 5.188710 5.139246 4.250545 4.946833 3.733507 2.481413 2.559907 0.000000 5.939545 6.223781 5.401488 3.846190 4.401054 2.438026 7.868321 6.606492 6.804557 9.062937 8.467301 5.818846 6.194622 4.536113 4.244834 3.708632 5.700154 4.344452 3.396282 3.104561 1.464622 0.000000 6.553339 6.586365 6.045109 4.799860 5.245559 3.497023 7.926387 6.572659 7.040830 9.103908 8.504000 5.637262 6.597312 4.299055 3.769794 3.659874 6.494032 5.096489 4.372103 3.905300 2.666801 1.202329 0.000000 4.144809 4.110871 6.730257 5.744109 5.688273 6.559237 2.190816 1.086569 2.190690 2.677227 3.509789 2.182056 3.402636 2.899508 4.325378 3.054856 5.447678 6.303061 5.841015 6.804271 7.148337 6.757569 6.661094 0.000000 2.402030 3.284824 5.926472 4.760439 4.606518 6.084123 2.233326 2.242072 1.082077 2.667708 3.535217 3.505474 2.142197 4.109678 5.566897 3.884069 3.837278 5.540274 4.995493 6.415181 6.971865 7.080088 7.384672 2.396337 0.000000 4.748836 4.974516 7.937158 7.032156 6.904792 8.260430 2.175535 2.708085 2.684902 1.092820 3.484399 4.160060 4.120671 5.148619 6.567284 5.276574 6.168466 7.684663 7.280201 8.509465 9.028297 8.879251 8.933591 2.409444 2.398070 0.000000 4.912223 4.762059 7.788021 7.728285 7.132477 8.822392 2.162231 3.458481 3.019777 1.094469 2.784805 4.760961 4.141160 5.925301 7.233176 6.298049 6.194098 7.792807 7.814378 8.853465 9.802064 9.776053 9.911395 3.675756 3.024797 1.772743 0.000000 5.737608 5.250692 8.296828 8.242978 7.726347 9.112110 2.154691 3.052841 3.464195 1.094695 2.782920 4.173807 4.757269 5.410222 6.617050 5.989073 7.063470 8.251121 8.275048 9.108777 9.937229 9.648019 9.566809 3.070315 3.681111 1.771152 1.771210 0.000000 4.574964 3.314300 6.144295 7.588117 6.256287 8.052125 2.153530 3.482035 3.078256 2.792233 1.094147 4.095712 3.409143 5.292904 6.246905 6.094703 5.478660 6.493523 7.266498 7.667818 9.211612 9.186636 9.326876 4.327603 3.809182 3.791277 2.600065 3.155491 0.000000 4.257372 2.412478 5.081613 6.873533 5.412060 6.920011 2.186375 2.794147 2.869787 3.490598 1.087207 2.766982 2.897157 3.876862 4.612251 4.923977 5.025496 5.404833 6.365880 6.398262 8.012433 7.833881 7.875419 3.832645 3.901830 4.337516 3.799405 3.776811 1.765764 0.000000 5.485012 4.036825 6.843021 8.156989 6.980359 8.430522 2.141319 3.102933 3.532791 2.745027 1.094603 3.446439 4.173323 4.766002 5.588354 5.823959 6.487990 7.101167 7.813588 8.029761 9.417279 9.113940 9.023869 3.836733 4.353612 3.753302 3.089261 2.546134 1.768389 1.769568 0.000000 4.840767 3.352456 5.525128 6.547176 5.549911 6.339800 2.878474 2.206321 3.330427 4.148187 2.821551 1.086900 3.616380 2.092922 2.677560 3.480120 5.665650 5.483582 6.062479 5.950653 7.082048 6.510654 6.249035 2.968701 4.285283 4.630875 4.954005 4.217892 3.875525 2.359193 2.934203 0.000000 6.156760 5.324672 5.981791 6.084730 5.735400 5.184398 5.845540 4.534356 5.573590 7.029415 6.182130 3.222707 5.511153 2.154068 1.096214 2.801642 6.584279 5.475129 5.551626 4.996126 5.237861 4.102807 3.353710 4.742388 6.228755 7.097868 7.950747 7.192572 7.180283 5.588269 6.392834 3.465089 0.000000 5.885168 4.453044 5.319230 6.595220 5.629620 5.643132 5.103984 4.116065 5.113381 6.419841 5.030724 2.626110 4.945480 2.166635 1.092424 3.486206 6.297698 5.168457 5.885802 5.072868 6.100728 5.233902 4.728986 4.669063 5.996837 6.757333 7.241637 6.518761 6.000835 4.288159 5.174079 2.349192 1.776603 0.000000 5.203920 4.200443 4.286477 5.216997 4.363681 3.961079 5.630271 4.516986 5.135667 7.019637 5.772821 3.199262 4.627684 2.148239 1.096711 2.798852 5.330969 3.856972 4.411444 3.443838 4.365532 3.572202 3.265427 5.037781 5.887714 7.208131 7.777468 7.365963 6.624654 4.977551 6.207524 3.429234 1.755854 1.777048 0.000000 4.861367 5.045658 6.121520 4.332838 4.876661 4.411326 5.220725 3.749622 4.483024 6.151883 6.139674 3.218721 4.651811 2.148590 2.811977 1.096035 5.519225 5.266107 4.310774 4.930245 4.374677 3.565235 3.264188 3.547434 4.710934 5.851017 7.055396 6.569177 7.027201 5.844404 6.585485 4.122400 2.630859 3.808558 3.172286 0.000000 3.641688 3.881236 4.475699 3.015133 3.167724 2.838581 5.038199 3.781976 3.993228 6.206626 5.776322 3.220593 3.620411 2.139505 2.767145 1.093024 3.984220 3.545509 2.689923 3.305118 3.223224 2.856971 3.083479 3.988442 4.325101 6.053713 6.929186 6.818332 6.512512 5.301923 6.449702 4.108471 3.105768 3.774664 2.579739 1.748369 0.000000 3.296408 3.857862 5.498972 3.575209 3.996498 4.328544 3.894410 2.579257 2.883940 4.789744 4.990999 2.671408 3.161393 2.178721 3.492997 1.089668 4.225099 4.710540 3.707189 4.870675 4.756194 4.458067 4.563099 2.456883 2.980694 4.457896 5.574596 5.417132 5.732500 4.845984 5.617365 3.752077 3.817218 4.329116 3.791175 1.774537 1.770335 0.000000 2.090778 2.513062 2.576763 3.920219 2.061563 4.271993 5.149115 5.195366 4.006004 6.271596 5.259874 5.331454 2.617971 5.378349 6.104949 5.256680 1.087661 2.608056 3.373066 4.046657 5.692628 6.425847 7.185332 5.959724 4.332232 6.511702 6.246592 7.202228 5.166369 4.788008 6.331803 5.795821 7.036464 6.489747 5.656696 6.298482 4.746615 5.028214 0.000000 2.007717 3.708797 3.805526 2.741202 2.078052 3.931863 5.749448 5.582602 4.329305 6.659670 6.279961 5.922869 3.250053 5.778852 6.666566 5.180688 1.086372 3.275065 2.715196 4.318453 5.157123 6.094572 6.995175 6.072367 4.242874 6.606248 6.678520 7.682737 6.255365 5.986639 7.354620 6.639564 7.426717 7.285838 6.234936 6.090411 4.608072 4.760617 1.791659 0.000000 4.891710 4.380497 2.834254 4.135259 3.007487 2.122802 6.807605 5.898484 5.883729 8.237290 6.942668 4.941924 4.855214 3.981124 3.526212 3.923874 4.352042 2.141009 3.014951 1.095071 2.857740 2.848698 3.337962 6.493423 6.484169 8.384033 8.785209 8.834337 7.524499 6.082824 7.653793 5.327837 4.062488 4.138195 2.477442 4.454694 3.018914 4.672363 4.645064 5.083161 0.000000 5.427591 5.250171 2.778971 4.269306 3.098476 2.125858 8.022290 7.271413 6.946899 9.424929 8.121326 6.497339 5.716709 5.630454 5.303361 5.383431 4.451336 2.155438 3.120648 1.091686 2.948457 3.623655 4.453522 7.889052 7.437009 9.560354 9.832486 10.133109 8.526429 7.263177 8.941847 6.903699 5.828057 5.874854 4.257335 5.936192 4.359333 5.953270 4.634575 4.933632 1.783130 0.000000 5.467071 6.450408 5.566472 2.545959 3.932107 2.070109 8.188084 7.077180 6.859229 9.248711 8.950332 6.685503 6.174071 5.584473 5.764205 4.415777 5.056612 4.364901 2.567523 3.431052 1.091050 2.108733 3.221030 7.169243 6.870406 8.937401 9.815464 10.011649 9.498165 8.436330 9.756931 7.538817 5.813521 6.784545 5.124875 4.462749 3.479214 4.719419 5.931798 5.073598 3.827367 3.862706 0.000000 6.312483 6.843254 5.218892 3.775963 4.274855 2.084343 9.010392 7.942085 7.772621 10.235518 9.526479 7.287648 6.871815 6.132647 5.918089 5.294967 5.625182 4.163787 3.247501 2.848975 1.093228 2.100466 3.201544 8.208857 7.980837 10.077944 10.788367 10.956661 10.070644 8.841396 10.315657 7.965566 5.996710 6.815462 5.043913 5.399164 4.257878 5.837019 6.271030 5.780984 3.227168 2.818168 1.760677 0.000000 7.216591 7.060831 6.745134 5.719540 6.093051 4.496098 8.120041 6.716579 7.401316 9.262850 8.670708 5.680906 7.101148 4.356838 3.636388 3.927618 7.288142 5.889212 5.312441 4.760246 3.732984 2.268531 1.066235 6.746378 7.792805 9.105770 10.141467 9.612111 9.570638 8.058336 9.071145 6.199692 2.946798 4.504977 3.348119 3.343813 3.615186 4.897994 7.947582 7.857402 4.032336 5.313365 4.246644 4.227110 0.000000 C17H22N2O4 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 296.1928999999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;5;6;1;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.8208,-1.8463,-.9539;-1.4181,-1.1467,1.1097;1.2613,-1.9925,2.334;2.0482,-1.147,-2.1163;1.3594,-1.7693,.0253;3.1634,-.4751,-.1913;-3.8946,.2104,-.2107;-2.7739,1.1485,-.5308;-2.6228,-.3742,-.833;-5.0944,.2206,-1.1428;-4.2677,-.0867,1.2288;-1.9412,1.8187,.5074;-1.6141,-1.1339,-.0891;-.6583,2.1687,.3378;.1291,2.8513,1.424;.1121,1.8865,-.9235;.2568,-2.6065,-.386;1.7521,-1.5224,1.3253;2.1976,-1.1046,-.9035;2.9249,-.573,1.241;4.1151,.465,-.7736;3.7936,1.8628,-.4767;3.5234,3.0033,-.2091;-2.8911,1.7094,-1.454;-2.6792,-.6391,-1.8807;-4.8038,.4335,-2.1746;-5.6055,-.747,-1.1227;-5.8083,.9872,-.825;-4.7261,-1.0775,1.3017;-3.4178,-.0573,1.9062;-5.0048,.6485,1.5672;-2.4202,2.0334,1.4592;.5302,3.8086,1.0714;-.4754,3.0352,2.3152;.9937,2.2397,1.7093;.4767,2.8205,-1.3662;1.0018,1.2955,-.6914;-.4703,1.3515,-1.6731;-.0777,-3.1764,.4779;.5793,-3.2664,-1.1865;2.644,.3923,1.6753;3.7863,-.9729,1.7793;4.1268,.2993,-1.852;5.1138,.2311,-.3956;3.2754,4.0147,.0202; 0.4089880 0.1921278 0.1635944 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= 660 660 660 660 660 MxSgAt= 45 MxSgA2= 45. 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= 638 RedAO= T EigKep= 1.30D-06 NBF= 638 NBsUse= 638 1.00D-06 EigRej= -1.00D+00 NBFU= 638 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= 658 658 658 658 658 MxSgAt= 45 MxSgA2= 45. 1 1.08157585e+00 1.06417859e+00 -6.38456608e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.001345507 0.003482079 -0.014314394 -0.003676922 -0.000091800 0.014702340 0.004401793 0.007824555 0.013337243 0.003807536 -0.000663453 -0.016720196 0.003892215 0.004100487 0.001707633 -0.002297404 -0.001731691 -0.001420224 0.005769935 -0.000241306 0.002349603 -0.000229028 -0.009146525 0.000057334 -0.003705201 0.007282496 -0.006266085 0.003421440 -0.000096829 -0.002953987 0.000201843 0.000695754 0.004652849 0.002328725 -0.001119471 0.001818545 0.011096531 -0.006142032 -0.002503607 -0.000901206 -0.000949253 0.000329875 -0.002016470 -0.001395660 0.002924047 -0.003033110 0.000178574 -0.003496251 -0.004605711 0.012884986 0.001086020 -0.004420974 -0.004727710 -0.003375557 -0.003320320 -0.002107765 0.003636905 -0.003332282 -0.001036469 0.007325683 -0.004485501 -0.004937877 -0.003860438 -0.000748614 -0.001706611 -0.000423944 0.000424909 -0.003169812 0.001837392 -0.000409142 0.000187012 -0.000233588 -0.001270964 0.000768396 0.000665880 -0.000701779 -0.000383386 -0.001450359 0.000671671 0.002136389 0.000445851 0.001034487 -0.001490981 0.001277630 0.000560719 0.002089143 -0.000401729 -0.002378437 0.000447316 -0.000779218 0.001729834 -0.001411616 0.000335382 0.000204070 0.000588250 0.000507147 -0.000681733 -0.001819080 -0.001170925 0.001185238 0.000078686 0.001592230 -0.001831470 0.000985303 -0.000572655 0.001968705 -0.001074151 -0.000915602 -0.001827721 0.000199089 0.000676503 0.000209101 0.001894374 0.000160358 0.000854918 -0.002326005 0.001571381 -0.000085658 -0.001371277 -0.001546017 0.000917200 -0.000340620 0.000016919 -0.000343141 0.000953389 0.000181325 0.001457061 0.000732115 -0.000903563 -0.001510135 0.000962296 0.000815031 0.000329484 0.001010691 -0.000702766 0.016720196 0.003877366 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1071.77541192764 -1071.77541288309 -0.000000955446 -1071.77541288753 -0.000000004439 -1071.77541289048 -0.000000002953 -1071.77541289103 -0.000000000553 -1071.77541289098 0.000000000048 -1071.77541289101 -0.000000000029 -1071.77541289122 -0.000000000211 -1071.77541289 8 1.067274633660e+03 -6.629169550218e+03 2.425520263714e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323734244 LenY= 11323296662 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) PT179519.800S Sat Sep 7 17:02:45 2024 Mulliken charges: 1 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 O O O O N N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H 0.026949 -0.294054 -0.442631 -0.456796 0.065862 0.104882 -0.040119 0.307756 0.207840 -0.276091 -0.697201 -0.477591 -0.637820 0.652115 -0.615748 -0.944373 0.010061 0.211879 -0.045764 -0.292258 -0.561116 1.599634 -1.498384 0.190768 0.193607 0.156831 0.162109 0.163115 0.163717 0.154514 0.159380 0.147118 0.167392 0.150030 0.157800 0.178962 0.166021 0.161543 0.223545 0.232607 0.251180 0.234744 0.231202 0.233690 0.213092 -0.00000 -19.17796 -19.13072 -19.12215 -19.12180 -14.38304 -14.36965 -10.32870 -10.31394 -10.31196 -10.27603 -10.24108 -10.22832 -10.19669 -10.18786 -10.18766 -10.18543 -10.17627 -10.17444 -10.15877 -10.15610 -10.15496 -10.15357 -10.15310 -1.12108 -1.09647 -1.07118 -1.03449 -1.00039 -0.94520 -0.88340 -0.81015 -0.80616 -0.76717 -0.74996 -0.73253 -0.71894 -0.69645 -0.68734 -0.68610 -0.65312 -0.64247 -0.60310 -0.56912 -0.55210 -0.54879 -0.53817 -0.52734 -0.51735 -0.50495 -0.49858 -0.49151 -0.48456 -0.47873 -0.46989 -0.46694 -0.45418 -0.45367 -0.44752 -0.44037 -0.43497 -0.43112 -0.42615 -0.42165 -0.41141 -0.40379 -0.40072 -0.38554 -0.38103 -0.37764 -0.37515 -0.36706 -0.36239 -0.35035 -0.34030 -0.32965 -0.31704 -0.31107 -0.30129 -0.29712 -0.29344 -0.29021 -0.28875 -0.28500 -0.27329 -0.23410 -0.03211 -0.02375 0.00038 0.00667 0.01019 0.01134 0.01846 0.02161 0.02510 0.02825 0.03095 0.03598 0.03673 0.04367 0.04710 0.04977 0.05323 0.05628 0.05855 0.06356 0.06631 0.06786 0.07006 0.07584 0.07779 0.08217 0.08614 0.09041 0.09575 0.10113 0.10550 0.10815 0.11063 0.11241 0.11305 0.11823 0.12351 0.12496 0.12643 0.12988 0.13289 0.13738 0.14014 0.14447 0.14616 0.14870 0.15249 0.15613 0.15715 0.15990 0.16283 0.16426 0.16949 0.17112 0.17280 0.17554 0.17684 0.18195 0.18494 0.18747 0.18907 0.19102 0.19348 0.19866 0.19928 0.20135 0.20464 0.20566 0.20819 0.21305 0.21437 0.21783 0.21921 0.22356 0.22594 0.22645 0.22998 0.23214 0.23438 0.23516 0.23985 0.24200 0.24488 0.24811 0.25000 0.25368 0.25605 0.25969 0.26126 0.26420 0.26640 0.27152 0.27230 0.27487 0.27657 0.28004 0.28354 0.28773 0.29218 0.29810 0.29967 0.30294 0.30418 0.30702 0.30895 0.31699 0.31909 0.31997 0.32295 0.32475 0.33186 0.33340 0.33722 0.33902 0.34399 0.34947 0.35474 0.35827 0.36041 0.36516 0.36789 0.37432 0.37958 0.38307 0.38804 0.39388 0.40120 0.40346 0.40958 0.41537 0.42102 0.42627 0.43510 0.43952 0.44251 0.44802 0.45037 0.45128 0.45735 0.46887 0.47298 0.48320 0.48499 0.49483 0.50033 0.50764 0.51310 0.52053 0.52807 0.53836 0.54905 0.55397 0.56256 0.56414 0.57161 0.57646 0.58099 0.58602 0.59494 0.59902 0.60079 0.60619 0.61461 0.61735 0.61947 0.62597 0.63427 0.64546 0.65108 0.65931 0.66021 0.66785 0.66822 0.67117 0.67370 0.67808 0.68445 0.68893 0.69140 0.69675 0.69809 0.69948 0.70744 0.71101 0.71574 0.71808 0.72548 0.72603 0.72876 0.73106 0.73773 0.73967 0.74394 0.75123 0.75579 0.76174 0.76733 0.77138 0.77849 0.78160 0.78347 0.79048 0.80012 0.80401 0.80799 0.81283 0.82123 0.82901 0.83399 0.84648 0.86315 0.87027 0.87596 0.90268 0.90784 0.91028 0.92217 0.93199 0.94174 0.95491 0.95813 0.96378 0.96809 0.98919 0.99604 1.00271 1.01516 1.02188 1.02869 1.04210 1.04576 1.05647 1.06605 1.08832 1.09215 1.09995 1.10944 1.11400 1.11681 1.13309 1.14008 1.15052 1.16559 1.17135 1.18157 1.19324 1.20092 1.20893 1.21965 1.22523 1.24129 1.25099 1.25473 1.26126 1.26925 1.27375 1.28906 1.29221 1.29517 1.30303 1.30968 1.31691 1.32729 1.33928 1.35269 1.35635 1.37589 1.38061 1.39566 1.40390 1.42076 1.42316 1.42617 1.43098 1.44942 1.45766 1.45853 1.46861 1.47180 1.48172 1.48355 1.49805 1.50465 1.51096 1.51148 1.52246 1.53657 1.54202 1.55166 1.55483 1.56754 1.58063 1.58154 1.58646 1.59912 1.60365 1.61460 1.61960 1.62313 1.62709 1.62933 1.63618 1.64711 1.65362 1.65553 1.66481 1.66842 1.67081 1.67390 1.68180 1.68870 1.69687 1.70541 1.71149 1.71986 1.72340 1.73461 1.74034 1.74903 1.75145 1.76239 1.76989 1.78621 1.78836 1.79552 1.80170 1.80505 1.81127 1.82935 1.83004 1.83604 1.84221 1.84938 1.86467 1.87296 1.88920 1.89651 1.90273 1.91421 1.91691 1.92590 1.93369 1.96089 1.97079 1.97481 1.98065 1.98821 2.00054 2.00830 2.01793 2.02215 2.04489 2.05573 2.06105 2.07471 2.07766 2.08006 2.09065 2.11176 2.12190 2.13173 2.14507 2.15224 2.16332 2.17029 2.18226 2.19569 2.20496 2.21578 2.22098 2.24467 2.25730 2.26483 2.27445 2.30457 2.34569 2.35892 2.36285 2.38454 2.40439 2.42781 2.43083 2.43652 2.45687 2.46367 2.47254 2.48020 2.48972 2.49475 2.52236 2.52405 2.52857 2.53460 2.53631 2.54265 2.54561 2.55605 2.56121 2.56540 2.57078 2.57712 2.58446 2.59566 2.60027 2.61793 2.63823 2.64503 2.65129 2.65819 2.66672 2.67340 2.67609 2.67975 2.70227 2.71095 2.72063 2.73594 2.74514 2.74952 2.75576 2.76879 2.77232 2.78015 2.79548 2.80402 2.81665 2.82501 2.83187 2.84129 2.84548 2.85922 2.86318 2.88121 2.89146 2.89588 2.90385 2.91074 2.91623 2.92291 2.93127 2.93476 2.94539 2.95711 2.96418 2.97102 2.97884 2.99715 3.00328 3.01137 3.01635 3.02837 3.03497 3.05101 3.06212 3.07504 3.09028 3.10948 3.13233 3.15767 3.16832 3.17756 3.19564 3.21600 3.23308 3.24023 3.25991 3.26974 3.32554 3.33997 3.34701 3.36603 3.37710 3.39023 3.41431 3.47809 3.48644 3.50948 3.53606 3.54657 3.55279 3.58860 3.60494 3.61391 3.63088 3.69378 3.70601 3.73239 3.77415 3.77909 3.78366 3.80158 3.82819 3.83883 3.84958 3.85071 3.85811 3.86123 3.86431 3.89577 3.92340 3.96149 3.98038 4.01406 4.07294 4.08906 4.11756 4.14709 4.15656 4.16788 4.27929 4.31029 4.34117 4.56596 4.61452 4.69132 4.89539 4.94654 5.08136 5.09411 5.10852 5.11095 5.15610 5.23123 5.31021 5.35861 5.41338 5.65615 5.76570 5.85041 5.91033 23.57379 23.72968 23.82348 23.83306 23.85791 23.86981 23.87171 23.88383 23.90731 23.91714 23.96233 23.98229 24.00220 24.01341 24.03453 24.27474 25.13376 35.50117 35.59938 49.92686 50.00473 50.04092 50.06226 1-A. Mulliken charges: 1 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 O O O O N N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H -0.002818 -0.292840 -0.426450 -0.448668 0.045365 0.103173 0.039443 0.215325 0.154202 -0.295011 -0.687828 -0.501678 -0.532257 0.758184 -0.696234 -0.949650 -0.016004 0.190060 -0.020382 -0.298201 -0.671231 1.440724 -1.238962 0.198855 0.196086 0.157243 0.163273 0.163991 0.162980 0.155416 0.160735 0.153061 0.168813 0.154142 0.156225 0.174226 0.174400 0.167776 0.220672 0.235462 0.247673 0.239479 0.234024 0.234948 0.212255 -0.00000 1.11033159e+00 1.22688042e+00 -4.98770220e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.8222 3.1184 -1.2677 4.3928 -106.3015 -129.5459 -157.6351 0.0801 11.4656 6.9206 24.8593 1.6149 -26.4743 0.0801 11.4656 6.9206 52.9132 -16.9202 -9.1125 17.0346 -18.2072 7.1530 -21.2835 32.5034 -11.0443 -0.3435 -5657.5549 -2131.8416 -1299.1292 -135.8520 53.5873 92.8304 63.4593 39.0350 42.3094 -1454.5139 -1234.3224 -666.6192 -7.6606 5.9287 8.7194 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1071.7754129 2.603E-9 4.998E-6 19.6760368,0.4709513,-20.146988,0.8936443,-4.6953765,-6.7000803 C01 [X(C17H22N2O4)] -1.0142327 -1.3007202 -0.5160451 0.000004100 -0.000000004 -0.000000851 0.000000033 -0.000000864 0.000001056 0.000002955 0.000007244 0.000000525 0.000008641 -0.000001210 -0.000014689 0.000000895 -0.000004078 -0.000001895 0.000009064 0.000002195 -0.000010613 0.000005138 -0.000009723 0.000010039 0.000000047 0.000004838 0.000002103 -0.000000896 -0.000009799 0.000000082 -0.000001409 -0.000007388 0.000006970 -0.000002455 -0.000003076 0.000001792 -0.000002766 -0.000004342 0.000003499 0.000003566 -0.000000497 -0.000001584 -0.000003312 0.000001270 0.000001687 -0.000006549 0.000003587 0.000001530 0.000000088 -0.000000410 0.000002095 0.000008128 0.000001435 -0.000005575 0.000002573 0.000007304 -0.000015191 -0.000004032 0.000006134 0.000008816 -0.000003910 0.000006067 -0.000005526 0.000000039 0.000004055 -0.000004826 -0.000001272 0.000004169 -0.000004764 -0.000002455 0.000005383 -0.000001888 -0.000000746 -0.000006610 0.000006070 0.000003500 -0.000004650 0.000002715 0.000002887 -0.000009631 0.000006569 0.000003206 -0.000008370 0.000005999 0.000000794 -0.000008491 0.000008917 0.000000152 -0.000004229 0.000004599 -0.000002320 -0.000002477 0.000004153 -0.000002039 -0.000004638 0.000007426 -0.000005475 -0.000000067 0.000005182 -0.000006300 0.000001346 0.000002862 -0.000007610 0.000002743 0.000003373 -0.000005576 0.000003514 -0.000000280 -0.000002967 -0.000001176 0.000001957 -0.000002256 0.000001396 0.000000360 0.000000507 -0.000001452 0.000001637 0.000005833 0.000000347 -0.000004020 0.000006853 -0.000000101 -0.000004786 -0.000002367 0.000005965 -0.000003799 -0.000000426 0.000007873 -0.000007897 0.000002203 0.000004444 -0.000006418 0.000001539 0.000006867 -0.000006442 -0.000005608 0.000005110 -0.000000970 296.1928999999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;5;6;1;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.8897,1.7392,-1.03;1.3155,1.1949,1.1211;-1.4953,2.0032,2.0375;-1.8311,.85,-2.4006;-1.3686,1.6326,-.2508;-3.097,.2535,-.5453;3.9517,-.1375,.1244;2.9001,-1.1396,-.2341;2.7238,.3538,-.6485;5.2331,-.1558,-.6917;4.1775,.264,1.5693;1.9982,-1.7779,.7657;1.6233,1.1156,-.0513;.7501,-2.1908,.5032;-.1107,-2.8366,1.5557;.0918,-2.0201,-.8389;-.2629,2.4878,-.6141;-1.8723,1.4511,1.0214;-2.0919,.8771,-1.2063;-2.9974,.4503,.8933;-3.9558,-.7599,-1.1488;-3.6139,-2.1218,-.7323;-3.3294,-3.2313,-.3667;3.1233,-1.7515,-1.1038;2.8686,.555,-1.7018;5.0483,-.4444,-1.7294;5.7052,.8316,-.6888;5.941,-.8707,-.2602;4.5913,1.2757,1.6182;3.2694,.2415,2.1667;4.9053,-.4174,2.0211;2.3933,-1.9127,1.7693;-.4426,-3.8299,1.2319;.4138,-2.9393,2.5085;-1.0194,-2.245,1.72;-.1961,-2.9942,-1.2505;-.8363,-1.4533,-.7284;.7224,-1.509,-1.5659;-.0313,3.1238,.2373;-.5323,3.0825,-1.4824;-2.7242,-.4735,1.414;-3.9192,.8468,1.3232;-3.8723,-.6622,-2.2322;-4.9933,-.5446,-.8796;-3.0681,-4.2151,-.0496; Gaussian 16 GINC-GASCONES ALCAMI Optimization Imiprothrin_RS CONF3 water EM64L-G16RevC.01 129 C1[X(C17H22N2O4)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 296.1928999999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;5;6;1;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.8897,1.7392,-1.03;1.3155,1.1949,1.1211;-1.4953,2.0032,2.0375;-1.8311,.85,-2.4006;-1.3686,1.6326,-.2508;-3.097,.2535,-.5453;3.9517,-.1375,.1244;2.9001,-1.1396,-.2341;2.7238,.3538,-.6485;5.2331,-.1558,-.6917;4.1775,.264,1.5693;1.9982,-1.7779,.7657;1.6233,1.1156,-.0513;.7501,-2.1908,.5032;-.1107,-2.8366,1.5557;.0918,-2.0201,-.8389;-.2629,2.4878,-.6141;-1.8723,1.4511,1.0214;-2.0919,.8771,-1.2063;-2.9974,.4503,.8933;-3.9558,-.7599,-1.1488;-3.6139,-2.1218,-.7323;-3.3294,-3.2313,-.3667;3.1233,-1.7515,-1.1038;2.8686,.555,-1.7018;5.0483,-.4444,-1.7294;5.7052,.8316,-.6888;5.941,-.8707,-.2602;4.5913,1.2757,1.6182;3.2694,.2415,2.1667;4.9053,-.4174,2.0211;2.3933,-1.9127,1.7693;-.4426,-3.8299,1.2319;.4138,-2.9393,2.5085;-1.0194,-2.245,1.72;-.1961,-2.9942,-1.2505;-.8363,-1.4533,-.7284;.7224,-1.509,-1.5659;-.0313,3.1238,.2373;-.5323,3.0825,-1.4824;-2.7242,-.4735,1.414;-3.9192,.8468,1.3232;-3.8723,-.6622,-2.2323;-4.9933,-.5446,-.8796;-3.0681,-4.2151,-.0496; Optimization Imiprothrin_RS CONF3 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 40 41 42 43 44 45 16 16 16 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 1 2 3 4 5 5 5 6 6 6 7 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 14 14 15 15 15 16 16 16 17 17 18 20 20 21 21 21 22 23 13 17 13 18 19 17 18 19 19 20 21 8 9 10 11 9 12 24 13 25 26 27 28 29 30 31 14 32 15 16 33 34 35 36 37 38 39 40 20 41 42 22 43 44 23 45 1.3729 1.4359 1.2147 1.2163 1.2227 1.4442 1.3803 1.4167 1.3551 1.4554 1.459 1.4962 1.5319 1.5193 1.5165 1.5598 1.4901 1.0866 1.4656 1.0821 1.0928 1.0945 1.0947 1.0941 1.0872 1.0946 1.3406 1.0869 1.5053 1.5046 1.0962 1.0924 1.0967 1.096 1.093 1.0897 1.0877 1.0864 1.5112 1.0951 1.0917 1.4646 1.0911 1.0932 1.2023 1.0662 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 13 17 17 18 19 19 20 8 8 9 9 10 7 7 9 9 12 7 7 8 8 13 7 7 7 26 26 27 7 7 7 29 29 30 8 8 14 1 1 2 12 12 15 14 14 14 33 33 34 14 14 14 36 36 37 1 1 1 5 5 39 3 3 5 4 4 5 6 6 6 18 18 41 6 6 6 22 22 43 1 5 5 5 6 6 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 17 18 19 19 20 21 21 10 11 10 11 11 12 24 12 24 24 13 25 13 25 25 26 27 28 27 28 28 29 30 31 30 31 31 14 32 32 2 9 9 15 16 16 33 34 35 34 35 35 36 37 38 37 38 38 5 39 40 39 40 40 5 20 20 5 6 6 18 41 42 41 42 42 22 43 44 43 44 44 117.3388 126.0956 122.4787 111.4189 111.6625 123.678 122.894 117.1334 120.6767 114.1386 121.0052 112.9172 123.4745 115.1248 121.329 110.4699 114.8423 124.266 116.3271 118.3134 114.931 113.605 111.7497 110.5825 109.9713 108.2847 108.1262 108.0124 110.1043 113.1876 109.1165 108.0901 107.7913 108.3978 124.3367 116.9136 118.7496 121.531 110.2978 128.1286 121.8475 123.1658 114.9715 110.8109 112.0583 110.3161 108.5322 106.3921 108.5359 110.429 109.8872 113.2718 106.0094 108.5605 108.4029 112.2527 111.144 104.6504 108.1993 109.5933 110.9983 126.6665 127.0255 106.3004 124.1757 128.6424 107.1659 102.9635 111.9001 112.3684 109.4286 110.7748 109.2582 113.0062 107.671 108.6625 110.347 109.5519 107.4271 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A80 A81 A82 A83 21 22 21 22 22 23 22 23 23 45 23 45 2 7 2 7 -1 -1 -2 -2 179.2826 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 179.5742 178.9882 180.4557 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 17 17 13 13 13 18 18 18 19 19 19 17 17 19 19 17 17 18 18 20 20 21 21 19 19 19 21 21 21 19 19 19 20 20 20 10 10 11 11 10 10 11 11 8 8 8 9 9 9 11 11 11 8 8 8 9 9 9 10 10 10 12 12 24 24 7 7 9 9 24 24 7 7 8 8 25 25 8 8 32 32 12 12 12 16 16 16 12 12 12 15 15 15 3 3 3 5 5 5 1 1 1 1 1 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 12 12 12 12 14 14 14 14 14 14 14 14 14 14 14 14 18 18 18 18 18 18 13 13 17 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 9 9 9 9 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 20 20 20 20 20 20 2 9 5 39 40 1 39 40 1 39 40 3 20 3 20 4 6 4 6 4 5 4 5 18 41 42 18 41 42 22 43 44 22 43 44 12 24 12 24 13 25 13 25 26 27 28 26 27 28 26 27 28 29 30 31 29 30 31 29 30 31 13 25 13 25 14 32 14 32 14 32 1 2 1 2 1 2 15 16 15 16 33 34 35 33 34 35 36 37 38 36 37 38 6 41 42 6 41 42 -0.223 177.5862 -74.9818 46.3545 166.237 111.0201 -11.9898 -133.1493 -70.0059 166.9842 45.8247 2.0611 -178.8863 -177.0092 2.0434 2.017 -176.6365 -178.8735 2.4729 175.1875 -6.2387 9.974 -171.4522 7.2358 -110.1783 126.4659 172.5845 55.1704 -68.1853 103.343 -18.7792 -134.8429 -60.2487 177.6291 61.5655 145.827 -4.2157 1.4619 -148.5808 -146.3971 4.9705 -6.2973 145.0704 33.1243 153.8305 -86.9663 -36.4833 84.2229 -156.5739 -179.8339 -59.1278 60.0755 -153.1361 -32.0379 88.7494 -79.4182 41.6799 162.4673 61.1228 -177.779 -56.9917 -1.373 -140.1383 137.4086 -1.3566 149.9996 -30.1364 77.2533 -102.8826 -59.8819 119.9821 162.2889 -20.085 -129.0455 48.5806 10.239 -172.135 179.6597 -1.8313 -0.202 178.3069 -122.9069 -1.5149 119.5348 58.4699 179.8619 -59.0884 120.7392 -122.664 -1.2626 -60.658 55.9389 177.3402 173.6686 -67.1846 53.3374 -5.3796 113.7672 -125.7108 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00124 0.00167 0.00195 0.00228 0.00257 0.00300 0.00314 0.00444 0.00531 0.00809 0.00997 0.01553 0.01667 0.01838 0.01989 0.02169 0.02354 0.02425 0.02801 0.02994 0.03208 0.03497 0.03813 0.04323 0.04398 0.04412 0.04537 0.04620 0.04652 0.04870 0.05102 0.05187 0.05407 0.05519 0.05656 0.05682 0.05791 0.06062 0.06215 0.06358 0.06768 0.07241 0.07574 0.08405 0.09039 0.09341 0.09732 0.09858 0.10088 0.11373 0.11890 0.12032 0.12075 0.12317 0.12403 0.13746 0.13760 0.13984 0.14119 0.14246 0.14326 0.14423 0.14561 0.14778 0.15572 0.15790 0.16030 0.16763 0.17293 0.17629 0.18108 0.18451 0.19946 0.20504 0.21068 0.21362 0.21823 0.22110 0.23246 0.24016 0.24672 0.25077 0.26249 0.26988 0.28419 0.28903 0.29914 0.30224 0.30862 0.31519 0.31671 0.31943 0.32320 0.32400 0.32821 0.32877 0.32955 0.33042 0.33163 0.33300 0.33371 0.33631 0.33791 0.34031 0.34053 0.34108 0.34135 0.34616 0.34663 0.34770 0.34897 0.34972 0.35372 0.35452 0.35847 0.37165 0.37714 0.38464 0.39299 0.40370 0.41294 0.43975 0.51086 0.60897 0.76071 0.79482 0.80364 0.96675 1.08800 Angle between quadratic step and forces= 77.56 degrees. 1 2 0.00019706 0.00000004 0.00000002 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 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 2.59438 2.71337 2.29551 2.29853 2.31065 2.72921 2.60833 2.67717 2.56073 2.75031 2.75704 2.82735 2.89479 2.87104 2.86581 2.94764 2.81583 2.05332 2.76961 2.04483 2.06513 2.06825 2.06867 2.06764 2.05452 2.06850 2.53341 2.05394 2.84453 2.84333 2.07155 2.06438 2.07248 2.07121 2.06552 2.05917 2.05538 2.05294 2.85580 2.06938 2.06299 2.76773 2.06179 2.06590 2.27207 2.01489 2.04795 2.20078 2.13766 1.94463 1.94888 2.15859 2.14490 2.04436 2.10621 1.99209 2.11194 1.97078 2.15504 2.00931 2.11759 1.92806 2.00438 2.16885 2.03029 2.06496 2.00592 1.98278 1.95040 1.93003 1.91936 1.88992 1.88716 1.88517 1.92168 1.97550 1.90444 1.88653 1.88131 1.89190 2.17009 2.04053 2.07257 2.12112 1.92506 2.23627 2.12664 2.14965 2.00663 1.93402 1.95579 1.92538 1.89424 1.85689 1.89431 1.92735 1.91789 1.97697 1.85021 1.89474 1.89199 1.95918 1.93983 1.82649 1.88843 1.91276 1.93729 2.21075 2.21701 1.85529 2.16727 2.24523 1.87040 1.79705 1.95303 1.96120 1.90989 1.93338 1.90692 1.97233 1.87921 1.89652 1.92592 1.91204 1.87496 3.12907 3.13416 3.12393 3.14955 -0.00389 3.09946 -1.30868 0.80904 2.90138 1.93767 -0.20926 -2.32389 -1.22183 2.91442 0.79979 0.03597 -3.12216 -3.08939 0.03566 0.03520 -3.08289 -3.12193 0.04316 3.05760 -0.10889 0.17408 -2.99241 0.12629 -1.92297 2.20725 3.01217 0.96291 -1.19006 1.80368 -0.32776 -2.35345 -1.05154 3.10021 1.07452 2.54516 -0.07358 0.02552 -2.59322 -2.55511 0.08675 -0.10991 2.53196 0.57813 2.68485 -1.51785 -0.63675 1.46997 -2.73273 -3.13869 -1.03197 1.04851 -2.67273 -0.55917 1.54897 -1.38611 0.72745 2.83559 1.06679 -3.10283 -0.99469 -0.02396 -2.44587 2.39823 -0.02368 2.61799 -0.52598 1.34832 -1.79564 -1.04514 2.09408 2.83248 -0.35055 -2.25227 0.84789 0.17870 -3.00432 3.13565 -0.03196 -0.00353 3.11204 -2.14513 -0.02644 2.08628 1.02049 3.13918 -1.03129 2.10730 -2.14089 -0.02204 -1.05868 0.97632 3.09517 3.03109 -1.17259 0.93091 -0.09389 1.98561 -2.19407 -0.00000 -0.00000 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 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 -0.00001 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 -0.00001 0.00000 0.00001 0.00002 0.00002 -0.00002 0.00000 -0.00003 -0.00000 -0.00001 -0.00001 0.00003 -0.00001 -0.00001 -0.00004 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 0.00002 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00002 0.00002 0.00000 0.00002 0.00005 -0.00000 0.00001 0.00001 -0.00002 -0.00002 0.00001 0.00000 0.00000 0.00001 0.00001 -0.00003 -0.00003 0.00000 0.00002 0.00003 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00002 0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00001 0.00001 -0.00003 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00002 0.00001 -0.00001 -0.00001 0.00011 0.00010 0.00010 0.00012 0.00013 0.00014 0.00002 0.00004 0.00004 -0.00009 -0.00007 0.00000 0.00002 0.00004 -0.00000 -0.00004 -0.00009 0.00008 0.00013 -0.00019 -0.00014 -0.00012 -0.00013 -0.00013 0.00016 0.00014 0.00015 -0.00025 -0.00027 -0.00027 -0.00055 -0.00057 -0.00057 0.00001 0.00006 -0.00006 -0.00001 0.00005 -0.00002 0.00002 -0.00004 -0.00016 -0.00016 -0.00016 -0.00013 -0.00013 -0.00013 -0.00010 -0.00009 -0.00010 0.00017 0.00018 0.00017 0.00014 0.00015 0.00014 0.00010 0.00011 0.00010 0.00005 0.00000 0.00004 -0.00001 -0.00007 -0.00005 -0.00010 -0.00009 -0.00011 -0.00010 -0.00010 -0.00011 -0.00010 -0.00011 -0.00004 -0.00004 -0.00005 -0.00002 -0.00006 -0.00003 0.00024 0.00022 0.00023 0.00021 0.00019 0.00021 -0.00012 -0.00014 -0.00014 -0.00010 -0.00011 -0.00011 0.00007 0.00008 0.00009 0.00006 0.00007 0.00008 0.00000 -0.00001 0.00000 0.00001 0.00002 0.00002 -0.00002 0.00000 -0.00003 -0.00000 -0.00001 -0.00001 0.00003 -0.00001 -0.00001 -0.00004 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 0.00002 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00002 0.00002 0.00000 0.00002 0.00005 -0.00000 0.00001 0.00001 -0.00002 -0.00002 0.00001 0.00000 0.00000 0.00001 0.00001 -0.00003 -0.00003 0.00000 0.00002 0.00003 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00002 0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00001 0.00001 -0.00003 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00002 0.00001 -0.00001 -0.00001 0.00011 0.00010 0.00010 0.00012 0.00013 0.00014 0.00002 0.00004 0.00004 -0.00009 -0.00007 0.00000 0.00002 0.00004 -0.00000 -0.00004 -0.00009 0.00008 0.00013 -0.00019 -0.00014 -0.00012 -0.00013 -0.00013 0.00016 0.00014 0.00015 -0.00025 -0.00027 -0.00027 -0.00055 -0.00057 -0.00057 0.00001 0.00006 -0.00006 -0.00001 0.00005 -0.00002 0.00002 -0.00004 -0.00016 -0.00016 -0.00016 -0.00013 -0.00013 -0.00013 -0.00010 -0.00009 -0.00010 0.00017 0.00018 0.00017 0.00014 0.00015 0.00014 0.00010 0.00011 0.00010 0.00005 0.00000 0.00004 -0.00001 -0.00007 -0.00005 -0.00010 -0.00009 -0.00011 -0.00010 -0.00010 -0.00011 -0.00010 -0.00011 -0.00004 -0.00004 -0.00005 -0.00002 -0.00006 -0.00003 0.00024 0.00022 0.00023 0.00021 0.00019 0.00021 -0.00012 -0.00014 -0.00014 -0.00010 -0.00011 -0.00011 0.00007 0.00008 0.00009 0.00006 0.00007 0.00008 2.59438 2.71336 2.29551 2.29854 2.31066 2.72923 2.60832 2.67717 2.56070 2.75031 2.75703 2.82735 2.89483 2.87103 2.86580 2.94760 2.81584 2.05332 2.76961 2.04483 2.06513 2.06825 2.06868 2.06764 2.05453 2.06850 2.53341 2.05394 2.84454 2.84333 2.07155 2.06438 2.07248 2.07121 2.06551 2.05917 2.05538 2.05294 2.85581 2.06938 2.06299 2.76774 2.06179 2.06590 2.27207 2.01489 2.04794 2.20076 2.13767 1.94463 1.94889 2.15864 2.14490 2.04438 2.10622 1.99208 2.11192 1.97079 2.15504 2.00931 2.11760 1.92808 2.00435 2.16882 2.03029 2.06498 2.00595 1.98278 1.95040 1.93003 1.91937 1.88992 1.88716 1.88516 1.92169 1.97550 1.90445 1.88653 1.88131 1.89189 2.17008 2.04053 2.07257 2.12111 1.92507 2.23626 2.12664 2.14966 2.00662 1.93401 1.95579 1.92539 1.89423 1.85689 1.89432 1.92736 1.91788 1.97697 1.85020 1.89474 1.89199 1.95919 1.93982 1.82650 1.88842 1.91277 1.93729 2.21075 2.21701 1.85529 2.16727 2.24523 1.87040 1.79704 1.95303 1.96119 1.90990 1.93338 1.90692 1.97234 1.87923 1.89649 1.92592 1.91204 1.87496 3.12906 3.13416 3.12395 3.14955 -0.00390 3.09945 -1.30856 0.80914 2.90149 1.93779 -0.20913 -2.32376 -1.22181 2.91446 0.79983 0.03589 -3.12223 -3.08939 0.03568 0.03525 -3.08289 -3.12198 0.04307 3.05768 -0.10876 0.17389 -2.99254 0.12617 -1.92310 2.20712 3.01232 0.96305 -1.18991 1.80342 -0.32803 -2.35372 -1.05209 3.09964 1.07395 2.54517 -0.07352 0.02546 -2.59323 -2.55506 0.08674 -0.10988 2.53191 0.57797 2.68469 -1.51801 -0.63688 1.46984 -2.73286 -3.13879 -1.03207 1.04842 -2.67256 -0.55899 1.54914 -1.38597 0.72760 2.83573 1.06690 -3.10272 -0.99459 -0.02391 -2.44587 2.39827 -0.02369 2.61792 -0.52603 1.34822 -1.79573 -1.04524 2.09399 2.83237 -0.35066 -2.25237 0.84779 0.17867 -3.00436 3.13561 -0.03198 -0.00358 3.11201 -2.14489 -0.02622 2.08651 1.02070 3.13937 -1.03108 2.10718 -2.14103 -0.02217 -1.05878 0.97620 3.09506 3.03116 -1.17251 0.93100 -0.09383 1.98568 -2.19399 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000011 0.000002 0.001099 0.000197 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.493706e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 1 2 3 4 5 5 5 6 6 6 7 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 14 14 15 15 15 16 16 16 17 17 18 20 20 21 21 21 22 23 13 17 13 18 19 17 18 19 19 20 21 8 9 10 11 9 12 24 13 25 26 27 28 29 30 31 14 32 15 16 33 34 35 36 37 38 39 40 20 41 42 22 43 44 23 45 1.3729 1.4359 1.2147 1.2163 1.2227 1.4442 1.3803 1.4167 1.3551 1.4554 1.459 1.4962 1.5319 1.5193 1.5165 1.5598 1.4901 1.0866 1.4656 1.0821 1.0928 1.0945 1.0947 1.0941 1.0872 1.0946 1.3406 1.0869 1.5053 1.5046 1.0962 1.0924 1.0967 1.096 1.093 1.0897 1.0877 1.0864 1.5112 1.0951 1.0917 1.4646 1.0911 1.0932 1.2023 1.0662 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 13 17 17 18 19 19 20 8 8 9 9 10 7 7 9 9 12 7 7 8 8 13 7 7 7 26 26 27 7 7 7 29 29 30 8 8 14 1 1 2 12 12 15 14 14 14 33 33 34 14 14 14 36 36 37 1 1 1 5 5 39 3 3 5 4 4 5 6 6 6 18 18 41 6 6 6 22 22 43 1 5 5 5 6 6 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 17 18 19 19 20 21 21 10 11 10 11 11 12 24 12 24 24 13 25 13 25 25 26 27 28 27 28 28 29 30 31 30 31 31 14 32 32 2 9 9 15 16 16 33 34 35 34 35 35 36 37 38 37 38 38 5 39 40 39 40 40 5 20 20 5 6 6 18 41 42 41 42 42 22 43 44 43 44 44 117.3388 126.0956 122.4787 111.4189 111.6625 123.678 122.894 117.1334 120.6767 114.1386 121.0052 112.9172 123.4745 115.1248 121.329 110.4699 114.8423 124.266 116.3271 118.3134 114.931 113.605 111.7497 110.5825 109.9713 108.2847 108.1262 108.0124 110.1043 113.1876 109.1165 108.0901 107.7913 108.3978 124.3367 116.9136 118.7496 121.531 110.2978 128.1286 121.8475 123.1658 114.9715 110.8109 112.0583 110.3161 108.5322 106.3921 108.5359 110.429 109.8872 113.2718 106.0094 108.5605 108.4029 112.2527 111.144 104.6504 108.1993 109.5933 110.9983 126.6665 127.0255 106.3004 124.1757 128.6424 107.1659 102.9635 111.9001 112.3684 109.4286 110.7748 109.2582 113.0062 107.671 108.6625 110.347 109.5519 107.4271 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A80 A81 A82 21 22 21 22 23 22 23 45 23 2 7 2 -1 -1 -2 179.2826 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 179.5742 178.9882 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 17 17 13 13 13 18 18 18 19 19 19 17 17 19 19 17 17 18 18 20 20 21 21 19 19 19 21 21 21 19 19 19 20 20 20 10 10 11 11 10 10 11 11 8 8 8 9 9 9 11 11 11 8 8 8 9 9 9 10 10 10 12 12 24 24 7 7 9 9 24 24 7 7 8 8 25 25 8 8 32 32 12 12 12 16 16 16 12 12 12 15 15 15 3 3 3 5 5 1 1 1 1 1 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 12 12 12 12 14 14 14 14 14 14 14 14 14 14 14 14 18 18 18 18 18 13 13 17 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 9 9 9 9 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 20 20 20 20 20 2 9 5 39 40 1 39 40 1 39 40 3 20 3 20 4 6 4 6 4 5 4 5 18 41 42 18 41 42 22 43 44 22 43 44 12 24 12 24 13 25 13 25 26 27 28 26 27 28 26 27 28 29 30 31 29 30 31 29 30 31 13 25 13 25 14 32 14 32 14 32 1 2 1 2 1 2 15 16 15 16 33 34 35 33 34 35 36 37 38 36 37 38 6 41 42 6 41 -0.223 177.5862 -74.9818 46.3545 166.237 111.0201 -11.9898 -133.1493 -70.0059 166.9842 45.8247 2.0611 -178.8863 -177.0092 2.0434 2.017 -176.6365 -178.8735 2.4729 175.1875 -6.2387 9.974 -171.4522 7.2358 -110.1783 126.4659 172.5845 55.1704 -68.1853 103.343 -18.7792 -134.8429 -60.2487 177.6291 61.5655 145.827 -4.2157 1.4619 -148.5808 -146.3971 4.9705 -6.2973 145.0704 33.1243 153.8305 -86.9663 -36.4833 84.2229 -156.5739 -179.8339 -59.1278 60.0755 -153.1361 -32.0379 88.7494 -79.4182 41.6799 162.4673 61.1228 -177.779 -56.9917 -1.373 -140.1383 137.4086 -1.3566 149.9996 -30.1364 77.2533 -102.8826 -59.8819 119.9821 162.2889 -20.085 -129.0455 48.5806 10.239 -172.135 179.6597 -1.8313 -0.202 178.3069 -122.9069 -1.5149 119.5348 58.4699 179.8619 -59.0884 120.7392 -122.664 -1.2626 -60.658 55.9389 177.3402 173.6686 -67.1846 53.3374 -5.3796 113.7672 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 661 A 638 A 638 1004 661 85 85 2064.6389968249 45 45 45 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 -0.0554154605 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 2.259351 0.000000 3.894523 3.064952 0.000000 3.173593 4.735232 4.597792 0.000000 2.391254 3.045980 2.321573 2.334149 0.000000 4.282055 4.809771 3.506858 2.323933 2.230795 0.000000 3.772379 3.117419 6.157332 6.386811 5.619578 7.091274 0.000000 3.600400 3.130056 5.861456 5.571031 5.089904 6.164663 1.496172 0.000000 2.329992 2.412894 5.266475 4.905366 4.305909 5.822573 1.531858 1.559825 0.000000 4.750900 4.523049 7.575041 7.337203 6.853833 8.341462 1.519288 2.572962 2.560923 0.000000 4.443195 3.042725 5.951836 7.225352 5.995351 7.575600 1.516520 2.617938 2.653252 2.530307 0.000000 4.101617 3.070803 5.302686 5.620929 4.898995 5.639748 2.630243 1.490074 2.659017 3.901216 3.092544 0.000000 1.372888 1.214732 3.857044 4.185971 3.042758 4.823782 2.650051 2.598009 1.465615 3.880369 3.142509 3.029930 0.000000 4.220835 3.487827 4.998584 4.933695 4.435805 4.677022 3.822297 2.504224 3.420073 5.066193 4.348489 1.340623 3.464504 0.000000 5.350181 4.298395 5.056913 5.674760 4.981918 4.783370 5.083033 3.892069 4.803273 6.387013 5.291720 2.488516 4.605378 1.505263 0.000000 3.847757 3.959215 5.194147 3.791220 3.977527 3.927279 4.401270 3.004639 3.549487 5.470873 5.263944 2.503633 3.577497 1.504627 2.538113 0.000000 1.435855 2.678349 2.963892 2.886763 1.444235 3.609622 5.019986 4.827700 3.670848 6.099209 5.424827 5.021169 2.399399 4.915691 5.751517 4.527363 0.000000 3.452483 3.199677 1.216331 3.474649 1.380271 2.321376 6.103088 5.573489 5.011645 7.483565 6.189444 5.047041 3.671872 4.517671 4.666130 4.400827 2.517889 0.000000 3.108656 4.138613 3.485174 1.222741 1.416697 1.355077 6.270968 5.471021 4.875989 7.415310 6.883614 5.259912 3.897860 4.517924 5.034401 3.646477 2.508035 2.310922 0.000000 4.524299 4.382647 2.444793 3.517069 2.315136 1.455402 7.016171 6.211189 5.926034 8.403586 7.209023 5.471472 4.762950 4.601240 4.424364 4.318091 3.728407 1.511223 2.326037 0.000000 5.453280 6.063071 4.882747 2.945055 3.636544 1.458964 8.033532 6.927104 6.790254 9.220105 8.636349 6.336603 5.987376 5.188710 5.139246 4.250545 4.946833 3.733507 2.481413 2.559907 0.000000 5.939545 6.223781 5.401488 3.846190 4.401054 2.438026 7.868321 6.606492 6.804557 9.062937 8.467301 5.818846 6.194622 4.536113 4.244834 3.708632 5.700154 4.344452 3.396282 3.104561 1.464622 0.000000 6.553339 6.586365 6.045109 4.799860 5.245559 3.497023 7.926387 6.572659 7.040830 9.103908 8.504000 5.637262 6.597312 4.299055 3.769794 3.659874 6.494032 5.096489 4.372103 3.905300 2.666801 1.202329 0.000000 4.144809 4.110871 6.730257 5.744109 5.688273 6.559237 2.190816 1.086569 2.190690 2.677227 3.509789 2.182056 3.402636 2.899508 4.325378 3.054856 5.447678 6.303061 5.841015 6.804271 7.148337 6.757569 6.661094 0.000000 2.402030 3.284824 5.926472 4.760439 4.606518 6.084123 2.233326 2.242072 1.082077 2.667708 3.535217 3.505474 2.142197 4.109678 5.566897 3.884069 3.837278 5.540274 4.995493 6.415181 6.971865 7.080088 7.384672 2.396337 0.000000 4.748836 4.974516 7.937158 7.032156 6.904792 8.260430 2.175535 2.708085 2.684902 1.092820 3.484399 4.160060 4.120671 5.148619 6.567284 5.276574 6.168466 7.684663 7.280201 8.509465 9.028297 8.879251 8.933591 2.409444 2.398070 0.000000 4.912223 4.762059 7.788021 7.728285 7.132477 8.822392 2.162231 3.458481 3.019777 1.094469 2.784805 4.760961 4.141160 5.925301 7.233176 6.298049 6.194098 7.792807 7.814378 8.853465 9.802064 9.776053 9.911395 3.675756 3.024797 1.772743 0.000000 5.737608 5.250692 8.296828 8.242978 7.726347 9.112110 2.154691 3.052841 3.464195 1.094695 2.782920 4.173807 4.757269 5.410222 6.617050 5.989073 7.063470 8.251121 8.275048 9.108777 9.937229 9.648019 9.566809 3.070315 3.681111 1.771152 1.771210 0.000000 4.574964 3.314300 6.144295 7.588117 6.256287 8.052125 2.153530 3.482035 3.078256 2.792233 1.094147 4.095712 3.409143 5.292904 6.246905 6.094703 5.478660 6.493523 7.266498 7.667818 9.211612 9.186636 9.326876 4.327603 3.809182 3.791277 2.600065 3.155491 0.000000 4.257372 2.412478 5.081613 6.873533 5.412060 6.920011 2.186375 2.794147 2.869787 3.490598 1.087207 2.766982 2.897157 3.876862 4.612251 4.923977 5.025496 5.404833 6.365880 6.398262 8.012433 7.833881 7.875419 3.832645 3.901830 4.337516 3.799405 3.776811 1.765764 0.000000 5.485012 4.036825 6.843021 8.156989 6.980359 8.430522 2.141319 3.102933 3.532791 2.745027 1.094603 3.446439 4.173323 4.766002 5.588354 5.823959 6.487990 7.101167 7.813588 8.029761 9.417279 9.113940 9.023869 3.836733 4.353612 3.753302 3.089261 2.546134 1.768389 1.769568 0.000000 4.840767 3.352456 5.525128 6.547176 5.549911 6.339800 2.878474 2.206321 3.330427 4.148187 2.821551 1.086900 3.616380 2.092922 2.677560 3.480120 5.665650 5.483582 6.062479 5.950653 7.082048 6.510654 6.249035 2.968701 4.285283 4.630875 4.954005 4.217892 3.875525 2.359193 2.934203 0.000000 6.156760 5.324672 5.981791 6.084730 5.735400 5.184398 5.845540 4.534356 5.573590 7.029415 6.182130 3.222707 5.511153 2.154068 1.096214 2.801642 6.584279 5.475129 5.551626 4.996126 5.237861 4.102807 3.353710 4.742388 6.228755 7.097868 7.950747 7.192572 7.180283 5.588269 6.392834 3.465089 0.000000 5.885168 4.453044 5.319230 6.595220 5.629620 5.643132 5.103984 4.116065 5.113381 6.419841 5.030724 2.626110 4.945480 2.166635 1.092424 3.486206 6.297698 5.168457 5.885802 5.072868 6.100728 5.233902 4.728986 4.669063 5.996837 6.757333 7.241637 6.518761 6.000835 4.288159 5.174079 2.349192 1.776603 0.000000 5.203920 4.200443 4.286477 5.216997 4.363681 3.961079 5.630271 4.516986 5.135667 7.019637 5.772821 3.199262 4.627684 2.148239 1.096711 2.798852 5.330969 3.856972 4.411444 3.443838 4.365532 3.572202 3.265427 5.037781 5.887714 7.208131 7.777468 7.365963 6.624654 4.977551 6.207524 3.429234 1.755854 1.777048 0.000000 4.861367 5.045658 6.121520 4.332838 4.876661 4.411326 5.220725 3.749622 4.483024 6.151883 6.139674 3.218721 4.651811 2.148590 2.811977 1.096035 5.519225 5.266107 4.310774 4.930245 4.374677 3.565235 3.264188 3.547434 4.710934 5.851017 7.055396 6.569177 7.027201 5.844404 6.585485 4.122400 2.630859 3.808558 3.172286 0.000000 3.641688 3.881236 4.475699 3.015133 3.167724 2.838581 5.038199 3.781976 3.993228 6.206626 5.776322 3.220593 3.620411 2.139505 2.767145 1.093024 3.984220 3.545509 2.689923 3.305118 3.223224 2.856971 3.083479 3.988442 4.325101 6.053713 6.929186 6.818332 6.512512 5.301923 6.449702 4.108471 3.105768 3.774664 2.579739 1.748369 0.000000 3.296408 3.857862 5.498972 3.575209 3.996498 4.328544 3.894410 2.579257 2.883940 4.789744 4.990999 2.671408 3.161393 2.178721 3.492997 1.089668 4.225099 4.710540 3.707189 4.870675 4.756194 4.458067 4.563099 2.456883 2.980694 4.457896 5.574596 5.417132 5.732500 4.845984 5.617365 3.752077 3.817218 4.329116 3.791175 1.774537 1.770335 0.000000 2.090778 2.513062 2.576763 3.920219 2.061563 4.271993 5.149115 5.195366 4.006004 6.271596 5.259874 5.331454 2.617971 5.378349 6.104949 5.256680 1.087661 2.608056 3.373066 4.046657 5.692628 6.425847 7.185332 5.959724 4.332232 6.511702 6.246592 7.202228 5.166369 4.788008 6.331803 5.795821 7.036464 6.489747 5.656696 6.298482 4.746615 5.028214 0.000000 2.007717 3.708797 3.805526 2.741202 2.078052 3.931863 5.749448 5.582602 4.329305 6.659670 6.279961 5.922869 3.250053 5.778852 6.666566 5.180688 1.086372 3.275065 2.715196 4.318453 5.157123 6.094572 6.995175 6.072367 4.242874 6.606248 6.678520 7.682737 6.255365 5.986639 7.354620 6.639564 7.426717 7.285838 6.234936 6.090411 4.608072 4.760617 1.791659 0.000000 4.891710 4.380497 2.834254 4.135259 3.007487 2.122802 6.807605 5.898484 5.883729 8.237290 6.942668 4.941924 4.855214 3.981124 3.526212 3.923874 4.352042 2.141009 3.014951 1.095071 2.857740 2.848698 3.337962 6.493423 6.484169 8.384033 8.785209 8.834337 7.524499 6.082824 7.653793 5.327837 4.062488 4.138195 2.477442 4.454694 3.018914 4.672363 4.645064 5.083161 0.000000 5.427591 5.250171 2.778971 4.269306 3.098476 2.125858 8.022290 7.271413 6.946899 9.424929 8.121326 6.497339 5.716709 5.630454 5.303361 5.383431 4.451336 2.155438 3.120648 1.091686 2.948457 3.623655 4.453522 7.889052 7.437009 9.560354 9.832486 10.133109 8.526429 7.263177 8.941847 6.903699 5.828057 5.874854 4.257335 5.936192 4.359333 5.953270 4.634575 4.933632 1.783130 0.000000 5.467071 6.450408 5.566472 2.545959 3.932107 2.070109 8.188084 7.077180 6.859229 9.248711 8.950332 6.685503 6.174071 5.584473 5.764205 4.415777 5.056612 4.364901 2.567523 3.431052 1.091050 2.108733 3.221030 7.169243 6.870406 8.937401 9.815464 10.011649 9.498165 8.436330 9.756931 7.538817 5.813521 6.784545 5.124875 4.462749 3.479214 4.719419 5.931798 5.073598 3.827367 3.862706 0.000000 6.312483 6.843254 5.218892 3.775963 4.274855 2.084343 9.010392 7.942085 7.772621 10.235518 9.526479 7.287648 6.871815 6.132647 5.918089 5.294967 5.625182 4.163787 3.247501 2.848975 1.093228 2.100466 3.201544 8.208857 7.980837 10.077944 10.788367 10.956661 10.070644 8.841396 10.315657 7.965566 5.996710 6.815462 5.043913 5.399164 4.257878 5.837019 6.271030 5.780984 3.227168 2.818168 1.760677 0.000000 7.216591 7.060831 6.745134 5.719540 6.093051 4.496098 8.120041 6.716579 7.401316 9.262850 8.670708 5.680906 7.101148 4.356838 3.636388 3.927618 7.288142 5.889212 5.312441 4.760246 3.732984 2.268531 1.066235 6.746378 7.792805 9.105770 10.141467 9.612111 9.570638 8.058336 9.071145 6.199692 2.946798 4.504977 3.348119 3.343813 3.615186 4.897994 7.947582 7.857402 4.032336 5.313365 4.246644 4.227110 0.000000 C17H22N2O4 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 296.1928999999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;5;6;1;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.8208,-1.8463,-.9539;-1.4181,-1.1467,1.1097;1.2613,-1.9925,2.334;2.0482,-1.147,-2.1163;1.3594,-1.7693,.0253;3.1634,-.4751,-.1913;-3.8946,.2104,-.2107;-2.7739,1.1485,-.5308;-2.6228,-.3742,-.833;-5.0944,.2206,-1.1428;-4.2677,-.0867,1.2288;-1.9412,1.8187,.5074;-1.6141,-1.1339,-.0891;-.6583,2.1687,.3378;.1291,2.8513,1.424;.1121,1.8865,-.9235;.2568,-2.6065,-.386;1.7521,-1.5224,1.3253;2.1976,-1.1046,-.9035;2.9249,-.573,1.241;4.1151,.465,-.7736;3.7936,1.8628,-.4767;3.5234,3.0033,-.2091;-2.8911,1.7094,-1.454;-2.6792,-.6391,-1.8807;-4.8038,.4335,-2.1746;-5.6055,-.747,-1.1227;-5.8083,.9872,-.825;-4.7261,-1.0775,1.3017;-3.4178,-.0573,1.9062;-5.0048,.6485,1.5672;-2.4202,2.0334,1.4592;.5302,3.8086,1.0714;-.4754,3.0352,2.3152;.9937,2.2397,1.7093;.4767,2.8205,-1.3662;1.0018,1.2955,-.6914;-.4703,1.3515,-1.6731;-.0777,-3.1764,.4779;.5793,-3.2664,-1.1865;2.644,.3923,1.6753;3.7863,-.9729,1.7793;4.1268,.2993,-1.852;5.1138,.2311,-.3956;3.2754,4.0147,.0202; 0.4089880 0.1921278 0.1635944 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= 638 RedAO= T EigKep= 1.30D-06 NBF= 638 NBsUse= 638 1.00D-06 EigRej= -1.00D+00 NBFU= 638 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= 658 658 658 658 658 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1071.77541289098 -1071.77541289 1 1.067274633691e+03 -6.629169549132e+03 2.425520262597e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323734244 LenY= 11323296662 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= 45. Will process 46 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111 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. 13922 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 810000000 NMat= 135 IRICut= 337 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 138 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 135 vectors produced by pass 0 Test12= 4.70D-14 1.00D-09 XBig12= 1.81D+02 5.28D+00. AX will form 135 AO Fock derivatives at one time. 135 vectors produced by pass 1 Test12= 4.70D-14 1.00D-09 XBig12= 3.92D+01 1.18D+00. 135 vectors produced by pass 2 Test12= 4.70D-14 1.00D-09 XBig12= 5.24D-01 7.05D-02. 135 vectors produced by pass 3 Test12= 4.70D-14 1.00D-09 XBig12= 2.17D-03 4.61D-03. 135 vectors produced by pass 4 Test12= 4.70D-14 1.00D-09 XBig12= 5.70D-06 1.46D-04. 114 vectors produced by pass 5 Test12= 4.70D-14 1.00D-09 XBig12= 1.04D-08 6.18D-06. 37 vectors produced by pass 6 Test12= 4.70D-14 1.00D-09 XBig12= 1.52D-11 4.53D-07. 3 vectors produced by pass 7 Test12= 4.70D-14 1.00D-09 XBig12= 2.04D-14 1.99D-08. InvSVY: IOpt=1 It= 1 EMax= 2.84D-14 Solved reduced A of dimension 829 with 138 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 315.22 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 326.920 18.132 306.412 0.326 8.311 312.319 317.474 10.439 312.698 -0.771 10.880 322.381 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT51394.200S Sat Sep 7 18:50:10 2024 -19.17796 -19.13072 -19.12215 -19.12180 -14.38304 -14.36965 -10.32870 -10.31394 -10.31196 -10.27603 -10.24108 -10.22832 -10.19669 -10.18786 -10.18766 -10.18543 -10.17627 -10.17444 -10.15877 -10.15610 -10.15496 -10.15357 -10.15310 -1.12108 -1.09647 -1.07118 -1.03449 -1.00039 -0.94520 -0.88340 -0.81015 -0.80616 -0.76717 -0.74996 -0.73253 -0.71894 -0.69645 -0.68734 -0.68610 -0.65312 -0.64247 -0.60310 -0.56912 -0.55210 -0.54879 -0.53817 -0.52734 -0.51735 -0.50495 -0.49858 -0.49151 -0.48456 -0.47873 -0.46989 -0.46694 -0.45418 -0.45367 -0.44752 -0.44037 -0.43497 -0.43112 -0.42615 -0.42165 -0.41141 -0.40379 -0.40072 -0.38554 -0.38103 -0.37764 -0.37515 -0.36706 -0.36239 -0.35035 -0.34030 -0.32965 -0.31704 -0.31107 -0.30129 -0.29712 -0.29344 -0.29021 -0.28875 -0.28500 -0.27329 -0.23410 -0.03211 -0.02375 0.00038 0.00667 0.01019 0.01134 0.01846 0.02161 0.02510 0.02825 0.03095 0.03598 0.03673 0.04367 0.04710 0.04977 0.05323 0.05628 0.05855 0.06356 0.06631 0.06786 0.07006 0.07584 0.07779 0.08217 0.08614 0.09041 0.09575 0.10113 0.10550 0.10815 0.11063 0.11241 0.11305 0.11823 0.12351 0.12496 0.12643 0.12988 0.13289 0.13738 0.14014 0.14447 0.14616 0.14870 0.15249 0.15613 0.15715 0.15990 0.16283 0.16426 0.16949 0.17112 0.17280 0.17554 0.17684 0.18195 0.18494 0.18747 0.18907 0.19102 0.19348 0.19866 0.19928 0.20135 0.20464 0.20566 0.20819 0.21305 0.21437 0.21783 0.21921 0.22356 0.22594 0.22645 0.22998 0.23214 0.23438 0.23516 0.23985 0.24200 0.24488 0.24811 0.25000 0.25368 0.25605 0.25969 0.26126 0.26420 0.26640 0.27152 0.27230 0.27487 0.27657 0.28004 0.28354 0.28773 0.29218 0.29810 0.29967 0.30294 0.30418 0.30702 0.30895 0.31699 0.31909 0.31997 0.32295 0.32475 0.33186 0.33340 0.33722 0.33902 0.34399 0.34947 0.35474 0.35827 0.36041 0.36516 0.36789 0.37432 0.37958 0.38307 0.38804 0.39388 0.40120 0.40346 0.40958 0.41537 0.42102 0.42627 0.43510 0.43952 0.44251 0.44802 0.45037 0.45128 0.45735 0.46887 0.47298 0.48320 0.48499 0.49483 0.50033 0.50764 0.51310 0.52053 0.52807 0.53836 0.54905 0.55397 0.56256 0.56414 0.57161 0.57646 0.58099 0.58602 0.59494 0.59902 0.60079 0.60619 0.61461 0.61735 0.61947 0.62597 0.63427 0.64546 0.65108 0.65931 0.66021 0.66785 0.66822 0.67117 0.67370 0.67808 0.68445 0.68893 0.69140 0.69675 0.69809 0.69948 0.70744 0.71101 0.71574 0.71808 0.72548 0.72603 0.72876 0.73106 0.73773 0.73967 0.74394 0.75123 0.75579 0.76174 0.76733 0.77138 0.77849 0.78160 0.78347 0.79048 0.80012 0.80401 0.80799 0.81283 0.82123 0.82901 0.83399 0.84648 0.86315 0.87027 0.87596 0.90268 0.90784 0.91028 0.92217 0.93199 0.94174 0.95491 0.95813 0.96378 0.96809 0.98919 0.99604 1.00271 1.01516 1.02188 1.02869 1.04210 1.04576 1.05647 1.06605 1.08832 1.09215 1.09995 1.10944 1.11400 1.11681 1.13309 1.14008 1.15052 1.16559 1.17135 1.18157 1.19324 1.20092 1.20893 1.21965 1.22523 1.24129 1.25099 1.25473 1.26126 1.26925 1.27375 1.28906 1.29221 1.29517 1.30303 1.30968 1.31691 1.32729 1.33928 1.35269 1.35635 1.37589 1.38061 1.39566 1.40390 1.42076 1.42316 1.42617 1.43098 1.44942 1.45766 1.45853 1.46861 1.47180 1.48172 1.48355 1.49805 1.50465 1.51096 1.51148 1.52246 1.53657 1.54202 1.55166 1.55483 1.56754 1.58063 1.58154 1.58646 1.59912 1.60365 1.61460 1.61960 1.62313 1.62709 1.62933 1.63618 1.64711 1.65362 1.65553 1.66481 1.66842 1.67081 1.67390 1.68180 1.68870 1.69687 1.70541 1.71149 1.71986 1.72340 1.73461 1.74034 1.74903 1.75145 1.76239 1.76989 1.78621 1.78836 1.79552 1.80170 1.80505 1.81127 1.82935 1.83003 1.83604 1.84221 1.84938 1.86467 1.87296 1.88920 1.89651 1.90273 1.91421 1.91691 1.92590 1.93369 1.96089 1.97079 1.97481 1.98065 1.98821 2.00054 2.00830 2.01793 2.02215 2.04489 2.05573 2.06105 2.07471 2.07766 2.08006 2.09065 2.11176 2.12190 2.13173 2.14507 2.15224 2.16332 2.17029 2.18226 2.19569 2.20496 2.21578 2.22098 2.24467 2.25730 2.26483 2.27445 2.30457 2.34569 2.35892 2.36285 2.38454 2.40439 2.42781 2.43083 2.43652 2.45687 2.46367 2.47254 2.48020 2.48972 2.49475 2.52236 2.52405 2.52857 2.53460 2.53631 2.54265 2.54561 2.55605 2.56121 2.56540 2.57078 2.57712 2.58446 2.59566 2.60027 2.61793 2.63823 2.64503 2.65129 2.65819 2.66672 2.67340 2.67609 2.67975 2.70227 2.71095 2.72063 2.73594 2.74514 2.74952 2.75576 2.76879 2.77232 2.78015 2.79548 2.80402 2.81665 2.82501 2.83187 2.84129 2.84548 2.85922 2.86318 2.88121 2.89146 2.89588 2.90385 2.91074 2.91623 2.92291 2.93127 2.93476 2.94539 2.95711 2.96418 2.97102 2.97884 2.99715 3.00328 3.01137 3.01635 3.02837 3.03497 3.05101 3.06212 3.07504 3.09028 3.10948 3.13233 3.15767 3.16832 3.17756 3.19564 3.21600 3.23308 3.24023 3.25991 3.26974 3.32554 3.33997 3.34701 3.36603 3.37710 3.39023 3.41431 3.47809 3.48644 3.50948 3.53606 3.54657 3.55279 3.58860 3.60494 3.61391 3.63088 3.69378 3.70601 3.73239 3.77415 3.77909 3.78366 3.80158 3.82819 3.83883 3.84958 3.85071 3.85811 3.86123 3.86431 3.89577 3.92340 3.96149 3.98038 4.01406 4.07294 4.08906 4.11756 4.14709 4.15656 4.16788 4.27929 4.31029 4.34117 4.56596 4.61452 4.69132 4.89539 4.94654 5.08136 5.09411 5.10852 5.11095 5.15610 5.23123 5.31021 5.35861 5.41338 5.65615 5.76570 5.85041 5.91033 23.57379 23.72968 23.82348 23.83306 23.85791 23.86981 23.87171 23.88383 23.90731 23.91714 23.96233 23.98229 24.00220 24.01341 24.03453 24.27474 25.13376 35.50117 35.59938 49.92686 50.00473 50.04092 50.06226 1-A. Mulliken charges: 1 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 O O O O N N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H -0.002818 -0.292840 -0.426450 -0.448668 0.045365 0.103173 0.039444 0.215325 0.154202 -0.295011 -0.687828 -0.501678 -0.532257 0.758184 -0.696234 -0.949650 -0.016004 0.190060 -0.020382 -0.298201 -0.671232 1.440724 -1.238962 0.198855 0.196085 0.157243 0.163273 0.163991 0.162980 0.155416 0.160735 0.153061 0.168813 0.154142 0.156225 0.174226 0.174400 0.167776 0.220672 0.235462 0.247673 0.239479 0.234024 0.234948 0.212255 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 O O O O N N C C C C C C C C C C C C C C C C C -0.002818 -0.292840 -0.426450 -0.448668 0.045365 0.103173 0.039444 0.414180 0.350287 0.189495 -0.208697 -0.348616 -0.532257 0.758184 -0.217054 -0.433247 0.440130 0.190060 -0.020382 0.188952 -0.202259 1.440724 -1.026707 -0.00000 1.11033107e+00 1.22688021e+00 -4.98770010e-01 3.26919964e+02 1.81324264e+01 3.06412218e+02 3.26250611e-01 8.31113322e+00 3.12319017e+02 -7.4342 0.0002 0.0005 0.0007 7.0514 7.4559 28.4654 33.6764 40.6715 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 28.2206 33.5787 40.5914 55.7612 66.3825 74.5948 79.3268 91.0368 114.6542 125.1045 143.8141 157.6144 169.6285 182.9389 187.3946 202.0477 206.8440 228.4523 236.5166 243.0241 271.6847 275.0107 286.2912 306.2280 336.6986 349.6495 361.3689 374.7929 387.6708 405.3764 424.4238 465.1819 467.8858 506.1715 542.6481 575.5714 580.7140 618.9032 651.8719 661.0328 675.0681 687.4240 726.3827 729.2483 756.2846 789.2901 801.2844 824.6243 835.2712 853.7612 859.9243 914.5317 923.8337 944.5638 947.3834 956.3021 967.1883 976.4966 1004.0612 1005.0609 1007.1015 1019.5540 1028.5630 1053.7479 1075.7524 1083.8737 1099.7614 1111.1059 1134.8857 1141.2661 1168.5114 1196.5307 1208.8265 1212.3392 1222.0656 1236.3177 1261.5229 1328.5666 1328.7935 1351.6134 1357.1393 1382.4795 1386.9053 1398.3367 1404.8742 1406.6279 1407.6632 1415.8089 1423.6052 1439.4352 1449.3304 1451.2333 1456.2218 1468.8427 1470.2066 1471.5107 1472.7377 1475.6088 1477.1970 1483.3200 1489.7196 1498.7744 1686.0775 1705.9614 1716.1860 1767.7309 2213.3531 3004.0011 3017.7999 3024.9753 3027.3177 3048.2238 3049.8250 3061.4857 3076.5041 3078.8314 3086.4054 3094.6969 3095.0174 3107.6163 3112.5250 3119.5987 3120.4544 3128.6294 3135.1063 3147.6996 3181.1515 3183.7020 3443.4408 4.7129 4.5178 4.1110 5.3503 5.1485 3.5941 4.1208 4.4051 5.3306 2.8288 3.9712 3.7453 2.8737 1.3746 1.8132 2.1918 1.3107 1.9040 3.3021 2.6600 2.0570 2.0170 4.2990 3.6796 2.4204 2.7574 3.8801 4.3728 3.1245 4.3069 2.6098 2.9520 2.8951 2.8582 5.1028 3.3429 3.5427 5.1430 4.8856 4.6939 4.5028 1.2696 1.2957 4.2855 9.7053 4.9444 4.2558 2.8286 3.0068 3.3461 2.2445 4.1802 3.9186 3.1682 1.6300 2.1631 1.4090 1.4254 1.3533 1.9649 2.0892 1.8757 3.2107 2.3459 1.6964 1.4127 1.7002 4.5038 1.9464 1.8361 2.3472 2.0673 2.0835 1.2051 2.4610 2.0128 2.2259 1.6881 1.7397 1.5786 1.6017 1.5154 1.3706 2.2026 1.3224 1.3437 1.3348 1.2920 1.4924 1.8619 1.2076 1.2043 1.0449 1.0495 1.0515 1.2273 1.0709 1.0894 1.0670 1.5188 1.0883 1.2042 10.1413 6.7412 10.9387 11.8522 5.7784 1.0379 1.0357 1.0481 1.0412 1.0925 1.0691 1.0640 1.1024 1.1017 1.0853 1.1008 1.1022 1.1021 1.0998 1.0880 1.0577 1.1004 1.0891 1.0952 1.0894 1.1127 1.1681 0.0022 0.0030 0.0040 0.0098 0.0134 0.0118 0.0153 0.0215 0.0413 0.0261 0.0484 0.0548 0.0487 0.0271 0.0375 0.0527 0.0330 0.0585 0.1088 0.0926 0.0895 0.0899 0.2076 0.2033 0.1617 0.1986 0.2985 0.3619 0.2767 0.4170 0.2770 0.3764 0.3734 0.4315 0.8853 0.6525 0.7039 1.1607 1.2232 1.2085 1.2090 0.3535 0.4028 1.3428 3.2706 1.8148 1.6099 1.1333 1.2360 1.4370 0.9779 2.0599 1.9705 1.6654 0.8620 1.1655 0.7766 0.8008 0.8038 1.1695 1.2485 1.1487 2.0013 1.5348 1.1566 0.9778 1.2115 3.2760 1.4770 1.4090 1.8883 1.7439 1.7938 1.0436 2.1655 1.8126 2.0871 1.7556 1.8098 1.6991 1.7381 1.7065 1.5533 2.5376 1.5378 1.5665 1.5584 1.5259 1.7820 2.2730 1.4945 1.4943 1.3055 1.3341 1.3392 1.5657 1.3685 1.3976 1.3717 1.9689 1.4230 1.5938 16.9862 11.5592 18.9820 21.8214 16.6786 5.5184 5.5572 5.6509 5.6221 5.9807 5.8590 5.8756 6.1473 6.1527 6.0913 6.2113 6.2208 6.2708 6.2775 6.2386 6.0679 6.3459 6.3071 6.3934 6.4953 6.6447 8.1608 0.8778 0.9763 1.3388 1.7714 4.9394 0.5424 0.1932 6.5558 4.7634 2.2144 4.4019 5.4893 10.7604 0.1559 2.9658 4.0589 0.8742 2.6101 12.8409 0.8734 1.0416 3.5909 7.8699 1.7952 18.9299 19.9607 12.6847 38.5825 4.7848 19.0738 6.6715 14.8686 15.1835 7.6711 3.7698 19.1297 7.1268 41.2704 13.7107 62.2469 21.6639 81.1001 63.4153 61.6950 46.2557 6.9078 43.4877 93.3941 1.1105 56.3758 9.0787 12.7866 119.8447 59.7384 28.1431 26.7098 0.4861 1.3791 26.6811 8.8019 85.0907 44.4230 124.3545 335.4385 198.6727 85.7510 4.2604 43.8642 265.7839 8.4054 89.7725 2.2204 16.2605 19.0396 141.3012 5.6143 206.5150 54.2470 6.8726 44.0061 160.9362 82.4898 90.1704 151.7959 9.8897 1.6191 25.1609 20.0343 49.5438 113.9087 47.5598 50.8392 2.2180 16.2308 0.3703 93.6235 39.7889 16.6674 19.2649 312.6261 31.1918 2.4730 1776.3781 65.5389 826.9040 328.5896 0.1661 51.2878 45.4456 51.6352 67.5121 41.5102 9.0173 12.7721 0.4681 105.4752 27.3381 49.3184 46.0054 2.2452 1.1962 10.6396 17.6761 31.6217 28.1342 22.4789 5.3879 0.1977 137.4085 -0.01 -0.01 -0.00 0.10 0.10 -0.01 0.05 -0.14 -0.02 -0.06 0.06 -0.00 0.00 -0.04 -0.01 -0.01 -0.03 0.00 0.01 -0.01 0.04 -0.03 0.00 -0.05 0.00 -0.00 0.01 -0.03 -0.10 0.09 0.08 0.04 0.07 -0.03 0.09 -0.10 0.04 0.04 0.00 -0.03 0.08 -0.12 -0.04 0.17 -0.17 -0.02 -0.02 -0.09 -0.01 -0.02 -0.02 0.03 -0.10 -0.01 -0.02 0.00 -0.00 0.03 -0.10 0.00 -0.04 0.02 0.02 -0.02 -0.01 0.15 -0.01 -0.03 0.25 -0.08 -0.04 -0.07 -0.04 -0.05 0.03 -0.08 -0.13 0.07 0.00 -0.11 0.16 -0.04 -0.11 0.08 0.11 0.03 0.13 0.11 0.09 0.03 0.08 0.04 0.07 -0.04 0.17 -0.12 -0.04 0.14 -0.25 -0.06 0.25 -0.20 -0.05 0.20 -0.11 -0.02 -0.06 -0.17 -0.02 0.00 -0.03 -0.01 -0.09 -0.05 -0.01 -0.03 -0.02 -0.02 -0.02 -0.03 0.05 -0.12 0.06 0.04 -0.13 -0.04 -0.09 0.10 0.01 -0.02 -0.01 -0.04 0.00 -0.05 0.34 -0.02 -0.04 -0.02 -0.06 -0.13 0.00 -0.05 -0.03 -0.01 0.00 0.05 0.01 -0.03 0.02 -0.00 -0.08 0.10 0.05 0.01 0.01 0.05 0.05 -0.05 0.01 -0.04 -0.06 0.02 -0.01 0.08 0.07 0.02 0.05 0.06 0.13 -0.09 -0.02 -0.04 -0.09 0.00 0.11 -0.07 -0.11 0.19 -0.12 -0.13 0.01 0.01 -0.19 0.01 -0.01 -0.03 -0.06 0.01 0.01 -0.03 0.06 0.02 -0.09 0.06 0.04 -0.05 0.07 0.07 -0.01 0.08 0.07 0.04 0.09 0.06 0.06 -0.05 0.01 -0.08 -0.07 0.02 -0.02 0.05 0.06 -0.07 0.11 0.10 0.05 0.13 0.08 -0.04 0.08 0.07 0.04 0.00 0.04 0.08 0.10 0.06 0.20 -0.15 0.03 0.16 -0.10 -0.12 0.25 -0.17 -0.08 0.21 -0.13 -0.22 -0.10 0.04 -0.20 0.08 0.07 -0.28 -0.02 -0.03 -0.14 0.02 -0.05 -0.05 0.04 0.03 -0.05 -0.14 0.04 0.05 -0.08 0.09 0.04 -0.03 0.08 0.07 -0.06 0.04 0.08 0.07 0.10 0.05 -0.02 -0.09 0.07 -0.01 0.01 0.04 0.07 0.08 0.04 -0.13 -0.07 -0.03 -0.01 -0.03 0.02 -0.07 0.04 -0.10 0.03 0.01 -0.06 0.06 -0.02 -0.02 0.04 -0.02 -0.01 0.06 0.02 -0.10 -0.03 0.01 -0.07 0.03 -0.03 0.01 0.00 -0.03 0.03 0.03 -0.00 0.03 0.01 -0.02 0.06 0.04 0.03 0.03 -0.01 -0.06 0.10 0.03 0.04 -0.00 -0.08 -0.03 -0.04 0.01 0.06 -0.08 -0.13 0.05 -0.17 -0.01 0.04 0.04 0.09 0.01 0.23 0.10 -0.02 -0.03 0.07 -0.03 -0.01 0.11 0.02 -0.09 0.05 0.03 -0.12 0.06 0.04 -0.13 -0.06 0.03 -0.09 -0.05 -0.02 -0.04 -0.02 0.03 -0.09 0.02 -0.06 0.01 0.01 -0.01 0.08 -0.01 -0.04 0.05 0.01 -0.02 0.06 0.06 0.04 0.07 0.03 0.01 0.03 0.05 0.06 0.01 0.01 -0.01 0.14 -0.02 -0.11 0.13 0.02 0.06 -0.08 0.04 0.08 -0.13 -0.33 0.17 -0.19 -0.07 -0.03 -0.37 0.19 -0.00 0.40 -0.00 0.09 0.01 -0.15 -0.10 0.03 0.01 0.16 -0.02 0.04 0.06 -0.03 0.02 0.11 -0.02 0.14 -0.05 -0.04 -0.09 -0.00 0.01 -0.07 -0.04 -0.03 -0.11 -0.05 0.03 -0.10 -0.00 0.03 -0.09 0.07 0.03 -0.05 -0.02 -0.05 -0.09 -0.03 0.03 -0.03 -0.09 -0.03 -0.05 -0.04 -0.05 0.00 -0.17 0.01 0.02 0.11 -0.01 0.05 0.09 -0.02 0.07 0.04 -0.03 0.13 -0.02 -0.04 0.12 -0.03 -0.04 0.13 -0.05 0.06 0.13 -0.07 0.17 -0.06 -0.06 -0.04 -0.12 -0.08 0.03 -0.10 -0.05 0.01 -0.13 0.02 0.07 -0.07 0.03 0.00 -0.11 0.08 0.08 -0.08 0.07 0.02 -0.06 0.10 0.00 -0.07 0.06 -0.07 0.01 -0.08 -0.10 -0.07 0.05 -0.08 -0.08 -0.06 0.04 -0.14 -0.18 -0.13 0.09 -0.01 0.09 0.07 -0.36 0.09 0.04 0.09 -0.01 0.02 0.11 -0.02 0.22 0.01 -0.05 0.10 -0.09 -0.04 0.06 0.03 -0.05 0.14 -0.05 -0.11 0.13 -0.10 0.27 -0.00 -0.01 0.06 -0.08 -0.06 0.06 0.15 -0.12 0.04 -0.16 0.21 0.05 -0.00 0.05 0.05 0.05 -0.04 0.01 -0.02 0.01 -0.05 0.02 -0.03 -0.01 -0.01 -0.04 0.01 0.03 0.05 -0.11 -0.10 0.03 -0.07 0.02 -0.05 0.01 -0.04 -0.04 0.05 -0.01 0.04 -0.03 0.00 -0.00 -0.02 -0.05 0.17 -0.09 0.01 0.02 0.07 0.11 -0.08 0.04 -0.05 0.09 0.04 0.16 -0.14 0.02 0.04 -0.03 0.01 -0.00 -0.03 -0.04 -0.04 -0.02 -0.10 0.08 -0.04 -0.02 0.02 -0.05 0.01 0.09 0.03 -0.10 -0.01 0.06 -0.13 0.04 0.07 -0.15 -0.17 0.06 -0.09 -0.13 -0.03 -0.03 -0.07 0.08 -0.10 0.05 -0.16 0.05 -0.08 0.05 0.04 0.04 -0.12 0.03 0.06 0.03 -0.11 -0.10 0.22 -0.02 -0.03 0.18 -0.17 -0.07 0.21 -0.11 0.03 0.02 0.08 0.02 0.01 0.07 0.26 -0.16 0.12 0.18 -0.24 -0.08 0.07 -0.05 0.01 0.03 0.00 0.04 -0.08 -0.02 -0.15 -0.03 -0.05 0.00 0.02 -0.01 0.00 0.03 -0.10 -0.01 -0.09 0.11 0.01 -0.03 0.00 0.00 -0.09 0.09 0.02 0.01 -0.00 -0.02 0.01 -0.01 -0.03 0.00 -0.02 -0.00 0.00 -0.02 -0.02 0.01 0.04 -0.01 -0.02 0.02 -0.03 -0.00 -0.02 0.00 0.01 -0.04 0.04 -0.05 0.04 0.02 0.09 -0.17 0.12 -0.00 -0.02 -0.01 -0.01 -0.04 0.00 -0.07 0.07 0.01 -0.05 0.01 0.02 -0.01 0.01 0.03 0.09 0.05 -0.04 0.20 0.09 -0.13 0.02 -0.03 -0.05 0.00 -0.03 0.00 0.00 -0.05 -0.02 0.00 -0.02 0.00 0.01 -0.01 -0.03 -0.00 0.04 0.02 0.02 0.04 -0.02 0.02 0.05 -0.02 -0.08 0.14 -0.09 0.03 -0.02 -0.06 -0.12 0.19 -0.05 -0.11 0.03 0.17 -0.08 -0.20 -0.07 0.20 0.05 0.27 0.21 -0.44 0.22 0.01 -0.04 -0.01 0.01 -0.01 -0.02 -0.07 -0.02 0.08 -0.02 0.01 -0.02 0.01 -0.03 0.03 -0.04 -0.06 0.07 0.30 0.13 -0.21 -0.02 -0.04 -0.02 0.01 -0.03 -0.02 -0.06 0.04 -0.00 0.01 -0.02 -0.00 -0.03 0.02 -0.00 -0.03 0.01 0.01 -0.01 -0.06 0.03 -0.02 -0.03 0.04 -0.01 -0.02 -0.00 -0.02 -0.05 0.04 0.01 -0.11 0.02 -0.02 -0.04 0.03 -0.00 -0.03 -0.02 -0.06 0.09 -0.01 -0.07 0.10 -0.01 -0.08 0.24 -0.06 -0.00 -0.01 -0.02 -0.05 0.03 -0.00 -0.01 0.01 0.00 -0.05 0.03 0.01 0.06 -0.08 0.01 0.18 -0.05 0.00 0.30 -0.02 0.00 -0.04 -0.02 0.05 -0.01 -0.00 -0.01 -0.03 -0.02 0.04 0.00 -0.06 0.02 -0.03 -0.08 0.07 0.05 -0.13 -0.01 0.01 -0.10 0.02 -0.02 -0.15 0.04 0.02 -0.14 0.08 -0.19 0.17 0.03 -0.03 -0.02 0.04 0.02 0.18 -0.10 -0.09 0.29 0.04 -0.07 0.20 -0.14 -0.09 0.32 -0.11 0.00 -0.02 -0.02 0.02 0.00 -0.02 -0.05 0.03 -0.01 -0.05 0.03 0.02 0.04 -0.09 0.01 0.03 -0.17 0.01 0.41 0.00 0.01 0.02 -0.02 0.01 -0.11 -0.24 0.05 -0.00 -0.04 -0.04 0.08 -0.07 -0.03 0.03 -0.05 -0.04 -0.00 0.00 -0.01 0.02 0.02 0.01 0.08 -0.04 0.01 0.00 -0.06 0.05 0.04 0.09 -0.01 -0.01 0.10 0.01 0.03 -0.00 0.02 -0.04 -0.11 0.04 0.01 0.09 0.03 -0.10 0.28 -0.02 0.06 0.05 0.07 0.03 -0.04 -0.05 -0.00 -0.02 -0.03 0.04 -0.04 -0.03 -0.03 0.02 -0.02 -0.01 0.02 0.00 -0.04 0.02 -0.01 -0.08 0.01 -0.01 0.13 -0.06 -0.01 0.01 -0.05 0.04 0.07 0.03 -0.01 -0.04 0.13 0.02 0.10 0.16 -0.05 -0.12 0.16 0.04 -0.01 0.03 0.01 0.07 0.20 -0.01 -0.01 0.03 -0.01 -0.24 0.32 -0.10 -0.13 0.27 -0.04 -0.01 0.44 0.04 0.10 0.02 0.06 0.04 0.03 0.14 0.09 0.02 0.07 0.05 -0.08 -0.06 0.02 -0.01 -0.08 -0.08 0.02 -0.04 -0.03 0.06 0.01 0.01 0.02 0.00 -0.01 0.04 0.02 -0.12 0.00 -0.02 -0.04 -0.13 -0.05 0.04 -0.03 -0.07 -0.15 0.20 0.02 -0.15 0.18 0.02 -0.07 0.08 0.01 0.04 -0.08 -0.01 0.07 -0.03 0.01 0.07 -0.02 0.05 0.05 0.00 -0.05 0.05 0.05 0.03 0.10 -0.15 -0.01 0.08 -0.03 0.05 0.02 -0.05 -0.06 0.07 0.00 0.03 0.04 0.14 -0.04 0.07 -0.06 0.04 0.01 -0.02 -0.00 -0.08 0.10 0.01 -0.07 0.06 0.01 0.02 -0.03 -0.00 0.02 -0.05 -0.00 -0.03 -0.07 -0.00 -0.14 -0.10 0.02 0.05 0.02 0.07 0.05 0.05 -0.06 0.04 0.11 0.04 0.04 0.05 -0.02 0.07 0.04 0.10 0.22 -0.21 -0.06 0.10 -0.09 -0.01 0.01 -0.26 0.03 0.07 0.01 0.03 -0.02 0.13 -0.13 0.03 0.18 -0.05 0.08 0.21 0.01 -0.09 -0.07 -0.11 0.16 0.12 0.10 0.12 -0.25 0.14 0.04 -0.03 0.00 0.09 -0.01 0.02 0.14 0.00 -0.02 -0.02 -0.13 0.01 0.05 -0.06 0.00 0.02 -0.03 0.02 -0.24 -0.13 0.04 -0.03 -0.09 -0.00 0.07 0.03 -0.02 -0.04 0.04 -0.02 -0.01 0.05 -0.01 -0.02 0.03 -0.02 0.02 -0.02 -0.00 0.02 0.00 -0.00 0.03 -0.05 -0.10 -0.02 -0.08 0.00 -0.03 -0.05 0.06 0.07 0.18 0.05 -0.01 -0.03 -0.09 0.01 -0.04 -0.01 -0.00 0.00 -0.00 -0.09 -0.09 0.12 0.07 0.10 0.03 0.02 -0.02 -0.01 -0.03 0.03 -0.01 -0.00 0.02 -0.01 -0.01 0.01 -0.00 0.03 -0.02 0.02 0.00 -0.02 -0.00 -0.04 -0.03 -0.00 0.04 -0.10 -0.13 -0.07 -0.14 0.02 -0.07 -0.15 0.02 -0.05 -0.04 0.17 0.00 -0.01 0.02 -0.17 0.30 0.15 0.13 0.02 -0.02 0.28 0.39 0.07 -0.04 -0.08 -0.10 -0.05 -0.06 0.24 -0.15 -0.17 0.09 -0.11 -0.12 0.13 0.16 0.13 0.16 0.02 0.02 0.02 0.08 0.22 -0.07 0.06 -0.04 -0.01 0.05 -0.01 -0.02 0.00 0.02 -0.02 -0.03 -0.00 0.02 0.06 -0.02 0.02 0.02 -0.01 0.05 -0.08 -0.04 -0.01 -0.10 -0.13 0.06 0.15 0.18 0.04 0.02 -0.06 -0.07 0.10 -0.01 -0.05 -0.03 0.07 -0.05 0.03 0.00 -0.01 -0.04 -0.00 0.00 0.01 -0.05 0.06 -0.03 -0.06 0.06 0.02 0.10 -0.08 -0.15 -0.01 -0.03 0.01 -0.07 0.07 0.00 -0.00 0.07 -0.01 -0.03 0.02 0.01 0.04 -0.04 -0.06 -0.04 -0.01 0.01 -0.01 -0.01 -0.01 0.02 -0.05 0.03 0.02 -0.04 -0.05 0.06 -0.02 0.07 -0.01 0.04 0.04 -0.02 0.02 -0.04 -0.04 0.03 0.06 -0.04 0.06 -0.02 -0.06 0.06 0.11 0.11 -0.06 -0.06 0.15 -0.15 0.06 0.16 -0.11 -0.37 0.09 -0.11 -0.15 -0.24 -0.01 0.01 0.14 0.01 0.03 -0.10 0.09 -0.06 0.05 -0.10 0.04 0.05 -0.02 0.05 0.10 -0.06 -0.27 -0.02 -0.15 0.07 0.16 -0.01 -0.02 -0.23 0.10 0.12 -0.04 0.01 0.02 0.02 -0.03 -0.13 0.07 -0.08 -0.07 0.13 0.06 0.15 -0.03 0.04 0.05 -0.02 0.12 -0.11 -0.06 0.04 0.02 -0.02 -0.08 0.01 0.05 -0.13 0.14 -0.05 0.07 0.01 -0.09 0.05 -0.02 0.05 0.07 0.01 0.01 0.02 -0.02 -0.00 -0.01 -0.01 -0.05 -0.03 -0.07 -0.05 -0.10 -0.11 0.23 0.11 0.05 -0.07 0.00 0.00 -0.08 -0.03 -0.02 -0.01 -0.12 -0.01 -0.03 -0.00 -0.09 0.03 0.01 0.03 -0.00 0.02 -0.00 0.02 0.05 0.06 -0.00 0.06 0.00 -0.02 0.05 0.04 0.02 0.02 -0.02 0.01 -0.03 -0.01 0.01 -0.01 -0.00 0.01 -0.00 -0.04 -0.01 -0.01 -0.12 -0.02 -0.10 -0.17 0.15 0.08 -0.34 0.35 0.18 0.11 0.40 0.18 -0.02 -0.04 -0.04 0.10 -0.19 -0.05 0.13 -0.04 0.10 -0.01 -0.10 -0.03 -0.18 0.07 0.03 -0.12 -0.04 0.01 -0.03 0.11 0.02 -0.01 0.01 0.01 0.06 0.05 0.04 0.07 -0.05 0.02 -0.06 0.07 0.06 0.05 -0.02 0.11 0.04 0.01 0.02 0.06 0.03 0.00 -0.08 0.01 -0.03 0.00 0.02 -0.08 0.01 0.01 0.01 -0.01 0.01 -0.01 -0.06 -0.06 -0.00 0.13 -0.11 0.01 -0.01 0.00 0.01 -0.04 0.07 0.02 -0.00 0.00 -0.00 0.02 0.01 -0.01 0.00 0.04 -0.02 0.02 0.04 -0.01 0.01 -0.06 0.01 0.05 -0.00 -0.00 -0.00 0.04 -0.02 -0.02 -0.00 -0.01 0.01 0.02 -0.00 0.01 -0.03 0.03 0.01 0.04 -0.01 -0.01 0.03 0.01 0.01 0.03 0.01 -0.02 0.03 0.01 -0.11 0.17 -0.01 0.06 -0.07 -0.02 0.06 -0.07 -0.05 -0.09 -0.13 0.05 -0.01 0.03 -0.02 0.02 0.04 -0.02 -0.02 -0.04 0.00 0.07 -0.09 0.02 -0.04 -0.10 0.01 0.22 -0.08 0.03 0.04 0.16 0.01 -0.08 -0.11 -0.04 -0.01 0.06 -0.03 0.16 -0.09 0.02 -0.03 0.08 -0.03 -0.09 -0.12 0.12 -0.19 0.07 -0.11 0.13 0.23 -0.00 0.07 -0.13 0.07 -0.00 0.03 0.02 0.02 0.03 0.03 -0.31 0.20 -0.18 -0.10 0.40 0.14 0.07 -0.11 -0.02 0.04 -0.09 0.01 -0.20 -0.17 0.12 -0.05 -0.05 0.03 -0.03 0.02 0.02 0.02 -0.03 -0.02 0.02 0.03 -0.01 -0.02 0.05 -0.02 0.02 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.01 0.02 0.01 0.00 -0.05 -0.01 0.01 0.02 -0.03 -0.03 -0.01 0.02 0.01 0.00 -0.02 0.00 0.00 -0.01 0.05 -0.05 0.02 -0.00 0.01 0.02 -0.00 0.01 -0.01 0.00 0.02 -0.01 -0.01 0.03 -0.00 0.02 0.00 0.01 0.01 0.00 0.01 0.01 0.00 0.00 -0.01 -0.01 -0.02 -0.00 -0.02 0.01 -0.01 -0.06 -0.01 -0.07 0.05 0.06 0.03 0.07 -0.03 0.22 -0.15 -0.01 -0.04 0.16 0.03 -0.18 -0.21 -0.05 0.01 0.04 -0.03 -0.12 0.07 0.04 0.03 -0.12 0.04 0.08 0.08 -0.10 0.49 -0.11 0.25 -0.21 -0.44 0.02 -0.06 0.33 -0.16 0.04 0.00 0.03 -0.00 0.01 0.01 -0.04 0.03 -0.03 -0.02 0.05 0.03 0.05 -0.00 0.02 0.01 0.01 0.04 0.01 0.00 -0.00 -0.06 -0.07 0.05 -0.04 0.02 0.03 -0.02 -0.00 -0.03 0.07 -0.06 -0.03 -0.03 0.04 -0.02 -0.00 0.01 -0.01 0.01 0.01 -0.00 0.01 0.01 -0.02 -0.00 0.00 -0.00 -0.01 0.01 0.02 0.03 -0.04 -0.01 0.01 0.03 -0.04 -0.03 -0.01 0.03 0.01 0.03 -0.01 -0.01 -0.02 0.04 0.03 0.07 -0.01 -0.01 -0.01 0.03 0.00 -0.01 -0.02 0.02 -0.01 -0.02 0.06 -0.08 -0.01 0.00 0.03 0.03 -0.02 0.03 0.03 -0.01 0.05 -0.02 0.00 -0.01 -0.03 0.00 -0.01 0.00 -0.01 -0.10 -0.01 -0.08 0.05 0.11 0.05 0.09 -0.04 0.34 -0.18 0.02 -0.01 0.25 0.04 -0.22 -0.26 -0.07 -0.00 0.03 -0.04 0.25 -0.14 0.01 -0.10 0.18 -0.07 -0.18 -0.18 0.22 -0.20 0.11 -0.12 0.17 0.29 0.01 0.11 -0.12 0.07 0.04 -0.00 0.05 -0.01 -0.02 0.03 0.15 -0.09 0.08 0.05 -0.19 -0.08 0.03 0.05 0.03 -0.01 0.04 0.05 -0.01 0.06 -0.05 -0.08 -0.08 -0.03 -0.04 -0.02 -0.04 0.05 -0.03 0.01 0.06 -0.09 0.00 -0.09 0.13 0.02 0.00 0.01 0.00 0.00 0.02 -0.00 -0.00 0.04 0.01 0.00 0.05 -0.03 0.01 -0.10 -0.01 0.02 0.03 0.00 0.01 0.01 0.03 -0.04 -0.01 -0.04 0.02 -0.01 0.02 0.04 0.02 -0.01 0.01 -0.02 0.02 -0.02 0.03 0.02 -0.00 0.02 0.01 -0.01 0.01 0.01 0.06 -0.05 0.00 -0.01 0.02 0.00 -0.01 0.02 0.01 0.00 0.03 -0.01 0.00 0.06 0.03 -0.01 0.07 -0.03 -0.05 0.27 0.05 0.33 -0.27 -0.27 -0.25 -0.42 0.19 -0.14 0.11 -0.00 0.06 -0.12 -0.03 0.16 0.15 0.06 0.02 0.02 0.03 -0.13 0.10 0.01 0.10 -0.11 0.07 0.15 0.13 -0.13 0.02 -0.03 0.01 -0.00 -0.03 0.02 -0.01 -0.01 0.02 0.01 0.03 0.03 0.05 0.03 0.04 0.16 -0.05 0.08 0.05 -0.15 -0.06 -0.01 0.03 0.00 -0.00 0.03 -0.01 0.01 0.03 -0.02 -0.01 -0.05 -0.01 0.01 -0.05 -0.01 0.02 0.00 0.01 0.00 0.01 0.01 -0.01 0.02 0.01 0.03 -0.02 0.01 0.00 -0.00 0.00 -0.01 0.01 0.02 0.02 0.01 0.00 0.01 0.04 -0.00 0.00 -0.01 -0.00 -0.03 0.04 0.02 0.01 -0.03 -0.01 -0.04 0.04 -0.01 0.02 -0.00 -0.02 -0.06 -0.01 -0.01 0.02 -0.01 -0.00 0.00 0.01 0.01 0.00 0.00 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.02 -0.00 0.00 0.03 0.01 -0.00 -0.01 0.00 0.02 0.02 0.03 -0.01 0.01 0.09 0.01 0.00 0.04 -0.06 0.01 0.02 0.04 -0.16 0.06 -0.04 0.03 -0.18 -0.03 0.14 0.10 0.06 -0.04 0.06 0.01 0.44 -0.23 -0.15 -0.07 0.40 -0.16 -0.26 -0.27 0.26 0.15 -0.05 0.09 -0.19 -0.21 -0.03 -0.14 0.17 -0.07 0.03 -0.03 -0.01 0.05 0.00 -0.00 -0.01 0.02 -0.03 -0.01 0.03 0.03 -0.02 0.01 -0.00 0.01 0.02 -0.02 0.07 0.02 -0.01 0.01 0.07 0.02 -0.03 0.07 0.02 -0.01 -0.01 -0.01 -0.01 0.02 -0.01 0.02 -0.04 -0.01 0.01 -0.01 -0.00 -0.03 -0.01 0.02 0.01 -0.05 -0.01 -0.06 -0.05 0.00 -0.03 -0.01 0.02 -0.05 -0.07 0.00 0.07 -0.06 -0.04 -0.03 0.02 0.02 0.06 -0.00 -0.03 -0.01 0.03 0.01 0.14 0.05 0.00 -0.02 0.02 0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.02 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.01 0.01 -0.04 -0.01 -0.08 -0.08 0.01 -0.08 0.39 0.08 0.22 -0.15 -0.29 -0.23 -0.29 0.26 -0.11 -0.05 -0.07 -0.05 -0.16 0.01 -0.01 -0.05 0.04 0.09 -0.09 -0.02 0.17 -0.07 -0.05 -0.13 0.23 -0.11 -0.14 -0.05 0.22 0.19 0.06 0.07 0.12 0.03 0.04 0.18 0.08 -0.06 -0.04 0.04 0.02 -0.07 -0.00 0.01 -0.06 0.01 -0.03 -0.02 0.05 0.02 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.02 0.00 -0.01 0.02 -0.00 0.02 -0.02 -0.01 0.01 0.01 0.05 0.01 -0.01 -0.05 -0.04 0.04 -0.06 -0.01 -0.19 0.22 -0.03 0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.02 0.01 -0.01 -0.01 0.04 0.02 0.02 -0.03 -0.01 -0.02 0.02 -0.01 0.01 0.00 0.00 -0.02 0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.02 -0.00 0.00 -0.03 0.04 0.02 -0.01 -0.01 -0.04 0.04 -0.04 0.04 -0.04 -0.03 0.10 -0.03 0.07 0.19 0.01 -0.03 -0.11 -0.08 0.04 -0.02 0.00 -0.00 0.03 0.01 -0.01 -0.03 0.13 0.03 0.00 0.03 -0.05 -0.01 0.00 0.09 -0.11 0.03 -0.04 0.05 -0.17 -0.04 0.13 0.05 0.06 -0.03 0.03 -0.02 0.06 -0.04 -0.02 -0.01 0.04 -0.03 -0.04 -0.05 0.02 0.13 -0.05 0.07 -0.10 -0.15 -0.00 -0.06 0.10 -0.05 -0.01 0.02 0.06 -0.04 -0.07 0.06 0.20 -0.11 0.23 0.11 -0.22 -0.27 0.30 -0.09 0.08 -0.02 -0.19 0.30 -0.33 -0.14 0.07 -0.00 -0.08 0.08 -0.10 0.01 0.02 -0.00 0.02 -0.03 0.00 0.08 -0.03 0.08 -0.11 -0.03 0.06 -0.06 -0.02 0.02 0.02 -0.03 -0.01 0.04 -0.03 0.03 0.04 -0.05 -0.03 0.08 0.04 0.10 -0.02 -0.02 -0.05 0.05 -0.02 -0.02 -0.01 0.01 -0.04 0.00 -0.00 -0.03 -0.04 0.01 -0.07 -0.02 -0.02 0.00 -0.08 0.09 0.03 -0.02 -0.03 0.04 -0.03 -0.03 -0.03 0.04 -0.03 0.03 0.02 0.05 -0.02 0.01 0.05 0.03 0.04 -0.01 -0.03 0.04 -0.03 0.05 0.05 -0.05 -0.13 0.41 0.08 0.11 0.00 -0.19 -0.12 -0.11 0.30 0.01 0.02 -0.04 0.15 -0.14 -0.08 0.19 0.03 0.08 -0.07 0.06 -0.03 -0.17 0.06 0.09 0.03 -0.22 0.08 0.07 0.03 -0.14 -0.18 -0.02 -0.10 -0.01 0.07 -0.02 -0.06 -0.12 0.05 0.03 0.02 0.17 -0.09 -0.18 0.14 -0.15 0.06 -0.14 -0.04 0.17 0.08 0.10 0.04 0.05 0.02 0.06 0.10 0.06 0.06 -0.06 -0.00 -0.01 0.01 0.08 -0.04 0.04 -0.04 -0.02 0.01 0.05 0.02 0.04 0.00 0.01 0.01 -0.02 0.04 0.04 -0.00 0.03 0.00 0.00 -0.00 -0.03 -0.00 -0.03 0.05 0.01 0.11 -0.01 0.02 0.01 0.00 -0.04 0.04 -0.05 0.02 -0.03 0.05 -0.03 0.01 -0.03 -0.06 -0.04 0.01 -0.03 -0.02 -0.02 0.05 -0.00 -0.07 -0.02 -0.01 0.02 0.01 0.02 0.04 0.01 -0.02 0.05 -0.04 -0.01 -0.09 0.01 -0.01 -0.09 -0.00 -0.04 0.02 0.02 -0.05 -0.06 0.00 -0.06 0.05 0.00 0.49 0.06 0.16 0.02 -0.34 -0.11 -0.10 0.22 0.24 -0.09 0.03 -0.00 0.22 0.02 -0.15 -0.14 -0.04 -0.05 0.06 -0.06 -0.09 0.00 0.10 -0.06 -0.15 0.03 -0.03 -0.04 -0.04 -0.04 -0.03 -0.05 -0.03 -0.01 -0.01 -0.04 -0.04 -0.01 0.08 -0.12 -0.14 0.09 0.11 -0.14 0.06 -0.03 0.11 0.01 -0.08 0.01 -0.19 -0.06 -0.09 0.00 -0.02 -0.22 -0.01 -0.06 0.11 0.01 -0.05 -0.06 0.04 0.01 -0.07 0.06 0.05 0.04 -0.05 -0.01 -0.01 0.03 -0.06 0.00 0.00 -0.01 -0.02 -0.02 0.03 0.02 0.01 -0.01 0.02 -0.04 -0.02 -0.00 -0.01 0.01 -0.01 -0.06 0.12 0.03 0.01 -0.05 0.05 0.00 -0.03 -0.07 -0.01 -0.02 0.03 0.00 0.02 -0.00 -0.05 -0.00 0.00 0.01 -0.04 -0.01 0.03 -0.00 0.00 -0.00 -0.02 -0.01 -0.00 0.02 -0.03 0.04 0.01 0.07 0.01 0.01 0.06 0.00 0.02 -0.01 0.04 0.01 0.03 -0.09 0.00 -0.01 -0.02 0.20 0.03 0.13 -0.07 -0.16 -0.12 -0.14 0.09 0.30 -0.03 0.17 -0.15 0.56 0.12 -0.37 -0.09 -0.19 0.01 -0.06 0.05 0.04 -0.02 -0.07 -0.01 0.11 -0.03 -0.03 0.01 0.06 -0.02 -0.00 0.03 -0.07 -0.05 -0.04 -0.09 0.05 -0.00 -0.02 -0.02 -0.01 0.01 -0.06 0.01 -0.03 0.02 -0.06 0.01 0.06 -0.02 0.15 0.03 0.06 0.00 0.00 0.16 -0.01 0.03 -0.07 -0.01 0.08 -0.02 0.13 -0.11 0.07 0.09 0.06 0.05 -0.14 -0.13 -0.02 -0.07 0.06 0.01 0.01 -0.08 -0.07 -0.00 0.00 0.02 -0.02 0.01 -0.03 0.01 -0.01 0.09 0.04 0.07 -0.03 0.00 -0.09 -0.00 -0.03 0.09 -0.09 0.04 -0.00 0.08 -0.01 0.03 -0.07 -0.06 -0.06 0.01 0.05 -0.00 -0.03 -0.02 0.04 -0.09 -0.01 0.04 -0.01 -0.06 -0.03 -0.04 -0.01 0.00 -0.08 0.05 0.01 0.14 -0.03 -0.00 0.18 0.01 0.06 -0.05 -0.04 -0.07 -0.07 0.04 -0.06 0.10 0.09 0.18 0.01 0.03 0.07 -0.16 0.03 0.05 0.01 -0.05 -0.07 -0.10 0.03 -0.22 -0.03 0.06 -0.09 0.11 -0.03 0.13 -0.11 -0.13 0.03 0.17 -0.07 -0.25 0.04 -0.01 -0.04 -0.08 0.02 -0.01 -0.07 0.07 0.05 0.04 0.10 -0.08 -0.02 -0.02 -0.08 -0.17 0.04 0.16 -0.17 -0.01 0.04 -0.15 -0.02 0.05 -0.04 0.25 0.11 0.13 -0.02 0.01 0.31 0.03 0.10 -0.22 0.04 0.12 0.04 -0.04 0.05 0.05 -0.04 -0.05 -0.06 -0.04 -0.05 -0.03 -0.06 0.10 -0.01 -0.01 -0.02 -0.02 0.07 -0.02 -0.03 0.08 -0.06 -0.02 0.02 -0.05 -0.02 0.10 0.04 -0.04 0.20 0.05 0.02 0.01 -0.17 0.06 0.00 0.04 0.04 -0.03 -0.10 0.03 -0.10 0.02 -0.00 -0.13 -0.05 -0.04 -0.03 0.08 0.05 -0.03 0.02 -0.02 -0.03 0.02 -0.03 -0.01 -0.01 -0.02 0.00 -0.01 0.03 -0.02 -0.01 0.03 0.02 0.01 -0.01 0.14 -0.02 -0.00 0.05 -0.08 -0.01 0.15 0.13 -0.01 0.11 0.03 -0.16 0.09 0.01 -0.01 0.31 0.01 0.15 0.25 0.18 -0.06 0.17 0.02 0.02 -0.00 -0.23 0.06 -0.05 -0.04 -0.11 -0.19 0.17 -0.10 -0.14 0.05 0.19 -0.08 -0.05 0.02 -0.17 -0.16 -0.16 -0.23 0.07 -0.04 -0.05 0.14 0.08 -0.05 0.02 0.09 0.03 0.00 -0.02 -0.01 -0.04 -0.03 0.06 0.01 0.02 -0.01 0.00 0.08 0.05 0.02 -0.03 0.00 -0.01 0.01 -0.01 0.01 0.00 -0.02 -0.02 -0.02 0.00 0.00 0.01 0.01 0.00 -0.00 0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.01 -0.00 0.01 0.01 -0.03 0.00 -0.07 0.18 -0.03 0.26 -0.08 0.00 -0.12 0.00 0.00 0.00 0.01 0.00 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 0.01 0.00 0.02 -0.00 0.00 0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.02 0.01 0.02 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.02 -0.02 -0.03 -0.01 -0.02 0.03 -0.01 0.02 -0.01 -0.01 0.02 0.01 -0.01 -0.02 0.01 -0.00 -0.01 0.03 0.03 -0.49 0.28 -0.12 0.09 -0.24 -0.53 -0.24 0.01 -0.36 0.08 -0.01 -0.05 0.04 -0.07 -0.06 -0.06 -0.05 -0.07 0.02 0.02 -0.02 -0.02 0.05 -0.01 0.00 -0.00 -0.01 0.02 -0.03 0.10 -0.03 0.00 0.05 0.02 0.01 0.02 0.11 0.03 -0.00 -0.10 0.00 0.09 -0.00 0.05 -0.04 0.05 -0.00 -0.06 -0.00 0.02 -0.07 -0.07 -0.03 0.01 0.04 -0.01 -0.04 -0.05 0.01 0.19 -0.01 0.02 -0.02 -0.01 0.01 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.13 0.00 0.06 -0.05 0.02 0.02 0.22 0.07 0.04 0.07 0.05 -0.11 0.10 0.04 -0.05 -0.11 0.01 0.08 -0.16 0.03 0.16 -0.14 0.01 -0.01 0.03 0.09 -0.03 -0.07 0.01 0.14 -0.14 -0.14 -0.01 -0.08 -0.04 0.02 0.05 -0.03 -0.07 0.03 -0.00 0.01 0.06 -0.05 -0.03 -0.13 0.34 0.37 -0.10 -0.30 0.42 0.03 0.01 0.00 -0.01 -0.02 -0.00 -0.02 0.01 -0.01 0.00 -0.00 -0.02 -0.00 0.00 -0.01 0.12 0.03 0.02 0.07 -0.03 0.01 -0.13 -0.10 -0.11 -0.11 -0.09 0.01 0.00 0.09 0.02 0.04 -0.01 -0.03 -0.02 -0.03 -0.09 0.03 -0.05 -0.06 -0.00 -0.09 -0.01 -0.15 0.01 0.05 -0.03 0.03 -0.09 -0.05 0.05 0.00 0.05 -0.04 0.02 -0.04 0.07 0.08 0.17 0.02 -0.03 -0.03 0.04 0.10 0.07 0.03 0.09 -0.02 0.02 -0.00 -0.01 0.01 -0.01 0.01 0.01 0.00 0.03 0.02 0.00 0.01 0.02 -0.01 -0.00 0.02 0.01 0.11 -0.11 -0.10 0.05 -0.09 -0.01 -0.33 0.11 0.02 -0.12 -0.01 0.06 -0.12 -0.05 0.26 0.03 -0.00 -0.05 -0.06 0.12 -0.06 -0.10 -0.01 -0.15 -0.13 0.05 -0.04 0.18 -0.01 -0.10 0.38 0.05 0.11 0.18 -0.06 -0.23 -0.02 0.03 0.09 -0.02 0.06 0.15 0.01 0.00 0.10 0.05 0.13 0.14 0.07 -0.05 0.16 0.04 0.03 -0.03 0.00 0.00 0.01 0.08 0.01 0.00 0.02 0.04 0.04 -0.02 0.01 0.03 -0.03 0.07 -0.04 0.16 -0.10 0.01 0.11 0.08 0.06 0.19 0.14 -0.06 -0.04 -0.04 -0.03 -0.08 0.01 0.02 -0.05 0.03 -0.06 0.01 -0.03 -0.05 -0.07 -0.07 0.05 -0.07 -0.00 -0.06 0.09 -0.01 -0.05 -0.03 -0.00 0.00 -0.02 -0.02 0.04 -0.02 0.01 0.05 0.09 0.02 -0.02 -0.01 0.03 0.06 -0.16 0.02 0.10 -0.00 0.01 -0.02 -0.02 0.00 -0.03 -0.02 -0.02 -0.01 -0.08 -0.05 0.01 -0.07 -0.07 0.05 0.01 -0.04 -0.02 0.13 -0.08 -0.09 -0.02 -0.10 0.06 -0.09 -0.01 -0.06 -0.05 -0.02 -0.04 -0.09 -0.02 -0.06 0.18 -0.05 -0.03 0.17 0.01 -0.16 0.09 -0.07 0.08 -0.07 -0.01 -0.02 0.09 -0.02 -0.11 0.20 0.07 0.04 0.10 -0.01 -0.11 -0.02 0.04 0.08 0.00 0.05 0.07 0.02 0.03 0.05 -0.25 0.28 0.24 -0.26 -0.23 0.27 0.00 -0.04 0.04 -0.02 -0.06 -0.05 -0.12 -0.02 0.01 -0.07 -0.08 -0.02 0.08 -0.01 -0.08 -0.01 0.02 -0.03 -0.09 0.10 -0.04 0.01 0.00 0.01 -0.02 -0.01 0.01 0.01 -0.02 0.00 0.01 0.00 0.00 0.00 -0.08 0.07 -0.01 -0.08 0.00 -0.11 -0.14 -0.01 0.14 0.02 -0.10 0.08 -0.02 0.11 -0.06 0.07 -0.03 -0.08 -0.04 -0.04 -0.06 0.14 0.01 0.11 -0.01 -0.01 -0.00 0.02 0.08 -0.01 0.02 -0.04 0.01 -0.01 0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 0.01 0.01 -0.00 0.01 0.01 -0.01 -0.01 0.01 0.00 -0.07 -0.13 -0.02 -0.19 -0.15 0.00 0.37 0.05 -0.03 0.08 0.05 -0.27 0.12 0.06 -0.23 0.07 -0.01 0.21 0.14 0.01 0.03 0.12 0.01 0.14 -0.11 0.08 -0.06 0.15 -0.01 0.05 0.29 -0.09 0.12 0.10 -0.14 -0.25 0.03 -0.03 -0.00 -0.02 0.05 0.22 0.05 -0.07 0.11 -0.02 -0.01 -0.06 -0.00 0.04 -0.05 -0.03 -0.00 -0.01 0.00 0.03 0.01 0.01 0.00 -0.00 0.01 0.01 -0.00 -0.02 -0.00 0.01 -0.11 -0.02 -0.03 0.11 -0.09 -0.01 -0.08 -0.03 -0.02 -0.09 -0.05 0.07 0.04 -0.07 0.02 0.12 -0.01 0.00 -0.10 0.08 -0.01 -0.08 0.06 0.03 -0.08 0.05 0.06 -0.04 -0.00 -0.13 0.12 -0.01 0.02 -0.01 -0.03 0.03 -0.06 -0.00 0.02 0.00 -0.10 0.00 -0.02 -0.00 -0.05 0.05 0.03 0.00 -0.09 0.01 0.04 0.01 -0.05 0.01 0.05 -0.03 0.04 0.02 0.01 0.02 0.11 0.09 -0.04 0.16 0.14 -0.10 -0.04 0.07 0.04 -0.01 0.06 0.02 -0.06 0.05 0.06 0.09 -0.09 -0.11 -0.01 -0.02 -0.11 -0.10 0.01 -0.29 0.20 -0.05 0.04 0.27 -0.04 -0.17 0.17 -0.07 0.25 0.04 -0.01 0.05 -0.05 -0.03 -0.16 -0.03 0.09 -0.07 -0.00 0.06 0.03 0.03 0.11 0.14 0.07 0.05 -0.03 0.10 0.10 -0.09 -0.11 0.12 0.10 -0.14 -0.08 0.11 -0.09 0.01 -0.05 0.00 0.10 0.11 0.07 0.05 -0.04 0.12 0.09 -0.07 -0.21 0.01 0.14 -0.03 0.02 -0.03 0.02 0.01 -0.02 -0.01 -0.00 0.01 -0.02 -0.00 0.02 0.01 -0.03 0.00 0.03 -0.00 0.00 0.03 0.08 -0.01 0.12 -0.01 -0.03 -0.07 -0.07 0.02 -0.00 -0.04 0.04 -0.02 -0.03 -0.05 0.09 0.03 -0.02 -0.05 -0.03 -0.00 0.06 0.15 -0.01 0.00 0.04 0.14 -0.11 -0.09 -0.07 -0.06 0.02 0.01 0.00 -0.02 0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 0.03 0.02 -0.01 0.06 0.04 -0.02 -0.01 0.02 0.01 0.19 -0.07 -0.08 -0.10 -0.09 0.03 -0.07 -0.14 -0.00 0.09 -0.09 0.17 -0.06 -0.08 -0.01 -0.03 -0.04 -0.22 -0.05 -0.14 -0.00 -0.04 -0.08 0.02 0.06 -0.05 -0.01 0.05 0.10 0.35 -0.11 -0.11 0.09 -0.04 -0.01 0.16 -0.05 -0.24 -0.33 -0.17 -0.20 -0.12 -0.32 -0.15 0.14 -0.09 0.08 0.03 -0.08 -0.03 0.05 -0.04 -0.00 -0.01 -0.00 0.03 0.03 0.01 0.02 -0.01 0.03 0.02 -0.03 -0.05 0.00 0.04 0.04 -0.02 0.02 0.01 -0.00 -0.01 -0.02 -0.01 -0.05 -0.02 -0.02 -0.00 0.06 0.02 0.00 -0.04 0.04 0.00 -0.11 0.03 -0.04 -0.06 0.03 0.11 -0.04 0.03 0.01 -0.11 -0.01 -0.10 0.08 0.02 0.00 0.06 -0.06 0.09 -0.01 -0.02 -0.01 -0.02 0.16 -0.10 -0.03 -0.01 0.02 0.05 -0.03 -0.04 0.10 0.01 0.02 0.04 0.03 0.00 -0.00 0.02 -0.00 0.03 0.04 0.01 -0.03 -0.04 0.02 -0.09 -0.08 0.05 0.02 -0.04 -0.02 0.04 0.08 0.13 0.02 0.13 -0.01 -0.05 -0.06 -0.10 -0.09 -0.02 -0.08 -0.15 -0.01 -0.19 0.15 -0.00 0.12 0.21 0.07 -0.16 0.12 0.00 0.14 0.23 -0.23 0.21 0.06 0.03 0.24 -0.08 -0.15 0.01 -0.10 -0.13 -0.03 0.19 -0.18 -0.23 -0.03 -0.05 0.22 0.10 -0.19 0.04 0.13 -0.03 0.01 0.11 0.04 -0.01 0.06 0.04 0.04 0.06 0.02 -0.05 -0.01 -0.02 0.02 -0.04 -0.03 0.04 0.11 -0.01 -0.07 -0.04 0.03 -0.01 0.00 -0.01 0.03 0.03 0.02 0.06 0.03 0.02 0.00 -0.07 -0.01 -0.01 0.04 -0.04 -0.00 0.06 -0.08 -0.04 0.02 -0.04 0.04 0.10 0.03 -0.03 0.01 0.00 0.06 -0.01 0.04 -0.04 -0.01 -0.11 0.07 0.03 0.04 0.02 -0.11 0.15 -0.10 -0.03 -0.05 -0.07 0.04 -0.01 0.03 -0.10 -0.01 -0.02 -0.05 -0.03 -0.00 -0.00 -0.01 0.00 -0.04 -0.04 -0.01 0.03 0.04 -0.02 0.09 0.08 -0.05 -0.02 0.05 0.02 0.04 0.02 0.07 0.18 0.07 -0.04 -0.10 0.07 0.04 -0.05 0.03 0.05 0.08 0.02 0.20 -0.03 0.06 0.06 -0.08 0.14 0.04 -0.04 0.09 -0.22 0.10 -0.32 0.17 0.08 -0.04 0.08 0.04 -0.13 0.00 -0.10 -0.21 -0.22 0.19 -0.13 -0.10 -0.04 0.01 0.38 0.20 -0.18 0.03 -0.12 0.01 -0.01 -0.11 -0.03 -0.00 -0.06 -0.04 -0.04 -0.07 -0.04 0.05 0.01 0.02 -0.01 0.04 0.03 -0.04 -0.12 0.01 0.08 -0.03 -0.02 -0.01 0.01 -0.01 -0.02 -0.02 -0.00 -0.05 -0.02 -0.02 0.02 0.05 -0.01 -0.00 -0.01 0.04 0.01 0.07 0.21 0.05 0.07 0.06 -0.08 -0.04 0.01 0.03 0.11 -0.01 0.08 -0.02 -0.02 -0.02 -0.06 -0.09 0.01 -0.03 -0.00 -0.01 -0.12 0.01 -0.02 -0.04 -0.06 -0.11 -0.00 0.02 0.07 0.02 0.03 0.00 0.05 0.01 -0.00 0.01 0.01 0.01 0.04 0.04 0.02 -0.01 -0.02 0.01 -0.06 -0.05 0.03 0.01 -0.03 -0.01 0.17 0.05 -0.10 -0.16 -0.07 0.06 0.08 -0.13 0.05 0.27 -0.09 0.23 -0.02 -0.08 -0.04 0.01 -0.06 -0.38 -0.10 -0.21 0.09 -0.10 -0.16 0.11 -0.06 -0.28 0.05 -0.01 -0.09 -0.18 0.07 -0.00 -0.05 -0.05 -0.11 -0.21 0.06 0.01 0.11 -0.02 0.06 0.27 0.17 -0.05 -0.01 0.03 0.04 0.01 0.01 0.02 0.01 0.02 0.03 0.03 0.07 0.06 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.02 0.06 -0.01 -0.04 0.22 -0.00 0.04 -0.05 0.04 -0.00 0.03 -0.04 0.14 0.07 0.05 -0.10 -0.11 0.05 0.03 0.01 -0.12 -0.06 -0.07 0.21 0.05 0.01 0.05 -0.02 -0.06 -0.02 0.05 -0.04 0.00 -0.04 0.01 -0.02 0.04 -0.01 -0.02 0.01 0.05 -0.02 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.02 -0.00 0.00 0.01 0.14 -0.14 0.04 -0.17 0.02 0.05 -0.04 -0.00 -0.08 -0.12 -0.10 -0.06 -0.00 0.02 -0.01 0.11 0.10 -0.05 -0.03 0.06 0.02 0.12 0.03 -0.05 -0.17 -0.03 0.06 0.03 -0.12 -0.05 0.12 -0.08 0.05 -0.19 -0.06 -0.23 0.09 -0.07 -0.19 0.08 -0.17 -0.04 -0.01 -0.16 0.31 0.01 -0.09 0.03 -0.01 -0.02 -0.04 -0.00 0.01 -0.02 -0.01 -0.01 -0.03 0.02 -0.01 0.02 -0.01 -0.00 0.05 0.03 -0.01 -0.00 0.12 -0.21 -0.01 0.21 -0.07 0.00 0.06 -0.04 -0.08 -0.21 -0.25 -0.02 0.02 0.03 -0.01 -0.02 -0.01 -0.01 -0.13 0.02 0.09 0.01 0.01 -0.01 -0.01 0.00 0.01 0.14 -0.04 -0.11 -0.05 -0.01 0.08 0.03 -0.10 -0.05 0.04 -0.01 0.07 -0.01 0.00 0.00 -0.01 -0.00 -0.02 0.00 0.01 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.01 0.01 0.01 0.01 0.00 0.00 0.00 0.01 0.00 0.01 -0.01 0.00 0.00 -0.04 -0.08 -0.03 -0.17 0.27 -0.09 0.02 -0.04 0.06 -0.01 0.06 0.05 -0.00 -0.00 0.02 0.01 0.00 -0.01 -0.00 0.00 0.00 -0.02 0.00 -0.01 -0.00 -0.02 0.01 0.00 0.01 -0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 -0.01 0.02 0.00 -0.03 -0.01 0.01 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.01 -0.01 0.01 -0.06 -0.02 0.01 -0.10 -0.13 -0.01 0.57 0.14 0.21 -0.25 -0.56 -0.01 -0.06 -0.03 0.02 0.03 0.02 -0.04 -0.01 -0.00 0.00 0.04 0.02 -0.06 -0.03 0.08 -0.01 0.02 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.01 0.05 0.02 -0.05 0.09 -0.03 0.22 -0.03 -0.12 0.07 0.01 -0.02 0.03 0.04 0.02 -0.12 -0.05 0.18 0.14 -0.08 -0.12 -0.00 -0.01 -0.07 -0.05 -0.09 -0.07 -0.07 0.06 0.01 -0.05 -0.01 0.02 -0.01 -0.01 0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.34 -0.15 0.11 0.10 0.15 -0.00 -0.11 -0.06 -0.01 0.07 -0.05 0.16 -0.00 -0.05 0.09 0.03 0.03 -0.13 0.03 0.03 -0.11 0.05 0.04 -0.15 -0.01 0.49 0.09 -0.11 -0.04 -0.02 -0.16 -0.13 -0.11 -0.09 -0.04 -0.03 -0.00 0.12 0.14 0.11 0.08 -0.07 0.17 0.08 -0.18 -0.06 0.09 0.02 -0.01 -0.06 0.05 0.02 -0.00 0.02 -0.03 -0.04 0.01 -0.02 -0.01 0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.09 0.02 0.01 0.04 -0.02 -0.02 -0.11 -0.20 0.15 0.06 0.07 -0.09 0.09 -0.10 0.12 -0.00 0.03 -0.16 0.04 -0.05 -0.02 -0.02 0.02 0.01 -0.03 -0.00 -0.03 0.05 -0.01 0.03 0.01 0.01 -0.04 -0.00 0.01 0.01 -0.06 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.02 0.05 0.02 -0.14 0.13 0.23 0.03 -0.04 -0.06 0.05 0.11 -0.08 0.11 0.05 -0.09 -0.07 -0.05 0.07 0.02 -0.01 -0.01 -0.06 0.03 0.03 -0.02 -0.00 -0.03 0.02 0.01 0.03 0.01 0.01 0.03 0.08 0.01 0.08 -0.03 0.03 0.01 -0.03 0.04 0.00 0.01 0.05 -0.14 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 0.01 -0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.06 -0.09 -0.09 -0.01 0.17 -0.08 0.53 0.24 -0.09 0.06 -0.14 -0.27 0.28 0.14 -0.10 0.04 0.05 0.08 0.06 0.01 -0.06 -0.06 -0.01 0.06 0.06 -0.04 -0.02 0.07 0.02 0.10 -0.11 -0.04 -0.14 0.15 0.03 -0.09 0.00 -0.01 0.08 0.05 -0.05 -0.02 -0.09 0.09 0.00 -0.08 -0.02 -0.05 0.08 -0.01 0.05 0.02 0.01 -0.07 0.00 -0.01 0.00 -0.07 -0.03 -0.01 0.01 0.00 0.00 0.01 0.01 0.01 0.01 0.00 -0.00 0.14 0.19 0.05 -0.08 -0.00 -0.00 0.13 0.00 -0.14 -0.17 -0.12 0.13 -0.05 -0.02 0.05 0.02 0.01 -0.04 -0.00 -0.01 0.00 -0.19 0.13 0.04 -0.11 -0.06 -0.04 0.05 0.01 0.04 0.05 0.01 0.05 0.12 0.01 0.10 -0.02 0.03 -0.03 -0.03 0.05 -0.01 0.01 0.06 -0.18 0.06 -0.09 0.06 -0.00 0.01 -0.01 0.00 0.03 0.00 0.02 0.03 0.03 0.02 -0.02 -0.03 -0.00 -0.01 0.01 -0.01 -0.01 0.02 0.24 0.27 0.14 0.00 0.10 0.08 -0.11 -0.14 0.19 -0.27 -0.28 0.17 -0.25 -0.06 0.05 0.02 -0.01 -0.15 0.01 -0.02 0.05 -0.00 -0.03 -0.06 -0.05 0.02 0.02 0.02 0.01 0.11 -0.05 -0.05 0.03 0.01 0.01 -0.05 0.08 0.17 -0.01 -0.05 0.04 0.02 0.11 -0.09 -0.02 0.09 0.05 0.04 -0.08 0.00 -0.05 -0.02 -0.02 0.08 0.00 -0.00 -0.01 0.05 0.02 0.01 -0.01 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.01 -0.02 0.01 -0.02 -0.11 -0.09 -0.04 0.10 0.13 -0.01 -0.13 -0.08 0.02 0.22 0.10 -0.12 -0.17 -0.12 0.07 0.04 -0.07 -0.03 0.19 -0.13 -0.05 0.14 0.09 0.03 -0.04 -0.00 -0.04 -0.06 -0.00 -0.06 -0.11 -0.01 -0.09 0.00 -0.03 0.06 0.02 -0.04 0.03 -0.02 -0.05 0.17 -0.07 0.08 -0.07 0.00 -0.01 0.00 0.00 -0.03 -0.00 -0.02 -0.03 -0.04 -0.02 0.02 0.03 0.00 0.01 -0.00 0.01 0.01 -0.01 -0.05 0.21 0.11 -0.08 -0.19 0.13 -0.17 -0.17 0.18 -0.20 -0.20 0.03 0.09 0.15 -0.14 0.26 0.17 -0.19 0.18 -0.03 -0.07 -0.09 -0.02 -0.04 -0.03 0.01 -0.02 -0.01 -0.03 0.02 -0.03 0.02 -0.11 0.09 -0.00 -0.00 -0.04 -0.07 0.03 -0.07 0.03 0.03 0.22 -0.19 -0.02 0.14 0.11 0.01 -0.11 0.00 -0.07 -0.05 -0.03 0.14 0.00 0.00 -0.01 0.03 0.03 -0.02 -0.02 0.00 -0.00 -0.03 -0.02 -0.04 -0.02 0.00 0.02 0.03 0.14 -0.00 0.02 0.07 0.08 0.04 -0.09 -0.08 0.03 0.03 0.06 -0.13 -0.06 0.08 0.08 0.05 -0.05 -0.02 0.02 0.01 0.33 -0.20 -0.05 0.24 0.21 -0.02 -0.05 -0.02 -0.06 -0.09 -0.01 -0.09 -0.17 -0.02 -0.14 -0.02 -0.04 0.14 -0.00 -0.04 0.09 -0.04 -0.06 0.24 -0.17 0.24 -0.15 0.01 -0.02 0.01 -0.00 -0.07 -0.01 -0.05 -0.08 -0.09 -0.06 0.04 0.07 0.01 0.03 -0.02 0.01 0.03 -0.03 0.02 0.16 0.01 0.00 0.10 0.02 0.13 0.09 -0.01 0.05 0.02 0.03 -0.13 -0.09 0.09 -0.12 -0.09 0.04 -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 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.03 -0.00 0.04 -0.08 0.01 -0.12 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 -0.00 -0.01 0.01 0.56 -0.05 0.82 0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.05 0.02 -0.03 -0.12 -0.04 0.08 -0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.02 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.02 0.00 0.00 -0.02 0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.01 -0.01 0.78 0.31 -0.52 -0.01 0.09 0.27 0.12 -0.08 -0.12 0.02 0.02 -0.04 0.03 0.00 0.07 -0.03 -0.02 0.02 0.01 0.01 -0.02 -0.01 0.03 0.01 0.12 -0.09 0.03 -0.04 0.04 -0.21 -0.00 0.00 -0.00 -0.03 -0.01 0.06 0.01 0.02 0.04 -0.09 -0.01 -0.08 -0.01 0.01 -0.01 -0.03 -0.02 -0.04 -0.01 -0.00 0.01 0.00 0.01 0.08 -0.02 -0.02 -0.07 -0.03 0.03 0.05 -0.06 -0.05 -0.07 0.03 0.02 -0.03 -0.00 -0.00 0.00 -0.02 -0.01 0.01 0.01 0.08 0.14 -0.04 0.10 -0.23 0.03 -0.08 -0.01 0.09 -0.05 0.04 -0.11 -0.04 -0.12 -0.05 0.00 0.10 -0.04 0.02 0.09 -0.03 0.01 0.02 -0.13 0.37 -0.11 0.02 -0.01 0.05 -0.03 -0.09 -0.02 -0.06 -0.09 -0.08 -0.04 0.05 0.08 0.02 0.03 -0.03 0.01 0.04 -0.03 0.17 -0.32 -0.08 -0.06 0.34 -0.22 -0.09 -0.08 -0.02 -0.10 -0.08 -0.03 0.05 0.02 -0.03 0.02 0.01 0.00 0.13 0.05 -0.09 -0.02 0.02 0.02 0.02 -0.01 -0.01 -0.02 -0.01 0.04 0.07 -0.19 -0.18 0.12 -0.14 -0.05 0.14 -0.14 0.07 0.00 -0.00 -0.00 0.02 -0.01 0.01 -0.01 0.01 -0.03 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.02 0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.06 -0.10 -0.03 0.04 0.02 0.07 -0.42 0.58 -0.09 0.08 0.07 0.20 0.01 -0.01 0.03 -0.00 0.01 -0.02 -0.00 0.00 0.00 -0.00 0.01 0.02 -0.01 0.01 -0.03 0.00 -0.01 -0.00 0.01 -0.01 0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.02 -0.01 0.01 0.01 0.00 0.01 -0.01 -0.01 0.08 -0.03 -0.00 0.00 0.01 -0.02 -0.02 -0.01 -0.01 -0.01 0.00 0.02 -0.00 0.03 -0.01 0.01 0.03 0.00 0.01 -0.02 -0.05 -0.06 0.00 -0.20 -0.13 -0.06 0.17 0.13 0.13 0.05 0.02 0.22 -0.14 -0.01 0.03 0.09 0.05 -0.15 0.02 0.00 0.01 0.02 0.02 0.07 -0.01 -0.05 -0.01 -0.01 0.00 0.01 -0.09 0.02 -0.18 -0.12 0.07 -0.02 0.01 0.07 0.08 -0.02 0.05 0.02 -0.01 -0.07 0.05 -0.06 -0.07 -0.06 0.02 0.01 0.02 0.01 0.02 -0.05 0.00 -0.02 0.04 0.10 0.14 -0.03 -0.01 0.02 -0.01 -0.00 0.01 0.00 0.02 -0.01 -0.01 -0.13 -0.19 -0.02 0.06 0.00 0.04 0.11 -0.15 -0.13 0.11 0.09 0.24 0.08 0.03 -0.00 -0.04 -0.02 -0.00 0.00 -0.01 -0.00 -0.10 0.05 0.13 -0.13 -0.14 -0.04 0.02 -0.04 0.01 0.11 -0.03 0.07 -0.05 -0.03 -0.04 0.04 0.01 -0.08 0.04 0.01 -0.09 0.01 -0.01 -0.00 -0.12 0.35 -0.10 0.06 0.02 0.09 0.02 -0.05 0.03 -0.04 -0.07 -0.05 -0.04 0.03 0.03 0.05 0.01 -0.07 0.01 0.03 -0.04 -0.11 -0.32 -0.10 -0.10 -0.04 -0.14 0.05 0.07 0.25 0.15 0.14 0.21 -0.08 0.03 -0.01 0.14 0.07 -0.14 0.05 0.00 -0.01 -0.08 -0.07 -0.01 -0.07 -0.07 -0.01 0.01 -0.00 -0.00 0.03 -0.01 0.07 0.06 -0.03 0.01 -0.00 -0.03 -0.03 -0.04 0.03 0.03 -0.03 -0.11 0.06 -0.08 -0.08 0.07 0.04 0.00 0.04 0.03 0.04 -0.14 -0.00 -0.07 0.04 0.22 0.30 -0.05 -0.02 0.02 -0.01 0.01 0.03 0.02 0.03 -0.02 -0.03 0.07 0.08 0.02 -0.02 0.00 -0.01 -0.04 0.06 0.05 -0.05 -0.04 -0.10 -0.04 -0.01 0.00 0.02 0.01 -0.00 -0.00 0.00 0.00 -0.06 -0.04 0.11 -0.19 -0.20 0.11 0.04 -0.01 0.03 0.08 -0.02 0.07 0.01 -0.02 0.03 0.09 0.01 -0.18 0.10 0.02 -0.23 0.03 -0.01 -0.03 -0.20 0.51 -0.18 0.11 0.04 0.15 0.05 -0.07 0.07 -0.05 -0.09 -0.06 -0.03 0.04 0.03 0.06 0.01 -0.10 0.02 0.04 -0.07 0.11 0.09 0.05 0.03 0.06 0.03 -0.01 -0.03 -0.11 -0.07 -0.06 -0.09 0.02 -0.02 0.01 -0.06 -0.03 0.06 -0.02 -0.00 0.00 -0.04 0.00 0.06 -0.03 -0.03 -0.08 0.01 0.01 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.01 0.00 0.00 0.01 0.05 -0.12 -0.03 0.12 0.10 -0.06 -0.10 -0.02 0.14 -0.04 -0.04 -0.05 -0.00 -0.03 0.04 0.02 0.13 0.05 0.09 0.12 -0.07 0.03 -0.02 0.01 -0.04 -0.06 -0.06 -0.03 0.02 0.03 0.01 -0.03 0.04 0.01 0.00 -0.01 0.00 -0.01 -0.01 -0.01 -0.00 0.02 0.02 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.35 -0.05 -0.18 -0.21 -0.08 0.16 -0.09 0.09 -0.03 -0.24 0.07 -0.14 0.14 0.06 0.12 -0.03 -0.01 0.10 -0.02 -0.01 0.06 0.01 0.02 -0.04 0.23 -0.41 0.27 -0.14 -0.04 -0.14 -0.14 -0.00 -0.14 0.01 0.08 0.06 0.03 -0.02 0.00 -0.05 0.00 0.11 0.00 -0.03 0.04 0.05 -0.15 -0.03 -0.01 0.11 -0.08 -0.02 -0.01 0.03 -0.02 -0.01 0.03 -0.00 0.01 -0.01 0.02 0.01 -0.02 0.01 0.00 -0.00 0.01 -0.00 -0.04 0.00 0.01 0.03 -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 -0.03 0.01 0.01 0.02 0.05 -0.04 0.04 0.02 -0.01 -0.00 -0.00 0.01 -0.01 -0.05 0.20 -0.04 -0.10 -0.02 -0.01 0.03 0.10 0.04 -0.03 -0.08 -0.07 -0.15 -0.12 0.05 0.23 0.03 -0.03 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.21 0.11 0.13 -0.08 -0.01 0.03 -0.01 -0.02 -0.01 0.00 -0.01 0.01 -0.01 -0.01 -0.01 -0.02 0.01 0.06 0.04 0.06 -0.10 0.05 0.05 -0.09 0.16 0.37 -0.21 -0.03 -0.05 -0.03 -0.16 -0.19 -0.18 -0.13 -0.15 -0.16 -0.19 0.04 0.16 -0.10 0.00 0.06 -0.32 0.09 0.37 -0.00 0.04 0.03 0.03 -0.08 0.04 0.00 0.00 -0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.05 0.01 0.00 0.03 -0.08 0.01 0.01 -0.02 0.00 0.00 -0.02 -0.02 0.00 0.02 -0.00 0.00 0.01 -0.04 -0.10 0.01 0.03 -0.01 -0.06 -0.03 0.21 0.23 0.06 -0.04 0.05 0.01 0.00 -0.10 -0.01 -0.14 -0.01 -0.10 -0.09 -0.03 -0.04 0.02 -0.00 0.02 0.05 0.04 0.02 -0.02 -0.04 0.05 -0.07 0.06 0.01 0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.03 0.03 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.17 -0.06 -0.10 -0.15 0.23 0.24 0.11 0.10 0.09 -0.15 0.07 -0.10 0.22 0.07 0.15 0.03 -0.00 -0.01 0.07 0.03 -0.18 0.05 0.02 -0.06 -0.27 0.37 -0.25 0.13 0.03 0.12 0.12 -0.01 0.12 -0.04 -0.09 -0.08 -0.01 0.01 -0.00 0.04 -0.00 -0.09 0.05 0.02 -0.09 0.04 -0.17 -0.01 0.06 0.05 -0.04 -0.04 -0.03 0.05 -0.03 -0.02 0.05 0.01 0.01 -0.01 0.03 0.01 -0.02 0.01 0.01 -0.00 0.01 -0.01 -0.06 0.01 0.00 0.07 -0.01 -0.00 0.01 -0.00 -0.00 0.01 0.00 0.01 -0.02 0.00 0.00 -0.00 0.07 -0.05 -0.04 0.06 0.13 -0.10 -0.06 -0.00 -0.07 -0.04 -0.01 -0.05 -0.01 -0.03 0.09 0.01 -0.05 0.15 -0.02 0.00 0.06 -0.02 0.02 -0.00 -0.02 0.02 -0.02 0.03 -0.02 -0.05 0.03 -0.02 -0.03 -0.01 -0.00 0.01 0.01 0.00 0.01 0.01 0.00 -0.02 -0.02 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.36 0.04 -0.28 -0.34 0.02 -0.11 0.03 -0.06 -0.12 0.03 -0.06 0.04 0.02 0.03 -0.07 -0.01 0.10 -0.08 -0.03 0.19 -0.02 0.01 -0.00 -0.24 0.51 -0.10 0.08 0.03 0.14 -0.01 -0.10 0.01 -0.08 -0.11 -0.07 -0.01 0.04 0.05 0.06 0.02 -0.06 0.08 0.02 -0.12 -0.01 0.12 0.05 0.03 -0.16 0.08 0.02 0.01 -0.03 0.02 0.02 -0.03 -0.01 -0.01 0.01 -0.02 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.03 0.04 0.02 -0.01 -0.01 -0.04 -0.04 0.09 -0.04 -0.03 0.04 -0.00 0.06 -0.08 0.08 0.06 0.01 -0.04 -0.02 0.01 0.06 -0.06 -0.00 -0.06 0.07 -0.01 0.03 -0.00 0.04 -0.00 -0.00 -0.05 -0.02 0.04 -0.01 -0.04 0.03 0.01 -0.00 -0.01 0.01 0.00 -0.01 0.01 0.00 0.00 -0.01 -0.00 -0.14 -0.05 -0.07 -0.04 0.01 0.14 0.09 -0.01 0.08 0.04 -0.16 -0.18 0.12 0.21 0.06 -0.07 -0.08 0.03 -0.14 -0.03 -0.01 -0.02 0.03 -0.08 0.08 -0.01 0.11 -0.01 0.06 0.02 -0.00 -0.01 0.01 0.00 -0.03 0.00 0.00 0.07 0.04 0.05 -0.10 0.03 0.03 -0.05 0.03 -0.16 0.06 -0.04 -0.01 -0.05 -0.00 0.03 -0.01 0.03 0.04 0.03 0.03 -0.01 -0.02 -0.01 -0.00 0.03 0.03 -0.02 -0.02 0.04 0.09 0.12 -0.16 -0.32 0.03 0.15 0.11 -0.26 0.17 0.16 -0.22 -0.37 0.17 0.20 -0.06 0.15 -0.07 -0.00 -0.18 0.02 -0.06 0.05 -0.13 0.04 -0.02 0.09 0.01 0.01 -0.02 0.01 0.01 0.01 -0.01 0.02 0.00 -0.03 -0.02 -0.01 -0.06 -0.03 0.02 0.13 -0.14 -0.01 -0.12 0.12 -0.12 0.04 0.01 0.06 0.00 -0.02 -0.07 -0.04 0.11 0.00 -0.09 0.11 0.09 -0.01 -0.02 0.02 -0.00 -0.03 0.01 0.01 0.00 -0.03 0.18 -0.13 0.04 0.02 0.01 0.01 -0.03 -0.03 0.01 -0.02 -0.01 0.04 0.05 -0.06 -0.08 -0.02 0.03 0.03 -0.01 0.06 0.01 -0.22 0.08 0.17 -0.15 -0.01 -0.08 0.18 -0.07 0.09 0.13 -0.04 0.02 -0.09 -0.03 -0.12 -0.04 0.01 0.19 0.04 0.12 -0.13 0.08 0.09 -0.15 0.07 -0.38 0.17 -0.10 -0.03 -0.11 -0.02 0.07 -0.02 0.06 0.09 0.07 0.06 -0.03 -0.05 -0.02 0.00 0.06 0.06 -0.04 -0.04 0.09 0.05 0.12 0.16 -0.25 0.13 -0.04 -0.03 0.07 -0.04 -0.03 0.06 0.15 -0.10 -0.08 -0.00 -0.08 0.05 -0.00 0.08 -0.01 -0.03 0.01 -0.09 0.00 -0.00 0.04 0.02 0.02 -0.07 0.01 0.01 -0.03 -0.00 -0.03 0.10 0.01 -0.02 -0.03 0.01 0.01 -0.03 -0.02 0.02 0.01 -0.03 -0.04 -0.03 0.01 0.01 -0.00 0.00 -0.02 0.04 0.00 -0.02 -0.01 -0.03 0.06 0.03 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.03 -0.02 0.08 0.04 0.05 -0.01 -0.04 -0.02 -0.02 -0.05 -0.06 0.07 -0.10 0.26 -0.01 0.08 -0.09 -0.01 0.03 -0.16 -0.04 0.14 -0.08 -0.07 0.24 0.17 -0.09 -0.03 -0.02 -0.02 0.06 -0.01 0.05 -0.01 -0.02 0.01 -0.04 0.00 0.05 -0.04 0.01 0.09 0.00 0.02 -0.04 -0.01 0.03 -0.03 0.02 0.00 0.01 0.02 0.00 0.02 -0.01 -0.02 -0.02 -0.01 0.01 0.01 0.01 -0.00 -0.02 -0.01 0.01 0.00 -0.06 -0.22 -0.09 0.22 0.18 -0.01 -0.16 -0.10 0.09 -0.13 -0.08 0.18 0.24 0.32 -0.01 -0.16 0.39 0.23 0.01 -0.18 -0.05 -0.01 0.01 -0.02 0.01 -0.02 0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.01 -0.00 0.01 0.01 0.00 -0.00 -0.06 -0.04 0.06 0.02 -0.08 -0.06 -0.02 0.04 0.00 0.01 -0.01 -0.03 0.07 0.01 -0.05 -0.03 -0.03 0.09 0.01 -0.00 0.00 -0.01 0.00 0.02 0.01 -0.01 -0.00 0.01 0.04 -0.05 0.00 -0.01 -0.01 0.00 0.01 0.01 -0.00 0.01 0.01 -0.03 0.03 -0.07 0.02 -0.03 0.02 -0.00 -0.01 0.04 0.01 0.44 -0.23 -0.22 0.48 0.50 -0.19 -0.00 -0.01 -0.00 0.07 -0.01 0.07 0.06 -0.01 0.06 -0.05 -0.00 0.10 -0.04 0.01 0.10 0.00 0.02 -0.02 -0.03 0.10 -0.09 0.05 0.01 0.04 0.03 -0.01 0.03 -0.02 -0.03 -0.03 -0.03 0.01 0.03 0.01 0.00 -0.03 -0.01 0.02 0.00 0.05 -0.00 0.04 0.02 -0.09 0.03 0.03 0.02 -0.03 0.02 0.01 -0.06 -0.11 -0.07 0.02 0.07 -0.11 -0.10 -0.00 0.05 0.02 -0.02 0.00 -0.07 -0.00 0.01 0.03 -0.00 0.00 -0.05 0.00 0.00 -0.04 0.00 -0.03 0.12 0.01 0.03 0.03 0.01 0.01 0.01 0.00 -0.01 0.00 0.02 -0.00 -0.01 -0.02 0.01 -0.01 0.01 0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.00 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.01 0.08 0.04 0.04 -0.00 -0.00 0.01 -0.03 -0.05 -0.04 -0.10 0.11 -0.02 0.16 -0.06 0.01 -0.07 0.00 0.01 0.01 -0.12 0.05 0.06 -0.05 -0.14 0.03 -0.02 -0.01 -0.02 0.01 -0.01 0.00 -0.04 -0.01 -0.03 -0.01 0.01 -0.02 -0.02 -0.00 0.04 -0.00 0.00 -0.03 0.00 -0.02 0.02 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.11 -0.26 -0.12 0.18 0.24 -0.04 -0.05 -0.05 -0.06 -0.06 -0.05 -0.09 -0.54 0.12 0.12 0.31 -0.13 -0.45 0.03 0.00 0.06 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 0.00 -0.01 -0.01 -0.01 -0.02 0.01 0.01 -0.01 0.02 -0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.03 -0.07 0.11 0.03 -0.01 -0.11 -0.03 0.03 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.03 -0.02 -0.03 -0.01 -0.03 -0.00 0.01 0.01 0.01 0.00 0.01 0.01 0.05 0.01 0.04 0.03 -0.02 0.03 0.05 0.01 -0.09 0.00 -0.01 0.09 0.04 -0.00 0.02 0.03 0.20 0.35 -0.31 -0.20 -0.24 0.03 0.09 0.35 -0.04 0.11 0.37 -0.04 0.18 0.31 0.28 -0.02 -0.28 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -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 -0.01 0.00 0.00 -0.00 0.06 -0.00 0.06 -0.00 -0.00 0.02 -0.01 -0.00 0.02 -0.11 -0.00 0.00 0.12 0.01 -0.02 -0.00 -0.01 -0.02 -0.00 0.01 -0.00 -0.01 -0.01 -0.01 0.02 0.02 0.01 -0.02 -0.01 0.00 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 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.04 0.00 0.04 0.10 -0.01 0.27 -0.01 0.10 -0.10 -0.01 -0.26 -0.20 0.04 -0.31 -0.13 0.10 -0.33 -0.26 -0.08 0.45 -0.06 0.03 -0.45 -0.02 -0.02 -0.03 0.03 0.03 0.07 -0.02 -0.03 -0.01 -0.00 -0.00 0.03 -0.03 0.03 0.09 0.01 0.04 0.03 0.06 0.01 -0.07 0.02 0.00 0.02 -0.01 -0.02 0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 0.02 -0.01 -0.00 -0.01 -0.00 0.02 -0.00 0.00 -0.00 0.02 -0.02 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 -0.01 -0.00 -0.02 -0.00 0.01 0.00 0.01 -0.01 -0.01 -0.00 -0.01 -0.00 -0.01 0.03 0.00 -0.00 -0.01 0.01 -0.03 0.03 0.00 0.01 0.01 0.01 0.00 0.00 0.03 -0.08 0.02 -0.03 0.09 -0.03 -0.02 0.03 -0.01 0.03 -0.04 -0.00 -0.00 -0.01 -0.00 -0.04 0.04 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.07 -0.01 -0.04 0.04 0.05 -0.03 0.14 0.01 0.07 -0.02 0.00 -0.08 -0.01 0.03 -0.06 -0.01 0.00 -0.00 0.00 0.01 -0.01 0.01 0.01 -0.03 -0.13 0.34 -0.13 -0.25 -0.06 -0.25 -0.09 0.13 -0.10 0.19 0.25 0.23 0.28 -0.16 -0.29 -0.21 -0.04 0.36 0.06 -0.18 0.09 -0.02 0.01 -0.02 0.02 0.03 0.00 0.13 0.04 0.11 -0.06 -0.13 -0.09 -0.00 0.02 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 -0.02 0.02 0.01 0.00 0.01 0.00 -0.03 0.02 0.00 0.03 -0.05 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.03 -0.01 0.01 -0.04 0.01 0.01 0.01 0.01 0.11 -0.15 -0.01 -0.01 -0.02 -0.00 -0.12 0.16 -0.01 -0.01 0.01 0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.02 0.01 0.01 -0.02 -0.02 0.01 -0.04 -0.00 -0.02 0.01 -0.00 0.02 0.00 -0.01 0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.05 -0.14 0.05 0.10 0.02 0.10 0.03 -0.05 0.04 -0.08 -0.10 -0.09 -0.12 0.07 0.12 0.09 0.02 -0.15 -0.03 0.08 -0.04 0.02 0.01 0.01 0.01 0.01 0.00 0.47 0.14 0.37 -0.19 -0.47 -0.35 -0.00 0.03 0.01 0.01 0.05 -0.01 -0.00 -0.01 0.00 0.09 -0.08 0.01 0.01 -0.01 0.03 0.00 -0.00 -0.01 0.01 0.00 -0.01 0.01 -0.01 0.02 -0.01 -0.00 -0.00 -0.10 -0.02 0.01 0.00 0.01 -0.07 -0.03 0.02 -0.07 0.01 -0.06 0.12 -0.02 0.02 -0.04 0.00 0.04 0.07 -0.01 0.02 0.03 0.02 0.02 0.02 -0.03 0.01 -0.04 0.04 -0.02 0.02 -0.08 0.08 -0.05 0.01 0.02 0.00 -0.03 -0.02 0.00 -0.00 -0.01 0.00 0.02 0.02 0.01 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.25 -0.04 -0.13 0.05 0.08 -0.10 0.53 0.09 0.30 -0.19 0.04 -0.34 0.08 0.13 -0.16 0.05 -0.01 -0.06 0.06 -0.00 -0.14 -0.01 -0.03 0.07 0.05 -0.09 0.12 0.08 0.02 0.10 -0.04 -0.10 -0.03 -0.10 -0.12 -0.09 -0.10 0.04 0.03 0.09 -0.03 -0.21 -0.10 0.08 0.05 -0.06 0.05 -0.06 0.04 0.04 0.02 -0.04 -0.02 0.00 -0.01 0.00 0.03 -0.04 0.06 0.01 0.04 0.01 -0.05 0.01 -0.01 0.00 0.09 -0.08 0.03 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.02 0.00 0.07 0.04 -0.00 -0.08 0.04 0.05 -0.00 0.08 -0.00 0.00 -0.11 -0.03 -0.00 -0.02 -0.05 0.02 0.00 0.01 -0.03 -0.01 -0.00 -0.00 0.02 0.03 -0.02 -0.02 -0.02 -0.08 0.08 -0.05 0.00 0.01 0.00 -0.03 -0.02 0.01 0.00 -0.00 0.01 0.02 0.02 0.01 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.08 0.09 0.05 -0.01 0.12 0.03 -0.06 -0.17 -0.07 0.32 -0.09 0.21 -0.27 -0.11 -0.15 -0.16 0.01 0.48 0.00 0.23 -0.04 0.17 0.21 -0.33 -0.04 -0.08 -0.05 0.03 -0.01 -0.01 0.09 0.05 0.08 -0.00 -0.02 -0.05 -0.01 0.03 0.10 0.01 0.05 0.05 0.11 -0.01 -0.13 -0.05 0.06 -0.05 0.01 0.05 0.01 -0.01 -0.01 0.01 -0.00 0.01 0.02 -0.03 0.05 0.00 0.03 0.01 -0.04 0.01 -0.01 0.00 0.04 -0.03 -0.06 0.00 0.00 0.02 -0.00 -0.00 -0.00 -0.03 -0.02 -0.02 0.06 0.03 0.11 0.08 0.05 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.02 -0.01 0.00 0.01 0.01 -0.03 0.03 0.03 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.14 -0.05 0.08 -0.02 -0.02 -0.07 0.19 0.15 -0.05 -0.03 -0.01 -0.02 -0.15 -0.14 -0.07 0.03 0.02 0.06 -0.02 0.05 0.01 0.01 -0.01 -0.01 0.00 -0.08 0.02 0.04 -0.01 0.02 0.02 -0.01 -0.00 -0.02 -0.00 -0.03 -0.03 0.00 0.08 0.00 0.04 -0.02 0.03 0.04 -0.05 0.00 -0.02 0.01 0.01 -0.00 0.00 0.01 -0.01 0.01 -0.02 -0.02 -0.02 -0.01 0.00 0.01 0.01 0.00 -0.02 -0.00 0.01 -0.01 -0.19 -0.42 -0.19 0.17 0.30 -0.08 0.00 -0.00 -0.04 -0.05 -0.07 -0.05 0.21 -0.44 -0.02 -0.26 -0.05 0.29 -0.05 0.06 -0.02 0.11 -0.09 0.01 0.02 -0.02 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 0.01 0.01 -0.01 -0.00 -0.01 0.03 0.01 0.01 0.04 -0.06 0.09 -0.07 0.07 -0.03 0.02 -0.08 -0.09 0.04 0.06 0.02 0.01 0.00 -0.08 -0.11 0.10 0.05 -0.02 -0.01 -0.03 -0.01 0.00 0.06 -0.04 -0.01 -0.01 -0.06 0.04 -0.06 0.01 0.01 0.00 -0.02 -0.02 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 0.14 -0.17 0.05 -0.01 -0.32 0.16 -0.14 -0.29 0.09 0.01 0.35 0.05 0.36 0.05 0.02 -0.32 -0.07 -0.13 0.17 -0.09 -0.09 0.06 0.06 -0.04 -0.05 -0.02 -0.06 -0.13 0.16 0.14 0.14 0.05 0.03 -0.07 -0.00 0.03 0.10 -0.02 0.06 0.11 0.11 -0.02 -0.12 0.00 0.03 -0.03 0.09 -0.03 0.05 -0.02 -0.01 0.01 -0.02 -0.01 0.02 -0.01 0.03 -0.00 0.01 0.00 -0.02 0.00 -0.00 0.00 -0.05 0.03 -0.01 -0.01 0.01 0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.05 0.07 0.03 -0.00 -0.05 -0.03 -0.03 -0.03 0.04 -0.04 0.02 -0.02 0.07 0.01 -0.06 0.08 -0.06 -0.02 -0.01 -0.00 -0.03 -0.06 0.00 0.09 -0.08 -0.04 -0.03 0.02 -0.01 0.02 -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 0.03 0.18 0.09 0.02 0.08 -0.07 0.20 0.03 0.12 -0.11 0.01 -0.18 0.01 0.06 -0.10 0.08 -0.04 0.02 0.10 -0.00 -0.19 0.00 -0.03 0.18 0.18 0.08 -0.02 0.00 -0.14 -0.24 0.32 0.24 0.29 0.03 -0.01 -0.22 -0.01 0.07 0.26 -0.01 0.14 0.20 0.24 -0.03 -0.28 -0.04 -0.01 -0.00 -0.03 0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.02 0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 0.01 -0.02 -0.00 0.08 -0.01 -0.05 -0.11 -0.02 0.03 0.01 -0.01 -0.01 -0.00 0.05 0.01 -0.03 -0.00 0.01 0.07 -0.05 -0.01 -0.01 -0.00 0.02 0.02 -0.00 -0.03 0.02 0.01 -0.00 -0.02 0.02 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.51 0.30 0.21 0.31 0.53 -0.13 -0.06 0.01 -0.03 -0.04 0.01 -0.01 0.05 -0.00 0.05 0.08 -0.01 -0.18 0.01 -0.10 -0.00 -0.07 -0.09 0.15 -0.12 -0.07 -0.02 -0.00 0.05 0.08 -0.10 -0.07 -0.09 -0.01 0.00 0.07 0.01 -0.01 -0.05 0.01 -0.02 -0.03 -0.04 0.01 0.04 -0.07 0.00 -0.03 -0.01 0.03 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 0.02 -0.00 0.00 -0.00 -0.05 0.16 -0.06 0.04 -0.11 0.04 0.04 -0.10 0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.02 0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 -0.03 0.02 -0.01 -0.34 -0.06 -0.30 -0.11 0.23 -0.13 0.26 0.32 0.24 -0.30 0.14 0.23 0.23 0.06 -0.35 -0.10 0.23 -0.08 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 0.03 0.07 -0.00 -0.00 -0.03 -0.03 -0.02 -0.05 0.00 0.00 0.01 0.14 0.15 0.07 0.01 0.01 -0.06 0.01 -0.02 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.01 -0.01 0.01 0.00 -0.01 0.01 -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 -0.08 -0.16 -0.17 0.24 0.18 0.20 0.01 0.00 0.02 -0.18 -0.13 -0.06 -0.02 -0.02 -0.01 0.00 0.00 0.01 -0.00 0.01 0.00 0.02 -0.00 -0.01 -0.01 0.03 0.00 0.01 -0.03 0.00 0.04 -0.01 0.01 -0.05 -0.01 -0.04 0.02 -0.01 -0.01 0.01 -0.01 -0.03 -0.01 -0.01 0.03 0.00 0.01 -0.00 -0.01 0.00 -0.01 -0.01 0.01 -0.01 0.01 0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.18 0.23 0.05 -0.27 -0.45 -0.00 -0.25 -0.24 0.13 -0.32 -0.27 0.05 0.02 -0.08 -0.00 -0.03 -0.01 0.02 -0.00 0.01 -0.00 0.02 -0.01 0.00 0.00 -0.01 -0.08 -0.00 -0.00 0.01 0.00 0.00 0.01 0.02 0.02 -0.02 -0.01 -0.00 -0.01 -0.00 0.05 0.01 0.01 -0.01 -0.09 0.06 -0.08 0.09 -0.01 -0.02 0.01 -0.01 -0.02 -0.01 0.06 0.02 0.08 -0.14 0.10 0.02 0.03 0.02 0.02 -0.04 -0.01 0.00 -0.02 -0.02 -0.03 0.00 -0.02 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.55 -0.01 -0.02 0.64 -0.22 0.10 0.05 0.04 0.04 -0.07 0.02 -0.07 0.03 0.03 0.00 -0.02 -0.01 0.09 0.02 0.06 -0.05 0.04 0.04 -0.02 0.04 0.05 0.06 0.00 -0.05 -0.08 0.05 0.03 0.05 -0.03 -0.04 -0.10 0.02 0.02 0.10 0.00 0.07 0.10 0.10 -0.02 -0.12 0.13 -0.05 0.04 0.03 -0.03 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.03 -0.00 0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.03 0.02 0.00 -0.00 0.00 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.18 0.05 0.02 0.01 0.02 0.01 -0.05 -0.02 0.01 -0.12 -0.02 0.01 -0.11 -0.03 -0.03 -0.01 -0.03 0.04 -0.03 -0.02 -0.02 -0.00 0.00 0.02 0.00 -0.01 0.02 0.01 0.00 0.01 -0.01 0.01 0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.12 0.09 -0.04 0.09 -0.05 -0.03 0.25 0.04 -0.40 0.11 -0.17 0.35 0.13 0.19 -0.18 0.02 0.38 -0.02 0.26 -0.01 0.17 0.20 -0.29 -0.10 -0.08 -0.06 -0.00 0.03 0.05 -0.05 -0.04 -0.05 0.00 0.01 0.06 -0.01 -0.01 -0.05 0.00 -0.03 -0.05 -0.04 0.01 0.05 -0.01 0.01 0.01 -0.04 -0.00 -0.02 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.03 -0.00 -0.00 0.01 0.00 0.00 0.00 0.01 0.01 -0.01 -0.00 -0.00 -0.01 0.12 -0.04 0.03 0.09 0.11 0.13 0.05 -0.06 0.01 -0.08 -0.01 0.02 -0.08 0.03 -0.03 -0.07 -0.05 -0.12 -0.09 0.08 0.02 -0.05 -0.01 0.01 0.05 0.01 -0.02 0.03 0.02 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.13 0.23 0.21 0.11 -0.22 0.05 0.15 -0.03 0.08 -0.06 -0.02 -0.18 -0.12 0.04 -0.19 0.18 -0.08 0.09 0.15 -0.01 -0.31 0.04 -0.01 0.29 -0.34 -0.21 -0.22 -0.00 0.08 0.11 -0.11 -0.07 -0.11 0.01 0.02 0.13 -0.01 -0.03 -0.12 0.00 -0.07 -0.10 -0.08 0.01 0.09 0.09 -0.05 0.02 0.04 -0.00 0.01 0.01 0.01 -0.01 0.00 0.00 0.01 0.00 0.04 -0.00 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 -0.06 -0.04 -0.04 0.00 0.03 0.02 0.19 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.03 -0.01 0.01 0.03 0.04 -0.05 -0.04 -0.00 0.01 0.01 -0.15 0.01 0.04 -0.07 0.03 -0.01 0.06 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.02 -0.03 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 -0.01 0.00 0.00 0.01 -0.02 -0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.07 0.01 0.02 -0.03 0.03 -0.11 -0.13 0.11 0.04 0.03 -0.18 -0.05 -0.70 0.05 0.11 0.56 0.02 -0.01 -0.00 -0.03 -0.01 0.00 0.00 0.01 -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.05 -0.02 0.11 -0.04 0.02 0.02 0.01 0.00 -0.04 -0.02 0.00 -0.04 -0.02 0.01 -0.04 0.06 -0.00 0.01 0.00 -0.01 -0.01 0.06 0.10 0.20 -0.03 -0.03 -0.07 -0.02 -0.04 -0.08 0.01 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.08 -0.42 -0.24 -0.18 0.21 -0.08 -0.13 -0.00 -0.07 -0.05 0.02 0.01 -0.03 -0.03 0.01 0.07 -0.02 -0.00 0.06 0.02 -0.14 0.03 0.03 0.02 -0.41 -0.21 -0.18 -0.07 -0.03 -0.09 -0.17 -0.11 -0.15 -0.07 -0.09 -0.08 0.09 0.01 0.10 0.06 0.12 0.05 0.24 -0.05 -0.28 -0.04 0.03 -0.00 0.01 -0.02 0.02 0.01 0.01 -0.02 -0.01 -0.01 0.03 -0.00 0.01 -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 -0.01 -0.00 0.02 0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.02 -0.03 -0.01 0.05 -0.02 0.05 0.02 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.01 -0.03 0.03 -0.05 -0.01 -0.00 0.00 -0.00 0.04 -0.01 -0.02 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.02 -0.02 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.08 0.12 -0.00 0.04 -0.09 0.06 0.27 0.27 -0.51 -0.41 -0.23 0.55 -0.02 -0.09 0.01 -0.01 0.00 0.02 0.00 -0.00 -0.00 -0.03 0.00 0.08 0.00 -0.01 -0.04 0.02 0.02 -0.05 0.00 0.00 -0.04 -0.08 -0.07 0.20 0.04 -0.01 -0.03 0.01 0.01 0.00 0.00 0.00 0.00 0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.02 0.02 -0.01 -0.01 -0.01 -0.02 0.00 0.00 0.01 0.00 0.00 0.01 0.10 0.02 -0.13 -0.06 -0.01 -0.07 0.05 0.04 -0.03 0.01 0.03 0.05 -0.02 -0.02 0.02 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.02 -0.01 -0.01 0.07 -0.06 0.02 0.01 0.00 0.00 -0.01 0.00 -0.02 -0.00 0.01 -0.01 0.01 -0.01 0.02 0.01 0.01 -0.02 0.01 0.01 0.01 0.02 0.01 0.01 0.01 0.00 0.01 0.01 0.01 0.01 0.01 0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.01 -0.02 0.01 0.03 -0.42 0.45 -0.05 0.24 -0.37 0.25 -0.15 -0.11 0.25 0.22 0.10 -0.24 -0.01 0.06 0.01 -0.03 -0.08 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.01 0.01 -0.00 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 0.14 -0.00 0.16 0.01 0.01 -0.06 -0.00 -0.00 -0.03 -0.04 0.00 -0.04 -0.05 -0.00 -0.06 -0.02 -0.01 0.07 -0.02 0.01 0.00 -0.03 -0.06 -0.13 0.01 0.02 0.04 0.02 0.02 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 -0.21 -0.45 -0.31 -0.19 0.34 -0.10 -0.14 -0.00 -0.08 -0.10 0.03 -0.07 -0.09 -0.02 -0.07 0.11 -0.06 0.07 0.11 0.06 -0.26 0.09 0.07 0.08 0.25 0.18 0.17 0.05 0.01 0.06 0.11 0.07 0.10 0.03 0.05 0.04 -0.07 0.01 -0.04 -0.03 -0.06 -0.01 -0.15 0.04 0.16 0.02 -0.02 0.00 0.02 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.02 -0.02 0.03 0.01 0.01 -0.00 -0.05 -0.04 -0.02 0.15 0.12 -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 0.02 0.03 0.02 -0.01 0.01 0.01 -0.08 -0.07 -0.00 0.09 0.07 -0.04 -0.08 -0.08 0.06 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.13 -0.01 0.04 -0.01 0.05 -0.01 -0.44 -0.30 0.47 -0.34 -0.29 0.40 -0.00 -0.05 0.05 -0.02 -0.02 -0.04 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 0.01 0.01 0.03 0.00 0.00 0.00 0.02 0.05 -0.15 -0.02 -0.02 0.06 -0.01 -0.00 -0.02 0.01 -0.01 -0.00 0.01 0.01 -0.02 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.03 -0.02 0.00 -0.06 -0.05 0.11 -0.02 -0.05 0.05 0.02 -0.00 0.02 -0.00 0.00 -0.00 0.13 0.14 0.05 0.07 -0.00 -0.01 -0.04 -0.01 -0.03 -0.02 0.02 0.04 -0.03 -0.04 0.03 0.00 -0.00 -0.06 0.03 0.01 -0.04 0.00 0.02 -0.06 0.07 0.03 0.02 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.01 0.00 0.00 -0.02 0.02 -0.00 -0.01 0.05 0.00 0.02 0.01 0.00 0.00 0.22 0.15 -0.17 0.15 0.16 -0.08 -0.12 -0.40 0.10 0.25 0.65 -0.20 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.01 0.04 -0.06 -0.05 0.20 -0.02 0.00 -0.07 0.02 -0.03 -0.02 0.02 0.02 -0.06 0.01 0.01 -0.03 -0.01 0.01 -0.02 -0.02 -0.00 0.00 -0.02 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 0.01 0.01 0.00 0.02 0.01 -0.03 0.01 0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.46 0.47 0.15 0.29 -0.06 -0.03 -0.16 -0.02 -0.11 -0.07 0.07 0.16 -0.09 -0.14 0.11 0.01 -0.00 -0.21 0.10 0.04 -0.16 0.00 0.07 -0.20 0.22 0.10 0.08 -0.03 0.01 0.01 -0.02 -0.01 -0.02 -0.01 -0.01 0.02 0.03 -0.03 -0.04 0.01 -0.01 -0.08 0.07 -0.02 -0.04 -0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.07 -0.05 0.05 -0.05 -0.05 0.02 0.04 0.12 -0.03 -0.07 -0.19 0.06 0.00 -0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 0.00 0.05 0.03 -0.01 -0.01 -0.01 0.01 0.09 0.03 -0.07 -0.04 -0.06 -0.03 0.02 -0.02 0.04 -0.03 -0.00 0.02 -0.03 -0.02 0.01 -0.02 -0.02 -0.05 -0.02 0.02 0.01 -0.04 0.03 0.11 0.02 -0.00 -0.02 -0.01 -0.00 -0.00 -0.02 -0.02 -0.01 -0.02 -0.01 -0.02 -0.02 -0.02 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 0.03 0.17 0.10 -0.27 0.26 -0.01 0.05 0.01 0.04 0.05 -0.04 -0.09 0.01 0.08 -0.10 0.03 -0.03 0.07 -0.01 0.04 0.00 0.06 0.03 0.09 0.58 0.28 0.19 -0.11 0.04 -0.04 -0.11 -0.07 -0.09 -0.07 -0.10 0.02 0.12 -0.10 -0.11 0.06 0.03 -0.17 0.17 -0.02 -0.14 -0.10 0.00 -0.02 0.26 0.00 0.09 -0.03 -0.01 0.02 -0.02 -0.03 0.02 0.01 0.03 -0.01 0.02 0.06 -0.01 -0.00 0.00 0.00 -0.03 0.02 0.03 -0.00 -0.00 -0.01 -0.00 -0.01 0.04 0.01 0.00 0.01 0.11 0.07 -0.06 -0.03 -0.01 0.01 -0.03 -0.01 0.02 0.01 0.02 0.01 0.00 -0.00 -0.01 0.01 0.00 -0.01 0.01 0.00 -0.00 0.01 0.01 0.02 0.02 -0.01 -0.01 0.02 -0.01 -0.04 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.03 -0.05 0.01 -0.04 -0.03 -0.05 -0.06 -0.04 0.01 0.03 0.03 -0.02 0.01 -0.02 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 -0.02 0.04 -0.04 -0.00 -0.01 -0.00 -0.01 -0.01 0.01 0.03 -0.00 -0.02 0.03 -0.02 0.01 -0.01 -0.00 -0.01 0.01 -0.02 -0.02 -0.03 -0.23 -0.11 -0.08 0.05 -0.02 0.01 0.04 0.03 0.04 0.03 0.04 -0.01 -0.04 0.04 0.05 -0.02 -0.01 0.07 -0.07 0.00 0.06 -0.52 0.03 -0.14 0.67 0.07 0.19 -0.07 -0.03 0.04 -0.05 -0.06 0.05 0.03 0.07 -0.01 0.07 0.19 -0.04 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.02 0.03 0.02 0.07 -0.02 -0.01 0.02 0.02 0.00 -0.01 -0.06 -0.05 -0.05 0.06 -0.05 0.04 -0.01 0.01 0.00 -0.00 -0.00 -0.01 0.02 0.03 0.04 -0.03 0.03 0.02 0.06 0.00 -0.04 -0.03 -0.01 0.00 0.01 -0.00 -0.02 -0.03 -0.01 -0.03 -0.03 -0.02 -0.04 -0.01 -0.01 0.00 0.02 0.02 -0.01 0.00 -0.03 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.17 0.34 0.15 -0.33 0.39 -0.04 0.02 -0.01 0.01 0.05 -0.02 0.01 -0.02 0.01 -0.03 0.01 -0.01 0.05 -0.02 0.00 0.02 0.03 0.01 0.03 -0.29 -0.15 -0.08 0.11 -0.05 0.02 0.06 0.03 0.05 0.07 0.10 -0.03 -0.07 0.10 0.14 -0.05 -0.00 0.17 -0.12 -0.02 0.10 0.40 0.00 0.16 -0.08 -0.06 -0.01 -0.08 -0.01 -0.02 -0.02 -0.07 -0.01 0.04 0.17 -0.03 0.05 0.19 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.04 -0.04 -0.00 0.05 -0.02 -0.00 0.01 0.03 0.03 0.03 -0.03 0.02 -0.02 0.01 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.01 -0.01 0.02 -0.02 -0.01 -0.03 -0.00 0.01 0.01 0.01 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.01 0.02 0.01 -0.02 -0.02 -0.12 -0.01 0.02 0.01 -0.01 -0.00 0.01 0.00 -0.09 -0.17 -0.08 0.13 -0.17 0.01 -0.01 0.00 -0.00 -0.03 0.01 0.00 0.00 -0.01 0.02 -0.02 0.01 -0.02 0.01 -0.01 -0.00 -0.02 -0.02 -0.02 0.11 0.06 0.03 -0.05 0.02 -0.01 -0.03 -0.01 -0.02 -0.03 -0.05 0.01 0.05 -0.06 -0.07 0.03 0.01 -0.09 0.06 0.01 -0.05 0.11 0.01 0.05 -0.19 -0.01 -0.08 -0.10 -0.02 -0.05 -0.04 -0.10 -0.02 0.17 0.59 -0.11 0.16 0.57 -0.03 -0.01 0.01 0.01 -0.02 0.02 -0.01 -0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 -0.02 0.11 0.07 0.12 -0.05 -0.05 -0.03 -0.05 -0.01 0.01 0.05 0.05 0.03 -0.01 0.00 -0.02 0.01 -0.00 -0.01 0.02 0.01 -0.02 -0.01 -0.01 -0.01 0.04 -0.03 -0.01 -0.03 -0.01 -0.01 0.02 0.01 0.01 -0.02 0.01 0.03 -0.06 -0.04 -0.04 -0.08 -0.05 -0.10 -0.03 -0.03 0.01 0.06 0.05 0.02 0.04 0.09 0.01 -0.01 -0.00 0.01 0.00 -0.01 -0.00 -0.13 -0.18 -0.09 0.06 -0.11 -0.01 0.01 -0.00 -0.00 -0.03 0.02 0.04 -0.00 -0.04 0.05 -0.08 0.06 0.03 -0.03 -0.02 0.05 -0.07 -0.09 0.02 0.06 0.03 0.01 -0.07 0.02 -0.05 -0.05 -0.02 -0.03 -0.04 -0.09 -0.02 0.10 -0.11 -0.13 0.06 0.04 -0.17 0.11 0.02 -0.08 0.49 0.06 0.25 -0.09 -0.02 -0.06 -0.22 -0.03 0.01 -0.04 -0.18 -0.00 -0.19 -0.45 0.08 -0.03 -0.17 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 0.02 0.01 0.02 -0.01 -0.01 -0.00 0.00 0.01 -0.02 0.01 0.00 0.01 -0.02 0.02 -0.00 0.02 -0.00 0.02 -0.02 -0.01 0.05 -0.00 -0.01 -0.03 0.01 -0.01 -0.00 -0.03 0.01 0.05 0.03 0.01 0.00 0.08 -0.01 -0.10 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.05 -0.02 0.05 -0.08 0.01 -0.11 -0.00 -0.02 -0.08 0.04 -0.08 -0.06 -0.03 -0.09 0.05 -0.05 -0.18 0.11 0.04 -0.12 0.02 0.11 -0.16 0.18 0.08 0.05 -0.14 0.04 -0.09 -0.09 -0.06 -0.06 -0.09 -0.15 -0.01 -0.39 0.30 0.23 -0.22 -0.21 0.46 -0.26 -0.01 0.17 0.04 0.01 0.03 -0.04 0.01 -0.03 -0.04 -0.01 0.00 -0.01 -0.04 0.00 -0.02 -0.04 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.01 0.01 -0.01 -0.01 -0.00 0.01 0.00 -0.01 0.01 0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.01 -0.02 0.01 -0.01 -0.00 -0.02 0.02 0.06 -0.07 -0.07 -0.11 0.01 -0.01 -0.03 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.01 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.07 -0.02 0.05 -0.07 0.01 0.03 0.01 0.01 0.03 -0.02 0.00 0.04 0.03 0.01 0.02 -0.02 -0.05 0.03 0.01 -0.03 0.01 0.04 -0.03 0.15 0.07 0.03 0.30 0.02 0.51 0.38 0.18 0.16 0.17 0.46 0.33 -0.03 0.03 0.02 -0.02 -0.01 0.05 -0.01 -0.00 -0.01 0.02 0.01 0.02 -0.03 0.00 -0.02 -0.04 -0.01 -0.00 -0.01 -0.04 -0.00 -0.02 -0.04 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.01 -0.00 -0.00 0.02 0.02 -0.05 -0.02 -0.02 0.01 -0.01 0.01 0.01 0.07 -0.00 0.06 -0.04 -0.02 0.10 0.00 0.01 0.02 0.00 -0.00 -0.00 0.03 -0.00 -0.03 -0.01 -0.00 0.01 -0.04 0.01 0.04 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.01 0.03 -0.01 -0.01 0.02 -0.33 -0.01 -0.06 -0.23 0.14 -0.25 -0.20 -0.09 -0.30 0.14 -0.12 -0.33 0.22 0.05 -0.24 0.06 0.26 -0.33 -0.14 -0.08 -0.04 0.06 -0.03 0.00 0.01 0.01 0.01 0.04 0.05 -0.03 0.17 -0.12 -0.08 0.10 0.10 -0.18 0.09 0.01 -0.06 0.00 0.00 0.00 -0.02 0.00 -0.01 -0.02 -0.00 -0.00 -0.00 -0.02 -0.00 -0.01 -0.03 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 -0.02 -0.01 -0.01 0.04 0.01 -0.00 -0.01 -0.02 -0.00 -0.02 0.03 -0.00 -0.10 -0.00 -0.06 -0.04 -0.02 0.07 0.00 0.01 0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.02 0.00 0.01 0.02 -0.01 0.00 0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.01 0.01 0.00 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.06 -0.05 0.01 0.38 0.04 0.10 0.35 -0.22 0.21 0.31 0.22 0.27 0.17 -0.13 -0.28 0.17 0.04 -0.20 0.09 0.25 -0.26 -0.07 -0.04 -0.01 -0.01 -0.01 -0.06 -0.04 -0.02 -0.01 -0.01 -0.04 -0.05 0.04 -0.02 -0.00 0.02 0.03 -0.03 0.01 -0.00 0.00 -0.05 0.01 -0.01 -0.09 0.01 -0.05 -0.07 -0.01 -0.01 -0.02 -0.06 -0.00 -0.03 -0.04 0.01 0.01 0.02 -0.00 -0.00 -0.00 -0.00 -0.02 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.04 -0.00 -0.02 0.01 0.08 0.06 0.04 -0.05 -0.01 -0.01 0.04 0.04 0.01 0.02 -0.02 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.04 -0.00 -0.01 -0.01 0.02 -0.01 -0.00 -0.02 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.06 -0.01 -0.03 0.00 -0.00 0.00 -0.04 -0.03 0.03 -0.06 -0.05 -0.02 -0.03 -0.02 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.12 -0.09 -0.05 -0.09 0.04 -0.02 0.08 0.00 0.02 0.05 -0.03 0.07 0.05 0.01 0.08 -0.03 -0.00 -0.15 0.12 0.01 -0.11 -0.06 0.03 -0.17 0.04 0.02 0.00 -0.02 0.02 0.02 0.02 0.01 0.01 -0.01 -0.01 0.03 -0.01 -0.01 -0.04 0.00 -0.01 -0.01 0.02 0.02 -0.02 0.45 0.02 0.19 0.45 -0.02 0.19 0.35 0.03 0.07 0.08 0.33 0.04 0.15 0.17 -0.03 -0.06 -0.16 0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.01 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 -0.02 0.03 0.02 0.03 0.03 0.02 0.02 0.12 0.03 0.02 -0.08 -0.08 -0.01 -0.12 0.10 -0.01 -0.01 -0.01 0.00 -0.03 -0.00 -0.05 0.00 0.02 0.01 0.06 -0.06 -0.01 0.03 0.01 -0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.01 -0.03 -0.02 -0.01 -0.02 -0.02 -0.02 -0.04 -0.03 0.02 -0.02 -0.02 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.23 0.06 0.04 0.44 -0.32 0.06 -0.10 0.02 -0.02 -0.01 -0.01 -0.11 0.01 0.06 -0.10 0.22 -0.10 0.16 -0.22 0.01 0.20 0.25 0.13 0.27 -0.05 -0.03 0.00 0.05 -0.04 -0.03 -0.05 -0.00 -0.02 0.04 0.02 -0.08 0.03 0.02 0.07 0.01 0.02 0.00 -0.02 -0.04 0.04 0.15 0.10 0.14 0.06 0.08 -0.05 0.20 0.00 0.09 0.03 0.20 0.07 0.10 0.04 -0.01 -0.01 -0.09 -0.04 0.00 0.00 0.00 0.01 -0.02 -0.01 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 0.04 0.04 0.03 0.01 0.01 0.03 -0.01 -0.00 -0.00 0.01 0.01 -0.00 0.02 -0.02 0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.02 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.03 -0.02 0.01 -0.03 -0.02 -0.02 -0.04 -0.03 -0.00 -0.01 -0.01 -0.02 -0.05 0.02 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.03 0.01 0.00 -0.07 0.06 -0.01 0.01 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 0.01 -0.04 0.02 -0.01 0.03 -0.01 -0.03 -0.04 -0.03 -0.04 0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.24 0.08 -0.03 -0.32 0.08 -0.20 0.14 -0.01 0.08 0.02 0.15 0.07 0.59 -0.09 0.05 0.13 -0.18 -0.53 0.00 0.00 0.00 -0.01 0.02 0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.04 -0.04 -0.03 -0.02 -0.01 0.01 0.01 0.00 0.00 -0.01 -0.01 0.00 -0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.03 0.02 -0.01 0.04 0.03 0.03 0.04 0.03 -0.01 0.02 0.02 0.04 -0.03 0.02 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 -0.01 -0.00 0.06 -0.05 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.01 0.04 -0.02 0.01 -0.03 0.01 0.03 0.04 0.03 0.03 -0.01 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.01 0.24 -0.10 0.02 0.30 -0.10 0.22 -0.31 0.06 -0.30 0.01 -0.35 -0.25 0.42 -0.10 0.04 0.12 -0.08 -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 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 -0.04 0.02 -0.01 0.03 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.01 -0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 0.01 -0.00 0.01 -0.00 -0.01 -0.02 -0.01 -0.01 0.01 0.00 0.00 -0.11 0.15 0.36 -0.17 0.54 -0.23 0.12 -0.07 -0.41 0.09 0.09 0.23 -0.06 -0.13 -0.20 0.09 -0.33 0.16 0.00 -0.01 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.02 0.00 0.04 0.02 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 -0.01 -0.00 0.00 -0.01 0.00 -0.01 0.01 0.00 0.01 -0.01 0.00 0.01 0.01 -0.01 -0.03 0.02 0.01 0.02 -0.00 -0.02 -0.03 -0.03 -0.01 0.06 0.03 0.02 0.43 -0.19 -0.01 -0.35 -0.06 -0.19 0.32 0.27 -0.37 -0.28 -0.02 -0.25 -0.12 -0.15 0.11 0.13 0.19 -0.21 0.01 -0.01 -0.01 0.00 -0.01 0.01 0.00 -0.00 0.01 -0.01 0.00 0.01 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.02 -0.01 0.01 -0.01 -0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.04 0.00 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 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.03 0.01 0.00 0.05 -0.02 0.01 -0.16 0.54 0.07 0.10 -0.08 0.30 0.05 0.20 -0.43 -0.04 0.05 0.21 0.12 -0.30 -0.13 -0.25 -0.16 -0.19 0.01 0.01 0.01 0.03 -0.03 -0.05 0.00 -0.07 0.02 0.00 0.02 0.03 0.04 0.02 0.07 -0.00 -0.01 -0.05 0.00 -0.08 0.05 -0.01 0.05 0.04 0.01 0.05 -0.04 -0.02 0.01 -0.04 0.01 -0.03 -0.04 -0.01 0.01 -0.00 -0.01 -0.01 0.02 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.03 -0.00 -0.00 -0.01 0.06 0.05 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.01 0.01 0.00 -0.00 0.01 -0.00 0.01 -0.05 0.01 -0.00 -0.00 0.01 -0.04 -0.03 0.04 -0.01 -0.01 0.04 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.00 -0.03 0.02 -0.00 0.02 -0.15 -0.02 -0.00 0.01 -0.10 0.00 -0.03 0.10 -0.05 0.02 -0.03 0.01 0.05 -0.01 -0.01 -0.02 0.02 0.01 0.00 0.01 0.10 -0.07 -0.08 -0.03 -0.12 0.01 0.04 0.07 0.02 0.01 0.05 0.11 -0.04 -0.09 -0.11 0.07 -0.16 0.06 -0.13 0.39 0.24 0.03 0.37 -0.32 -0.17 0.11 -0.33 0.10 -0.22 -0.31 -0.06 0.08 -0.02 -0.07 -0.08 0.13 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.02 0.02 0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.02 0.01 0.01 -0.00 0.00 -0.00 0.01 -0.02 0.00 0.01 -0.02 -0.01 0.01 -0.02 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 0.03 0.01 -0.00 0.01 0.00 -0.01 0.10 0.02 -0.00 0.00 0.08 -0.01 0.01 -0.07 0.07 -0.03 0.02 -0.03 -0.04 0.03 0.03 0.04 -0.00 -0.06 -0.03 -0.03 -0.27 0.19 0.24 0.08 0.36 -0.04 -0.09 -0.19 -0.08 -0.17 -0.12 -0.36 0.02 0.11 0.26 -0.06 0.42 -0.24 -0.04 0.14 0.09 0.02 0.13 -0.11 -0.06 0.04 -0.12 0.03 -0.08 -0.11 -0.02 0.02 -0.01 -0.02 -0.03 0.04 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.04 -0.02 -0.01 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.00 0.02 -0.01 -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 0.00 0.00 0.00 0.01 -0.01 -0.00 0.02 -0.02 0.00 -0.01 -0.06 -0.01 0.01 -0.01 -0.05 0.02 0.01 0.03 -0.11 0.05 0.00 0.05 0.03 -0.06 -0.08 -0.08 -0.01 0.10 0.06 0.04 0.13 -0.05 0.03 -0.16 0.03 -0.10 0.12 0.07 -0.18 0.37 -0.09 0.12 0.30 0.51 0.21 -0.45 0.18 0.17 0.00 0.03 0.03 0.02 0.03 -0.02 -0.01 0.01 -0.03 0.01 -0.02 -0.02 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.02 -0.01 -0.03 0.02 0.02 0.01 0.01 -0.01 0.00 0.02 -0.01 -0.03 -0.02 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.01 0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.07 -0.04 -0.02 -0.07 0.03 -0.00 0.29 0.30 0.12 -0.30 0.17 0.47 -0.27 -0.28 -0.01 0.27 -0.14 -0.06 -0.15 -0.02 0.17 0.23 0.22 0.05 0.05 0.03 0.01 0.08 -0.04 -0.02 -0.06 -0.05 -0.02 0.05 0.05 -0.04 0.07 0.00 0.06 0.04 0.05 -0.01 -0.05 -0.03 0.05 -0.02 0.01 -0.00 -0.02 0.01 -0.02 -0.01 0.01 -0.03 0.01 -0.02 -0.03 -0.00 0.01 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.01 0.04 -0.05 -0.05 -0.02 -0.08 -0.06 -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 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.05 -0.01 0.04 0.03 0.01 0.09 0.07 -0.04 0.02 0.01 -0.03 0.01 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.02 0.01 -0.00 0.03 -0.01 0.01 -0.03 0.02 0.02 -0.03 -0.03 0.02 0.01 -0.00 0.01 0.01 -0.02 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.00 0.00 0.02 -0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.01 0.00 0.07 0.47 0.37 0.30 0.42 -0.26 0.08 -0.11 0.29 -0.11 0.12 0.28 0.05 -0.08 0.02 0.09 0.12 -0.13 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 -0.04 0.01 0.02 0.02 0.00 0.02 -0.01 -0.00 0.00 -0.02 0.01 0.01 -0.04 -0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.01 -0.02 -0.03 0.02 -0.01 -0.23 0.26 0.00 0.20 -0.12 0.08 0.12 0.22 -0.29 -0.16 0.03 -0.37 -0.11 0.55 0.12 0.25 0.07 0.32 -0.01 -0.01 -0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.01 0.01 -0.00 0.02 0.00 0.01 0.01 0.01 -0.01 -0.01 -0.01 0.02 -0.01 0.03 0.01 0.00 0.03 -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 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.09 -0.01 0.03 0.04 0.04 0.00 0.04 -0.03 -0.01 0.01 0.00 0.03 -0.02 0.02 -0.03 -0.01 -0.01 -0.01 -0.01 0.01 0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.05 -0.02 -0.02 -0.07 0.05 -0.02 -0.26 -0.09 -0.08 0.23 -0.12 -0.22 0.20 0.21 -0.06 0.49 -0.20 0.13 -0.20 -0.38 0.24 0.19 0.27 -0.14 0.06 0.04 0.01 0.04 -0.02 -0.00 -0.04 -0.02 -0.02 0.03 0.03 -0.02 0.04 -0.00 0.03 0.03 0.04 0.00 -0.04 -0.01 0.03 -0.02 0.01 0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 0.05 0.11 0.10 -0.21 -0.05 -0.02 -0.32 0.01 0.00 -0.07 -0.09 -0.07 -0.13 -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 -0.03 0.01 -0.08 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.03 -0.20 -0.18 0.32 0.17 0.10 0.57 0.04 0.04 -0.06 -0.00 -0.01 0.03 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.01 0.02 0.01 0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.01 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 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.01 -0.00 -0.08 -0.07 -0.03 0.10 0.06 0.03 -0.05 -0.13 0.24 -0.16 -0.01 0.21 0.02 -0.05 0.05 0.10 0.17 -0.14 -0.01 0.00 0.01 0.00 -0.00 0.01 0.01 -0.00 0.06 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 0.07 0.03 0.02 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.45 -0.16 -0.01 -0.02 0.01 -0.10 0.50 0.14 -0.05 -0.05 -0.02 -0.02 -0.05 -0.00 0.03 -0.00 0.00 -0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.06 -0.00 0.02 0.03 -0.06 0.02 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.19 0.21 0.28 -0.19 0.02 -0.09 0.19 0.10 0.10 -0.13 -0.15 -0.02 -0.20 0.07 0.05 -0.14 -0.11 0.14 0.21 -0.00 -0.17 0.02 -0.00 -0.00 0.02 -0.02 0.02 0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.03 0.01 -0.04 -0.08 0.01 -0.45 0.00 0.00 -0.01 -0.01 -0.00 -0.05 -0.01 -0.01 -0.02 -0.01 -0.01 -0.02 -0.00 0.02 0.03 0.01 0.03 0.03 -0.04 0.01 -0.09 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.10 -0.04 -0.00 0.21 -0.08 0.71 0.11 0.03 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.03 -0.00 0.04 -0.00 -0.00 0.01 0.03 0.02 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 0.02 -0.12 -0.07 -0.14 0.13 -0.13 0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.05 0.02 0.06 -0.00 -0.00 -0.01 0.05 -0.03 -0.05 -0.03 0.01 -0.07 0.01 0.03 0.06 -0.04 0.00 -0.03 0.04 0.02 0.02 -0.03 -0.04 -0.01 -0.05 0.02 0.01 -0.03 -0.03 0.03 0.05 0.00 -0.04 -0.12 0.02 0.01 -0.13 0.12 -0.11 -0.01 -0.01 0.03 -0.01 0.00 0.02 0.00 -0.00 0.01 0.01 0.03 -0.02 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.03 0.16 0.15 -0.32 0.03 0.01 0.25 0.05 0.04 0.01 0.03 0.03 0.06 -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 0.05 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.05 -0.02 -0.01 -0.29 -0.27 0.53 -0.07 -0.03 -0.48 0.04 0.03 -0.03 0.00 0.01 -0.02 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.09 0.06 0.12 0.17 0.07 -0.02 -0.05 -0.00 -0.02 -0.03 -0.08 0.03 -0.03 -0.01 -0.03 -0.06 -0.11 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 -0.01 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 0.02 -0.07 -0.02 -0.12 0.51 0.12 0.09 -0.36 -0.08 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.03 -0.01 0.01 -0.03 -0.03 0.17 -0.71 -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 0.00 -0.00 -0.00 0.00 0.00 -0.04 -0.02 -0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.21 0.53 -0.20 -0.23 0.06 0.32 0.53 -0.39 0.17 -0.02 -0.07 0.03 -0.03 0.02 -0.01 0.02 0.02 0.02 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.04 -0.00 -0.02 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -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 -0.14 -0.09 0.44 0.27 0.53 -0.02 0.39 -0.43 -0.18 -0.05 -0.12 0.01 0.05 0.00 0.04 -0.10 0.10 0.04 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 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 0.04 -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 0.03 -0.00 -0.01 -0.00 -0.01 0.02 -0.02 -0.01 0.01 -0.00 -0.01 0.02 0.04 -0.01 -0.02 0.01 0.03 0.06 -0.04 0.02 0.28 0.75 -0.35 0.26 -0.19 0.08 -0.19 -0.17 -0.22 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.04 -0.01 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 -0.01 -0.00 -0.00 -0.00 -0.03 -0.02 0.10 0.06 0.12 -0.00 0.08 -0.09 -0.04 0.25 0.57 -0.03 -0.23 -0.01 -0.17 0.46 -0.47 -0.21 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.03 0.01 -0.01 0.01 -0.00 0.01 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -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 0.02 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.25 0.58 -0.22 -0.02 -0.01 0.04 -0.48 0.33 -0.15 0.00 0.00 -0.00 0.02 -0.02 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.10 -0.34 -0.15 -0.14 0.07 -0.09 -0.00 -0.00 -0.01 0.02 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.03 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.05 -0.04 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.11 0.26 -0.10 -0.00 -0.01 0.01 -0.23 0.16 -0.07 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 -0.21 0.72 0.31 0.31 -0.16 0.18 0.00 0.00 0.03 -0.05 0.01 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.07 0.02 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -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 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.04 0.02 0.03 -0.02 0.02 -0.01 -0.06 -0.43 0.81 -0.19 0.32 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 -0.01 0.06 0.01 0.01 -0.07 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -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 -0.22 -0.41 0.01 0.31 -0.33 -0.14 0.24 0.49 -0.03 -0.01 -0.02 -0.01 -0.34 0.33 0.15 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.07 -0.01 0.01 -0.06 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.02 0.02 0.25 0.46 -0.02 -0.35 0.36 0.16 0.21 0.44 -0.03 -0.01 -0.01 -0.01 -0.31 0.30 0.14 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.08 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.02 0.00 -0.01 0.00 0.02 0.02 -0.01 0.01 -0.15 -0.36 0.17 0.67 -0.43 0.18 -0.21 -0.17 -0.26 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -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 0.07 -0.00 -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 0.01 -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 -0.01 -0.04 -0.09 -0.26 0.09 -0.51 0.15 0.74 -0.20 0.15 -0.08 0.00 0.01 -0.00 -0.01 0.01 -0.00 0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -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 0.05 0.02 -0.08 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.03 -0.06 -0.00 -0.00 -0.02 -0.24 -0.17 0.82 -0.16 -0.32 -0.01 -0.20 0.23 0.08 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 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.07 0.06 -0.02 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 0.09 -0.37 -0.17 0.72 -0.32 0.44 -0.00 0.01 0.09 0.02 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.03 -0.00 -0.09 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.01 0.03 0.02 -0.07 0.03 -0.04 -0.01 0.14 0.88 0.39 -0.10 0.14 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -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 -0.07 0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 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 0.11 -0.50 0.83 -0.00 -0.01 -0.07 -0.02 -0.01 0.06 -0.00 -0.01 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 0.02 -0.01 -0.04 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.09 0.06 -0.02 -0.07 -0.06 -0.09 -0.00 -0.01 0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.07 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.24 -0.40 0.61 0.19 -0.39 -0.48 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -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 -0.07 -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 0.02 -0.08 0.14 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.01 -0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 0.13 -0.07 0.36 -0.26 0.09 0.46 0.42 0.58 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 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 0.04 -0.01 -0.07 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.03 0.04 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.02 -0.05 0.01 -0.15 -0.01 -0.12 -0.03 0.03 0.01 -0.43 0.19 0.85 -0.00 -0.00 0.00 -0.02 0.01 0.04 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.02 -0.02 0.01 0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.08 -0.01 -0.04 0.01 -0.00 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.07 0.18 -0.02 0.74 0.03 0.58 0.12 -0.13 -0.06 -0.09 0.04 0.18 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.08 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.04 0.06 0.06 0.23 0.96 -0.00 -0.00 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.04 -0.01 -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 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.20 -0.33 0.50 -0.22 0.46 0.57 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.03 0.01 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.23 0.94 0.21 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.99491 15.99491 15.99491 15.99491 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 318.15796 0.99998 0.00386 0.00441 -0.00395 0.9998 0.01938 -0.00434 -0.0194 0.9998 asymmetric 1 0.01963 0.00922 0.00785 0.40899 0.19213 0.16359 963515.9 40.60 48.31 58.40 80.23 95.51 107.33 114.13 130.98 164.96 180.00 206.92 226.77 244.06 263.21 269.62 290.70 297.60 328.69 340.29 349.66 390.89 395.68 411.91 440.59 484.43 503.07 519.93 539.24 557.77 583.25 610.65 669.29 673.18 728.27 780.75 828.12 835.52 890.46 937.90 951.08 971.27 989.05 1045.10 1049.23 1088.12 1135.61 1152.87 1186.45 1201.77 1228.37 1237.24 1315.81 1329.19 1359.02 1363.07 1375.91 1391.57 1404.96 1444.62 1446.06 1448.99 1466.91 1479.87 1516.11 1547.77 1559.45 1582.31 1598.63 1632.85 1642.03 1681.23 1721.54 1739.23 1744.29 1758.28 1778.79 1815.05 1911.51 1911.84 1944.67 1952.62 1989.08 1995.45 2011.89 2021.30 2023.82 2025.31 2037.03 2048.25 2071.03 2085.26 2088.00 2095.18 2113.34 2115.30 2117.18 2118.94 2123.07 2125.36 2134.17 2143.37 2156.40 2425.89 2454.50 2469.21 2543.37 3184.52 4322.09 4341.94 4352.26 4355.63 4385.71 4388.02 4404.80 4426.40 4429.75 4440.65 4452.58 4453.04 4471.17 4478.23 4488.41 4489.64 4501.40 4510.72 4528.84 4576.97 4580.64 4954.34 0.366984 0.391127 0.392071 0.313054 -1071.408429 -1071.384286 -1071.383342 -1071.462359 245.436 89.953 166.305 0.000 0.000 0.000 0.889 2.981 43.168 0.889 2.981 34.480 243.658 83.992 88.657 1 0.593 1.984 5.951 2 0.594 1.983 5.606 3 0.594 1.981 5.230 4 0.596 1.975 4.602 5 0.598 1.970 4.258 6 0.599 1.966 4.028 7 0.600 1.963 3.907 8 0.602 1.956 3.638 9 0.608 1.937 3.189 10 0.610 1.928 3.020 11 0.616 1.909 2.752 12 0.621 1.894 2.578 13 0.625 1.880 2.440 14 0.630 1.863 2.298 15 0.632 1.857 2.253 16 0.639 1.837 2.114 17 0.641 1.830 2.071 18 0.651 1.798 1.891 19 0.655 1.785 1.829 20 0.659 1.774 1.781 21 0.675 1.725 1.585 22 0.677 1.720 1.565 23 0.684 1.699 1.496 24 0.697 1.662 1.383 25 0.717 1.602 1.228 26 0.727 1.576 1.168 27 0.736 1.552 1.116 28 0.746 1.524 1.060 29 0.756 1.497 1.009 30 0.770 1.459 0.943 31 0.786 1.417 0.877 32 0.823 1.327 0.751 33 0.825 1.321 0.743 34 0.861 1.236 0.643 35 0.898 1.156 0.560 36 0.932 1.084 0.494 37 0.937 1.073 0.484 38 0.979 0.992 0.418 0.639705e+25 24.805980 57.117879 0.374652e+10 9.573628 22.044094 0.100000e+01 0.000000 0.000000 0.223058e+09 8.348418 19.222943 0.765479e+07 6.883933 15.850843 water ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.8222 3.1184 -1.2677 4.3928 -106.3015 -129.5459 -157.6351 0.0801 11.4656 6.9206 24.8593 1.6149 -26.4743 0.0801 11.4656 6.9206 52.9133 -16.9202 -9.1124 17.0346 -18.2072 7.1530 -21.2835 32.5034 -11.0443 -0.3435 -5657.5550 -2131.8416 -1299.1291 -135.8520 53.5873 92.8304 63.4593 39.0350 42.3094 -1454.5139 -1234.3225 -666.6192 -7.6606 5.9287 8.7194 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1071.7754129 1.717E-9 4.998E-6 0.3669838 0.3911266 -1071.3842863 -1071.3833421 -1071.4623589 19.6760394,0.470949,-20.1469884,0.8936438,-4.695376,-6.70008 C01 [X(C17H22N2O4)] -1.0142322 -1.30072 -0.5160449 -1.6804618 0.7205057 -0.3619275 0.8876526 -1.0812803 0.409653 -0.3970556 0.4554595 -1.0772956 -0.9149535 0.3048952 0.2723678 0.2225595 -0.6694812 -0.1154475 0.0862038 -0.2212964 -1.6382554 -0.7345047 -0.2885242 -0.389722 -0.1950075 -0.9483891 -0.6732226 -0.1416865 -0.5943695 -1.9148796 -0.8340049 -0.190754 0.3006914 -0.1087602 -0.6900387 -0.0779115 0.4232303 0.1860235 -2.3599202 -1.1463049 -0.3047177 0.2021028 -0.627675 -0.8333487 -0.136959 0.016425 -0.5290577 -2.0974247 -1.2871167 -0.6546831 0.3619697 -0.3748338 -0.9781249 0.1620518 0.2229724 0.1553299 -0.9443873 0.3164365 -0.0024003 -0.0245753 -0.3229166 0.5750469 -0.0613284 0.1580156 -0.1128433 0.1864025 0.3490336 -0.2606119 0.0388426 -0.0281376 0.3201465 0.0292943 0.1766198 -0.2850395 0.0424016 -0.7380266 0.715064 0.0058486 0.5912355 -0.9362007 0.0048699 -0.0511438 0.0872604 -0.0648788 0.0843478 0.0182919 0.037882 0.0377344 0.1262324 -0.0328944 -0.059696 0.0071834 0.0270667 -0.0463282 0.0177169 0.0432555 0.0210621 0.1035011 -0.007444 0.0966926 -0.0230982 -0.005121 -0.3235883 0.0162032 0.0095745 0.1367612 -0.2560642 -0.1058324 -0.1403745 -0.2368606 0.0677335 1.8167525 -1.3813082 0.128185 -1.0985355 1.3261302 -0.2139566 0.2510108 0.0367491 2.2525726 0.49087 0.2436725 0.093897 0.202487 -0.0978218 -0.1143063 0.1397677 -0.0344955 0.3077358 -0.015941 -0.1145306 0.0827083 -0.0521076 0.1217415 0.0823395 0.0089577 0.0396574 -0.0032653 -0.0749269 -0.0662591 -0.0822707 -0.0388943 0.1090179 0.0449943 -0.0352402 0.0632445 -0.0924728 1.8102246 -0.0841103 -0.2492766 -0.0452545 0.9026906 -0.1690649 -0.3529892 -0.0254918 0.385413 0.901587 0.4475907 -0.1248911 0.4293423 0.9671537 0.4757725 -0.1839883 0.7426828 3.0356629 1.7895297 1.0333911 -0.3086177 0.8164278 1.2264867 0.3265577 -0.3965286 -0.1289986 3.2738664 -0.0735979 -0.3890711 -0.0145517 -0.4431694 -0.0705268 0.0418677 0.0375085 0.1318245 0.6135778 0.6192922 0.3091063 0.0761117 0.2391861 1.009333 0.0551708 0.2299931 0.2125083 0.1876195 -0.2617157 -0.078547 -0.0304827 -0.1397744 0.0418661 -0.135718 -0.0637044 -0.1256974 -0.1645189 -0.2711375 0.067051 0.0100214 -0.0221122 -0.6457198 0.0760864 0.0325725 0.119569 -0.3067928 -0.0235876 -0.007261 0.0630456 -0.0280491 -0.099578 -0.0701167 0.075836 -0.0203277 -0.045951 0.0355308 0.056718 0.0168741 0.0108419 0.0667872 0.0456965 0.0085432 0.0613004 -0.0592454 0.0373848 -0.0297861 -0.0632346 -0.0148822 0.0837162 -0.0776352 0.0007582 -0.0702295 -0.1718106 -0.0478751 -0.0902764 0.0281467 -0.1681946 -0.1621077 0.0093885 0.0421647 -0.0182832 0.0901373 -0.1335852 0.115363 -0.0328822 0.1587503 -0.0318771 0.0787317 -0.0491077 0.0931101 0.0363687 0.0405707 -0.1120862 -0.0332384 -0.1478697 -0.1679144 -0.0519178 -0.0446642 0.00182 0.0400773 -0.0192411 -0.0217245 0.1200875 -0.0260704 0.1147053 -0.0076075 0.1011155 -0.0082783 -0.0116076 -0.0564512 0.116089 -0.1220329 0.1349751 -0.0254874 0.0752966 -0.1408559 0.0437697 -0.002728 0.0373032 -0.0722875 -0.064219 -0.0596503 0.1429475 0.0651591 -0.07037 0.1218276 -0.1291324 0.035676 -0.1000671 0.0044622 -0.1698214 -0.164401 -0.0421235 0.0277073 -0.0591141 0.0323171 0.0031147 0.0085506 -0.1370109 -0.0199272 0.0879252 0.0276028 -0.061769 0.063948 -0.1527634 -0.1411162 0.0650876 0.0549623 0.1295674 0.0031885 -0.0058342 0.0988579 0.0543524 0.0682808 0.0692235 -0.0610403 -0.0446002 -0.0951291 -0.1243036 -0.1026315 -0.1201527 -0.086807 0.020702 -0.0937167 0.0910248 -0.0065311 0.1592495 0.0543538 0.0159252 -0.0126146 -0.0546443 0.0408787 0.0138607 -0.0646891 0.100614 -0.0554544 0.054691 0.1062382 0.0542026 0.0855793 -0.0586732 -0.0190768 -0.0034317 -0.018448 0.0080723 0.0630678 -0.0150507 0.0187736 -0.1146556 0.0758365 -0.0349836 0.0287151 0.0107825 0.0152752 0.0696723 0.055313 0.0248242 0.1051199 0.0294677 0.1168271 0.0330256 -0.0457822 0.0291541 0.0535288 0.0681599 -0.0152031 0.0000326 0.006753 0.019626 0.040524 0.0645576 0.0503785 0.1090007 -0.0565357 -0.0019816 -0.0433713 0.0256393 0.1480553 -0.0300055 0.0264638 -0.0129785 -0.0168039 0.0269708 -0.0414188 -0.0285117 0.0316052 -0.0497573 -0.0368023 0.0074139 0.0171742 -0.0614408 0.0032682 0.0515009 -0.0324308 0.1371281 0.2867527 -0.0036108 -0.0065733 -0.0026814 0.3279791 -0.0128702 -0.0037086 -0.0144502 0.28588 325.483719|19.5543046|306.9414634|-0.0129125|-6.173263|313.2260175 0.000004095 0.000000000 -0.000000850 0.000000032 -0.000000862 0.000001047 0.000002954 0.000007242 0.000000520 0.000008647 -0.000001208 -0.000014703 0.000000906 -0.000004067 -0.000001903 0.000009066 0.000002190 -0.000010612 0.000005117 -0.000009724 0.000010040 0.000000044 0.000004847 0.000002111 -0.000000898 -0.000009801 0.000000088 -0.000001410 -0.000007388 0.000006971 -0.000002458 -0.000003078 0.000001784 -0.000002749 -0.000004334 0.000003494 0.000003588 -0.000000514 -0.000001579 -0.000003286 0.000001268 0.000001698 -0.000006558 0.000003580 0.000001538 0.000000081 -0.000000406 0.000002080 0.000008131 0.000001439 -0.000005577 0.000002577 0.000007311 -0.000015160 -0.000004055 0.000006115 0.000008826 -0.000003916 0.000006063 -0.000005545 0.000000050 0.000004063 -0.000004814 -0.000001274 0.000004170 -0.000004766 -0.000002456 0.000005386 -0.000001892 -0.000000748 -0.000006610 0.000006071 0.000003499 -0.000004652 0.000002720 0.000002888 -0.000009630 0.000006571 0.000003205 -0.000008372 0.000005999 0.000000794 -0.000008490 0.000008916 0.000000152 -0.000004231 0.000004599 -0.000002316 -0.000002476 0.000004152 -0.000002040 -0.000004637 0.000007426 -0.000005481 -0.000000067 0.000005173 -0.000006300 0.000001344 0.000002861 -0.000007609 0.000002743 0.000003372 -0.000005578 0.000003516 -0.000000280 -0.000002968 -0.000001179 0.000001956 -0.000002259 0.000001398 0.000000361 0.000000509 -0.000001451 0.000001637 0.000005832 0.000000347 -0.000004019 0.000006851 -0.000000100 -0.000004787 -0.000002365 0.000005964 -0.000003797 -0.000000427 0.000007874 -0.000007895 0.000002203 0.000004444 -0.000006421 0.000001538 0.000006866 -0.000006442 -0.000005607 0.000005108 -0.000000969 296.1928999999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;5;6;1;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.8897,1.7392,-1.03;1.3155,1.1949,1.1211;-1.4953,2.0032,2.0375;-1.8311,.85,-2.4006;-1.3686,1.6326,-.2508;-3.097,.2535,-.5453;3.9517,-.1375,.1244;2.9001,-1.1396,-.2341;2.7238,.3538,-.6485;5.2331,-.1558,-.6917;4.1775,.264,1.5693;1.9982,-1.7779,.7657;1.6233,1.1156,-.0513;.7501,-2.1908,.5032;-.1107,-2.8366,1.5557;.0918,-2.0201,-.8389;-.2629,2.4878,-.6141;-1.8723,1.4511,1.0214;-2.0919,.8771,-1.2063;-2.9974,.4503,.8933;-3.9558,-.7599,-1.1488;-3.6139,-2.1218,-.7323;-3.3294,-3.2313,-.3667;3.1233,-1.7515,-1.1038;2.8686,.555,-1.7018;5.0483,-.4444,-1.7294;5.7052,.8316,-.6888;5.941,-.8707,-.2602;4.5913,1.2757,1.6182;3.2694,.2415,2.1667;4.9053,-.4174,2.0211;2.3933,-1.9127,1.7693;-.4426,-3.8299,1.2319;.4138,-2.9393,2.5085;-1.0194,-2.245,1.72;-.1961,-2.9942,-1.2505;-.8363,-1.4533,-.7284;.7224,-1.509,-1.5659;-.0313,3.1238,.2373;-.5323,3.0825,-1.4824;-2.7242,-.4735,1.414;-3.9192,.8468,1.3232;-3.8723,-.6622,-2.2322;-4.9933,-.5446,-.8796;-3.0681,-4.2151,-.0496; Gaussian 16 7-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 129 C1[X(C17H22N2O4)] 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 0 0 0 0 0 0 296.1928999999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;5;6;1;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.8897,1.7392,-1.03;1.3155,1.1949,1.1211;-1.4953,2.0032,2.0375;-1.8311,.85,-2.4006;-1.3686,1.6326,-.2508;-3.097,.2535,-.5453;3.9517,-.1375,.1244;2.9001,-1.1396,-.2341;2.7238,.3538,-.6485;5.2331,-.1558,-.6917;4.1775,.264,1.5693;1.9982,-1.7779,.7657;1.6233,1.1156,-.0513;.7501,-2.1908,.5032;-.1107,-2.8366,1.5557;.0918,-2.0201,-.8389;-.2629,2.4878,-.6141;-1.8723,1.4511,1.0214;-2.0919,.8771,-1.2063;-2.9974,.4503,.8933;-3.9558,-.7599,-1.1488;-3.6139,-2.1218,-.7323;-3.3294,-3.2313,-.3667;3.1233,-1.7515,-1.1038;2.8686,.555,-1.7018;5.0483,-.4444,-1.7294;5.7052,.8316,-.6888;5.941,-.8707,-.2602;4.5913,1.2757,1.6182;3.2694,.2415,2.1667;4.9053,-.4174,2.0211;2.3933,-1.9127,1.7693;-.4426,-3.8299,1.2319;.4138,-2.9393,2.5085;-1.0194,-2.245,1.72;-.1961,-2.9942,-1.2505;-.8363,-1.4533,-.7284;.7224,-1.509,-1.5659;-.0313,3.1238,.2373;-.5323,3.0825,-1.4824;-2.7242,-.4735,1.414;-3.9192,.8468,1.3232;-3.8723,-.6622,-2.2323;-4.9933,-.5446,-.8796;-3.0681,-4.2151,-.0496; oldchk=opt-b3lyp-pople.chk #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 Imiprothrin_RS CONF3 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 40 41 42 43 44 45 16 16 16 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 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 661 A 638 A 638 1004 661 85 85 2064.6389968249 45 45 45 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 -0.0554154605 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.259351 0.000000 3.894523 3.064952 0.000000 3.173593 4.735232 4.597792 0.000000 2.391254 3.045980 2.321573 2.334149 0.000000 4.282055 4.809771 3.506858 2.323933 2.230795 0.000000 3.772379 3.117419 6.157332 6.386811 5.619578 7.091274 0.000000 3.600400 3.130056 5.861456 5.571031 5.089904 6.164663 1.496172 0.000000 2.329992 2.412894 5.266475 4.905366 4.305909 5.822573 1.531858 1.559825 0.000000 4.750900 4.523049 7.575041 7.337203 6.853833 8.341462 1.519288 2.572962 2.560923 0.000000 4.443195 3.042725 5.951836 7.225352 5.995351 7.575600 1.516520 2.617938 2.653252 2.530307 0.000000 4.101617 3.070803 5.302686 5.620929 4.898995 5.639748 2.630243 1.490074 2.659017 3.901216 3.092544 0.000000 1.372888 1.214732 3.857044 4.185971 3.042758 4.823782 2.650051 2.598009 1.465615 3.880369 3.142509 3.029930 0.000000 4.220835 3.487827 4.998584 4.933695 4.435805 4.677022 3.822297 2.504224 3.420073 5.066193 4.348489 1.340623 3.464504 0.000000 5.350181 4.298395 5.056913 5.674760 4.981918 4.783370 5.083033 3.892069 4.803273 6.387013 5.291720 2.488516 4.605378 1.505263 0.000000 3.847757 3.959215 5.194147 3.791220 3.977527 3.927279 4.401270 3.004639 3.549487 5.470873 5.263944 2.503633 3.577497 1.504627 2.538113 0.000000 1.435855 2.678349 2.963892 2.886763 1.444235 3.609622 5.019986 4.827700 3.670848 6.099209 5.424827 5.021169 2.399399 4.915691 5.751517 4.527363 0.000000 3.452483 3.199677 1.216331 3.474649 1.380271 2.321376 6.103088 5.573489 5.011645 7.483565 6.189444 5.047041 3.671872 4.517671 4.666130 4.400827 2.517889 0.000000 3.108656 4.138613 3.485174 1.222741 1.416697 1.355077 6.270968 5.471021 4.875989 7.415310 6.883614 5.259912 3.897860 4.517924 5.034401 3.646477 2.508035 2.310922 0.000000 4.524299 4.382647 2.444793 3.517069 2.315136 1.455402 7.016171 6.211189 5.926034 8.403586 7.209023 5.471472 4.762950 4.601240 4.424364 4.318091 3.728407 1.511223 2.326037 0.000000 5.453280 6.063071 4.882747 2.945055 3.636544 1.458964 8.033532 6.927104 6.790254 9.220105 8.636349 6.336603 5.987376 5.188710 5.139246 4.250545 4.946833 3.733507 2.481413 2.559907 0.000000 5.939545 6.223781 5.401488 3.846190 4.401054 2.438026 7.868321 6.606492 6.804557 9.062937 8.467301 5.818846 6.194622 4.536113 4.244834 3.708632 5.700154 4.344452 3.396282 3.104561 1.464622 0.000000 6.553339 6.586365 6.045109 4.799860 5.245559 3.497023 7.926387 6.572659 7.040830 9.103908 8.504000 5.637262 6.597312 4.299055 3.769794 3.659874 6.494032 5.096489 4.372103 3.905300 2.666801 1.202329 0.000000 4.144809 4.110871 6.730257 5.744109 5.688273 6.559237 2.190816 1.086569 2.190690 2.677227 3.509789 2.182056 3.402636 2.899508 4.325378 3.054856 5.447678 6.303061 5.841015 6.804271 7.148337 6.757569 6.661094 0.000000 2.402030 3.284824 5.926472 4.760439 4.606518 6.084123 2.233326 2.242072 1.082077 2.667708 3.535217 3.505474 2.142197 4.109678 5.566897 3.884069 3.837278 5.540274 4.995493 6.415181 6.971865 7.080088 7.384672 2.396337 0.000000 4.748836 4.974516 7.937158 7.032156 6.904792 8.260430 2.175535 2.708085 2.684902 1.092820 3.484399 4.160060 4.120671 5.148619 6.567284 5.276574 6.168466 7.684663 7.280201 8.509465 9.028297 8.879251 8.933591 2.409444 2.398070 0.000000 4.912223 4.762059 7.788021 7.728285 7.132477 8.822392 2.162231 3.458481 3.019777 1.094469 2.784805 4.760961 4.141160 5.925301 7.233176 6.298049 6.194098 7.792807 7.814378 8.853465 9.802064 9.776053 9.911395 3.675756 3.024797 1.772743 0.000000 5.737608 5.250692 8.296828 8.242978 7.726347 9.112110 2.154691 3.052841 3.464195 1.094695 2.782920 4.173807 4.757269 5.410222 6.617050 5.989073 7.063470 8.251121 8.275048 9.108777 9.937229 9.648019 9.566809 3.070315 3.681111 1.771152 1.771210 0.000000 4.574964 3.314300 6.144295 7.588117 6.256287 8.052125 2.153530 3.482035 3.078256 2.792233 1.094147 4.095712 3.409143 5.292904 6.246905 6.094703 5.478660 6.493523 7.266498 7.667818 9.211612 9.186636 9.326876 4.327603 3.809182 3.791277 2.600065 3.155491 0.000000 4.257372 2.412478 5.081613 6.873533 5.412060 6.920011 2.186375 2.794147 2.869787 3.490598 1.087207 2.766982 2.897157 3.876862 4.612251 4.923977 5.025496 5.404833 6.365880 6.398262 8.012433 7.833881 7.875419 3.832645 3.901830 4.337516 3.799405 3.776811 1.765764 0.000000 5.485012 4.036825 6.843021 8.156989 6.980359 8.430522 2.141319 3.102933 3.532791 2.745027 1.094603 3.446439 4.173323 4.766002 5.588354 5.823959 6.487990 7.101167 7.813588 8.029761 9.417279 9.113940 9.023869 3.836733 4.353612 3.753302 3.089261 2.546134 1.768389 1.769568 0.000000 4.840767 3.352456 5.525128 6.547176 5.549911 6.339800 2.878474 2.206321 3.330427 4.148187 2.821551 1.086900 3.616380 2.092922 2.677560 3.480120 5.665650 5.483582 6.062479 5.950653 7.082048 6.510654 6.249035 2.968701 4.285283 4.630875 4.954005 4.217892 3.875525 2.359193 2.934203 0.000000 6.156760 5.324672 5.981791 6.084730 5.735400 5.184398 5.845540 4.534356 5.573590 7.029415 6.182130 3.222707 5.511153 2.154068 1.096214 2.801642 6.584279 5.475129 5.551626 4.996126 5.237861 4.102807 3.353710 4.742388 6.228755 7.097868 7.950747 7.192572 7.180283 5.588269 6.392834 3.465089 0.000000 5.885168 4.453044 5.319230 6.595220 5.629620 5.643132 5.103984 4.116065 5.113381 6.419841 5.030724 2.626110 4.945480 2.166635 1.092424 3.486206 6.297698 5.168457 5.885802 5.072868 6.100728 5.233902 4.728986 4.669063 5.996837 6.757333 7.241637 6.518761 6.000835 4.288159 5.174079 2.349192 1.776603 0.000000 5.203920 4.200443 4.286477 5.216997 4.363681 3.961079 5.630271 4.516986 5.135667 7.019637 5.772821 3.199262 4.627684 2.148239 1.096711 2.798852 5.330969 3.856972 4.411444 3.443838 4.365532 3.572202 3.265427 5.037781 5.887714 7.208131 7.777468 7.365963 6.624654 4.977551 6.207524 3.429234 1.755854 1.777048 0.000000 4.861367 5.045658 6.121520 4.332838 4.876661 4.411326 5.220725 3.749622 4.483024 6.151883 6.139674 3.218721 4.651811 2.148590 2.811977 1.096035 5.519225 5.266107 4.310774 4.930245 4.374677 3.565235 3.264188 3.547434 4.710934 5.851017 7.055396 6.569177 7.027201 5.844404 6.585485 4.122400 2.630859 3.808558 3.172286 0.000000 3.641688 3.881236 4.475699 3.015133 3.167724 2.838581 5.038199 3.781976 3.993228 6.206626 5.776322 3.220593 3.620411 2.139505 2.767145 1.093024 3.984220 3.545509 2.689923 3.305118 3.223224 2.856971 3.083479 3.988442 4.325101 6.053713 6.929186 6.818332 6.512512 5.301923 6.449702 4.108471 3.105768 3.774664 2.579739 1.748369 0.000000 3.296408 3.857862 5.498972 3.575209 3.996498 4.328544 3.894410 2.579257 2.883940 4.789744 4.990999 2.671408 3.161393 2.178721 3.492997 1.089668 4.225099 4.710540 3.707189 4.870675 4.756194 4.458067 4.563099 2.456883 2.980694 4.457896 5.574596 5.417132 5.732500 4.845984 5.617365 3.752077 3.817218 4.329116 3.791175 1.774537 1.770335 0.000000 2.090778 2.513062 2.576763 3.920219 2.061563 4.271993 5.149115 5.195366 4.006004 6.271596 5.259874 5.331454 2.617971 5.378349 6.104949 5.256680 1.087661 2.608056 3.373066 4.046657 5.692628 6.425847 7.185332 5.959724 4.332232 6.511702 6.246592 7.202228 5.166369 4.788008 6.331803 5.795821 7.036464 6.489747 5.656696 6.298482 4.746615 5.028214 0.000000 2.007717 3.708797 3.805526 2.741202 2.078052 3.931863 5.749448 5.582602 4.329305 6.659670 6.279961 5.922869 3.250053 5.778852 6.666566 5.180688 1.086372 3.275065 2.715196 4.318453 5.157123 6.094572 6.995175 6.072367 4.242874 6.606248 6.678520 7.682737 6.255365 5.986639 7.354620 6.639564 7.426717 7.285838 6.234936 6.090411 4.608072 4.760617 1.791659 0.000000 4.891710 4.380497 2.834254 4.135259 3.007487 2.122802 6.807605 5.898484 5.883729 8.237290 6.942668 4.941924 4.855214 3.981124 3.526212 3.923874 4.352042 2.141009 3.014951 1.095071 2.857740 2.848698 3.337962 6.493423 6.484169 8.384033 8.785209 8.834337 7.524499 6.082824 7.653793 5.327837 4.062488 4.138195 2.477442 4.454694 3.018914 4.672363 4.645064 5.083161 0.000000 5.427591 5.250171 2.778971 4.269306 3.098476 2.125858 8.022290 7.271413 6.946899 9.424929 8.121326 6.497339 5.716709 5.630454 5.303361 5.383431 4.451336 2.155438 3.120648 1.091686 2.948457 3.623655 4.453522 7.889052 7.437009 9.560354 9.832486 10.133109 8.526429 7.263177 8.941847 6.903699 5.828057 5.874854 4.257335 5.936192 4.359333 5.953270 4.634575 4.933632 1.783130 0.000000 5.467071 6.450408 5.566472 2.545959 3.932107 2.070109 8.188084 7.077180 6.859229 9.248711 8.950332 6.685503 6.174071 5.584473 5.764205 4.415777 5.056612 4.364901 2.567523 3.431052 1.091050 2.108733 3.221030 7.169243 6.870406 8.937401 9.815464 10.011649 9.498165 8.436330 9.756931 7.538817 5.813521 6.784545 5.124875 4.462749 3.479214 4.719419 5.931798 5.073598 3.827367 3.862706 0.000000 6.312483 6.843254 5.218892 3.775963 4.274855 2.084343 9.010392 7.942085 7.772621 10.235518 9.526479 7.287648 6.871815 6.132647 5.918089 5.294967 5.625182 4.163787 3.247501 2.848975 1.093228 2.100466 3.201544 8.208857 7.980837 10.077944 10.788367 10.956661 10.070644 8.841396 10.315657 7.965566 5.996710 6.815462 5.043913 5.399164 4.257878 5.837019 6.271030 5.780984 3.227168 2.818168 1.760677 0.000000 7.216591 7.060831 6.745134 5.719540 6.093051 4.496098 8.120041 6.716579 7.401316 9.262850 8.670708 5.680906 7.101148 4.356838 3.636388 3.927618 7.288142 5.889212 5.312441 4.760246 3.732984 2.268531 1.066235 6.746378 7.792805 9.105770 10.141467 9.612111 9.570638 8.058336 9.071145 6.199692 2.946798 4.504977 3.348119 3.343813 3.615186 4.897994 7.947582 7.857402 4.032336 5.313365 4.246644 4.227110 0.000000 C17H22N2O4 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 296.1928999999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;5;6;1;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.8208,-1.8463,-.9539;-1.4181,-1.1467,1.1097;1.2613,-1.9925,2.334;2.0482,-1.147,-2.1163;1.3594,-1.7693,.0253;3.1634,-.4751,-.1913;-3.8946,.2104,-.2107;-2.7739,1.1485,-.5308;-2.6228,-.3742,-.833;-5.0944,.2206,-1.1428;-4.2677,-.0867,1.2288;-1.9412,1.8187,.5074;-1.6141,-1.1339,-.0891;-.6583,2.1687,.3378;.1291,2.8513,1.424;.1121,1.8865,-.9235;.2568,-2.6065,-.386;1.7521,-1.5224,1.3253;2.1976,-1.1046,-.9035;2.9249,-.573,1.241;4.1151,.465,-.7736;3.7936,1.8628,-.4767;3.5234,3.0033,-.2091;-2.8911,1.7094,-1.454;-2.6792,-.6391,-1.8807;-4.8038,.4335,-2.1746;-5.6055,-.747,-1.1227;-5.8083,.9872,-.825;-4.7261,-1.0775,1.3017;-3.4178,-.0573,1.9062;-5.0048,.6485,1.5672;-2.4202,2.0334,1.4592;.5302,3.8086,1.0714;-.4754,3.0352,2.3152;.9937,2.2397,1.7093;.4767,2.8205,-1.3662;1.0018,1.2955,-.6914;-.4703,1.3515,-1.6731;-.0777,-3.1764,.4779;.5793,-3.2664,-1.1865;2.644,.3923,1.6753;3.7863,-.9729,1.7793;4.1268,.2993,-1.852;5.1138,.2311,-.3956;3.2754,4.0147,.0202; 0.4089880 0.1921278 0.1635944 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= 638 RedAO= T EigKep= 1.30D-06 NBF= 638 NBsUse= 638 1.00D-06 EigRej= -1.00D+00 NBFU= 638 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= 658 658 658 658 658 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1071.77541289089 -1071.77541289 1 1.067274633866e+03 -6.629169549503e+03 2.425520262794e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323734244 LenY= 11323296662 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. PT412S Sat Sep 7 18:51:03 2024 -19.17796 -19.13072 -19.12215 -19.12180 -14.38304 -14.36965 -10.32870 -10.31394 -10.31196 -10.27603 -10.24108 -10.22832 -10.19669 -10.18786 -10.18766 -10.18543 -10.17627 -10.17444 -10.15877 -10.15610 -10.15496 -10.15357 -10.15310 -1.12108 -1.09647 -1.07118 -1.03449 -1.00039 -0.94520 -0.88340 -0.81015 -0.80616 -0.76717 -0.74996 -0.73253 -0.71894 -0.69645 -0.68734 -0.68610 -0.65312 -0.64247 -0.60310 -0.56912 -0.55210 -0.54879 -0.53817 -0.52734 -0.51735 -0.50495 -0.49858 -0.49151 -0.48456 -0.47873 -0.46989 -0.46694 -0.45418 -0.45367 -0.44752 -0.44037 -0.43497 -0.43112 -0.42615 -0.42165 -0.41141 -0.40379 -0.40072 -0.38554 -0.38103 -0.37764 -0.37515 -0.36706 -0.36239 -0.35035 -0.34030 -0.32965 -0.31704 -0.31107 -0.30129 -0.29712 -0.29344 -0.29021 -0.28875 -0.28500 -0.27329 -0.23410 -0.03211 -0.02375 0.00038 0.00667 0.01019 0.01134 0.01846 0.02161 0.02510 0.02825 0.03095 0.03598 0.03673 0.04367 0.04710 0.04977 0.05323 0.05628 0.05855 0.06356 0.06631 0.06786 0.07006 0.07584 0.07779 0.08217 0.08614 0.09041 0.09575 0.10113 0.10550 0.10815 0.11063 0.11241 0.11305 0.11823 0.12351 0.12496 0.12643 0.12988 0.13289 0.13738 0.14014 0.14447 0.14616 0.14870 0.15249 0.15613 0.15715 0.15990 0.16283 0.16426 0.16949 0.17112 0.17280 0.17554 0.17684 0.18195 0.18494 0.18747 0.18907 0.19102 0.19348 0.19866 0.19928 0.20135 0.20464 0.20566 0.20819 0.21305 0.21437 0.21783 0.21921 0.22356 0.22594 0.22645 0.22998 0.23214 0.23438 0.23516 0.23985 0.24200 0.24488 0.24811 0.25000 0.25368 0.25605 0.25969 0.26126 0.26420 0.26640 0.27152 0.27230 0.27487 0.27657 0.28004 0.28354 0.28773 0.29218 0.29810 0.29967 0.30294 0.30418 0.30702 0.30895 0.31699 0.31909 0.31997 0.32295 0.32475 0.33186 0.33340 0.33722 0.33902 0.34399 0.34947 0.35474 0.35827 0.36041 0.36516 0.36789 0.37432 0.37958 0.38307 0.38804 0.39388 0.40120 0.40346 0.40958 0.41537 0.42102 0.42627 0.43510 0.43952 0.44251 0.44802 0.45037 0.45128 0.45735 0.46887 0.47298 0.48320 0.48499 0.49483 0.50033 0.50764 0.51310 0.52053 0.52807 0.53836 0.54905 0.55397 0.56256 0.56414 0.57161 0.57646 0.58099 0.58602 0.59494 0.59902 0.60079 0.60619 0.61461 0.61735 0.61947 0.62597 0.63427 0.64546 0.65108 0.65931 0.66021 0.66785 0.66822 0.67117 0.67370 0.67808 0.68445 0.68893 0.69140 0.69675 0.69809 0.69948 0.70744 0.71101 0.71574 0.71808 0.72548 0.72603 0.72876 0.73106 0.73773 0.73967 0.74394 0.75123 0.75579 0.76174 0.76733 0.77138 0.77849 0.78160 0.78347 0.79048 0.80012 0.80401 0.80799 0.81283 0.82123 0.82901 0.83399 0.84648 0.86315 0.87027 0.87596 0.90268 0.90784 0.91028 0.92217 0.93199 0.94174 0.95491 0.95813 0.96378 0.96809 0.98919 0.99604 1.00271 1.01516 1.02188 1.02869 1.04210 1.04576 1.05647 1.06605 1.08832 1.09215 1.09995 1.10944 1.11400 1.11681 1.13309 1.14008 1.15052 1.16559 1.17135 1.18157 1.19324 1.20092 1.20893 1.21965 1.22523 1.24129 1.25099 1.25473 1.26126 1.26925 1.27375 1.28906 1.29221 1.29517 1.30303 1.30968 1.31691 1.32729 1.33928 1.35269 1.35635 1.37589 1.38061 1.39566 1.40390 1.42076 1.42316 1.42617 1.43098 1.44942 1.45766 1.45853 1.46861 1.47180 1.48172 1.48355 1.49805 1.50465 1.51096 1.51148 1.52246 1.53657 1.54202 1.55166 1.55483 1.56754 1.58063 1.58154 1.58646 1.59912 1.60365 1.61460 1.61960 1.62313 1.62709 1.62933 1.63618 1.64711 1.65362 1.65553 1.66481 1.66842 1.67081 1.67390 1.68180 1.68870 1.69687 1.70541 1.71149 1.71986 1.72340 1.73461 1.74034 1.74903 1.75145 1.76239 1.76989 1.78621 1.78836 1.79552 1.80170 1.80505 1.81127 1.82935 1.83004 1.83604 1.84221 1.84938 1.86467 1.87296 1.88920 1.89651 1.90273 1.91421 1.91691 1.92590 1.93369 1.96089 1.97079 1.97481 1.98065 1.98821 2.00054 2.00830 2.01793 2.02215 2.04489 2.05573 2.06105 2.07471 2.07766 2.08006 2.09065 2.11176 2.12190 2.13173 2.14507 2.15224 2.16332 2.17029 2.18226 2.19569 2.20496 2.21578 2.22098 2.24467 2.25730 2.26483 2.27445 2.30457 2.34569 2.35892 2.36285 2.38454 2.40439 2.42781 2.43083 2.43652 2.45687 2.46367 2.47254 2.48020 2.48972 2.49475 2.52236 2.52405 2.52857 2.53460 2.53631 2.54265 2.54561 2.55605 2.56121 2.56540 2.57078 2.57712 2.58446 2.59566 2.60027 2.61793 2.63823 2.64503 2.65129 2.65819 2.66672 2.67340 2.67609 2.67975 2.70227 2.71095 2.72063 2.73594 2.74514 2.74952 2.75576 2.76879 2.77232 2.78015 2.79548 2.80402 2.81665 2.82501 2.83187 2.84129 2.84548 2.85922 2.86318 2.88121 2.89146 2.89588 2.90385 2.91074 2.91623 2.92291 2.93127 2.93476 2.94539 2.95711 2.96418 2.97102 2.97884 2.99715 3.00328 3.01137 3.01635 3.02837 3.03497 3.05101 3.06212 3.07504 3.09028 3.10948 3.13233 3.15767 3.16832 3.17756 3.19564 3.21600 3.23308 3.24023 3.25991 3.26974 3.32554 3.33997 3.34701 3.36603 3.37710 3.39023 3.41431 3.47809 3.48644 3.50948 3.53606 3.54657 3.55279 3.58860 3.60494 3.61391 3.63088 3.69378 3.70601 3.73239 3.77415 3.77909 3.78366 3.80158 3.82819 3.83883 3.84958 3.85071 3.85811 3.86123 3.86431 3.89577 3.92340 3.96149 3.98038 4.01406 4.07294 4.08906 4.11756 4.14709 4.15656 4.16788 4.27929 4.31029 4.34117 4.56596 4.61452 4.69132 4.89539 4.94654 5.08136 5.09411 5.10852 5.11095 5.15610 5.23123 5.31021 5.35861 5.41338 5.65615 5.76570 5.85041 5.91033 23.57379 23.72968 23.82348 23.83306 23.85791 23.86981 23.87171 23.88383 23.90731 23.91714 23.96233 23.98229 24.00220 24.01341 24.03453 24.27474 25.13376 35.50117 35.59938 49.92686 50.00473 50.04092 50.06226 1-A. Mulliken charges: 1 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 O O O O N N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H -0.002818 -0.292840 -0.426450 -0.448668 0.045365 0.103173 0.039443 0.215325 0.154202 -0.295011 -0.687828 -0.501678 -0.532257 0.758185 -0.696234 -0.949650 -0.016004 0.190060 -0.020382 -0.298201 -0.671231 1.440724 -1.238962 0.198855 0.196086 0.157243 0.163273 0.163991 0.162980 0.155416 0.160736 0.153061 0.168813 0.154142 0.156225 0.174226 0.174400 0.167776 0.220672 0.235462 0.247673 0.239479 0.234024 0.234948 0.212255 -0.00000 2.8222 3.1184 -1.2677 4.3928 -106.3015 -129.5459 -157.6351 0.0801 11.4656 6.9206 24.8593 1.6149 -26.4743 0.0801 11.4656 6.9206 52.9132 -16.9202 -9.1125 17.0346 -18.2072 7.1530 -21.2835 32.5034 -11.0443 -0.3435 -5657.5548 -2131.8416 -1299.1292 -135.8520 53.5873 92.8304 63.4593 39.0350 42.3094 -1454.5139 -1234.3224 -666.6193 -7.6606 5.9287 8.7194 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GASCONES ALCAMI 2024-09-07T00:00:00.000 0 Wavefunction Imiprothrin_RS CONF3 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1071.7754129 RMSD=3.609e-09 Dipole=-1.014233,-1.3007203,-0.5160453 Quadrupole=19.6760353,0.4709529,-20.1469882,0.8936454,-4.6953766,-6.7000809 PG=C01 [X(C17H22N2O4)] 0 0.889660788 1.7392139293 -1.0299810134 0 1.3155368112 1.1949367247 1.1210792027 0 -1.4953002653 2.0031777024 2.037524468 0 -1.8310603821 0.8499896414 -2.400618929 0 -1.3685652966 1.6326440035 -0.250781608 0 -3.0970217288 0.2534640564 -0.5453114731 0 3.9517252567 -0.1375025973 0.1243765863 0 2.9001114939 -1.1395831268 -0.2340549673 0 2.7237720315 0.3537992028 -0.6485017893 0 5.2331087928 -0.1557977059 -0.6916854485 0 4.1774691473 0.2639937102 1.569254975 0 1.9982403437 -1.7778516691 0.7657266398 0 1.6233084543 1.1156419918 -0.0513383809 0 0.7501239813 -2.1908388094 0.5032055929 0 -0.1107248244 -2.8365728073 1.5557185525 0 0.091774359 -2.0200556403 -0.8389237098 0 -0.2628683898 2.4877907887 -0.6140629408 0 -1.8723122114 1.4510925747 1.0213920087 0 -2.0918532778 0.877112203 -1.2063215276 0 -2.99737297 0.4502830465 0.8932733046 0 -3.9558240962 -0.7598707156 -1.148790231 0 -3.6139296165 -2.1217816464 -0.7323475313 0 -3.3294304267 -3.2312506717 -0.3666519444 0 3.1232558053 -1.7514954781 -1.1037692399 0 2.8685586276 0.5549981326 -1.7018041471 0 5.0482626441 -0.4444377955 -1.7293625884 0 5.7052374653 0.8315976201 -0.6888163713 0 5.9409787978 -0.8707351577 -0.2602442489 0 4.5913455294 1.275658931 1.6182144931 0 3.2694079025 0.2414576466 2.1666958859 0 4.9052991615 -0.41735704 2.0211178636 0 2.3932980204 -1.9126731945 1.7692729538 0 -0.4426061912 -3.8298805252 1.2318657712 0 0.4138011399 -2.9392674189 2.5084604869 0 -1.019443711 -2.2449553631 1.7200186061 0 -0.1961444759 -2.9942064655 -1.2505371372 0 -0.8362704259 -1.453293946 -0.7284042781 0 0.7224394411 -1.5090365886 -1.5659015956 0 -0.0313105343 3.1237937322 0.2373402535 0 -0.5322571213 3.0825024497 -1.4823664361 0 -2.7241671874 -0.4735243676 1.4139632758 0 -3.9191794012 0.8468007851 1.3231857569 0 -3.8723205013 -0.6622331476 -2.2322497313 0 -4.9932965342 -0.5445662271 -0.879640571 0 -3.0680913548 -4.215124074 -0.0495522238 Gaussian 16 7-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 129 C1[X(C17H22N2O4)] 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 0 0 0 0 0 0 296.1928999999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;5;6;1;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.8897,1.7392,-1.03;1.3155,1.1949,1.1211;-1.4953,2.0032,2.0375;-1.8311,.85,-2.4006;-1.3686,1.6326,-.2508;-3.097,.2535,-.5453;3.9517,-.1375,.1244;2.9001,-1.1396,-.2341;2.7238,.3538,-.6485;5.2331,-.1558,-.6917;4.1775,.264,1.5693;1.9982,-1.7779,.7657;1.6233,1.1156,-.0513;.7501,-2.1908,.5032;-.1107,-2.8366,1.5557;.0918,-2.0201,-.8389;-.2629,2.4878,-.6141;-1.8723,1.4511,1.0214;-2.0919,.8771,-1.2063;-2.9974,.4503,.8933;-3.9558,-.7599,-1.1488;-3.6139,-2.1218,-.7323;-3.3294,-3.2313,-.3667;3.1233,-1.7515,-1.1038;2.8686,.555,-1.7018;5.0483,-.4444,-1.7294;5.7052,.8316,-.6888;5.941,-.8707,-.2602;4.5913,1.2757,1.6182;3.2694,.2415,2.1667;4.9053,-.4174,2.0211;2.3933,-1.9127,1.7693;-.4426,-3.8299,1.2319;.4138,-2.9393,2.5085;-1.0194,-2.245,1.72;-.1961,-2.9942,-1.2505;-.8363,-1.4533,-.7284;.7224,-1.509,-1.5659;-.0313,3.1238,.2373;-.5323,3.0825,-1.4824;-2.7242,-.4735,1.414;-3.9192,.8468,1.3232;-3.8723,-.6622,-2.2323;-4.9933,-.5446,-.8796;-3.0681,-4.2151,-.0496; oldchk=opt-b3lyp-pople.chk #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 Imiprothrin_RS CONF3 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 40 41 42 43 44 45 16 16 16 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 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 661 A 638 A 638 1004 661 85 85 2064.6389968249 45 45 45 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 -0.0554154605 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.259351 0.000000 3.894523 3.064952 0.000000 3.173593 4.735232 4.597792 0.000000 2.391254 3.045980 2.321573 2.334149 0.000000 4.282055 4.809771 3.506858 2.323933 2.230795 0.000000 3.772379 3.117419 6.157332 6.386811 5.619578 7.091274 0.000000 3.600400 3.130056 5.861456 5.571031 5.089904 6.164663 1.496172 0.000000 2.329992 2.412894 5.266475 4.905366 4.305909 5.822573 1.531858 1.559825 0.000000 4.750900 4.523049 7.575041 7.337203 6.853833 8.341462 1.519288 2.572962 2.560923 0.000000 4.443195 3.042725 5.951836 7.225352 5.995351 7.575600 1.516520 2.617938 2.653252 2.530307 0.000000 4.101617 3.070803 5.302686 5.620929 4.898995 5.639748 2.630243 1.490074 2.659017 3.901216 3.092544 0.000000 1.372888 1.214732 3.857044 4.185971 3.042758 4.823782 2.650051 2.598009 1.465615 3.880369 3.142509 3.029930 0.000000 4.220835 3.487827 4.998584 4.933695 4.435805 4.677022 3.822297 2.504224 3.420073 5.066193 4.348489 1.340623 3.464504 0.000000 5.350181 4.298395 5.056913 5.674760 4.981918 4.783370 5.083033 3.892069 4.803273 6.387013 5.291720 2.488516 4.605378 1.505263 0.000000 3.847757 3.959215 5.194147 3.791220 3.977527 3.927279 4.401270 3.004639 3.549487 5.470873 5.263944 2.503633 3.577497 1.504627 2.538113 0.000000 1.435855 2.678349 2.963892 2.886763 1.444235 3.609622 5.019986 4.827700 3.670848 6.099209 5.424827 5.021169 2.399399 4.915691 5.751517 4.527363 0.000000 3.452483 3.199677 1.216331 3.474649 1.380271 2.321376 6.103088 5.573489 5.011645 7.483565 6.189444 5.047041 3.671872 4.517671 4.666130 4.400827 2.517889 0.000000 3.108656 4.138613 3.485174 1.222741 1.416697 1.355077 6.270968 5.471021 4.875989 7.415310 6.883614 5.259912 3.897860 4.517924 5.034401 3.646477 2.508035 2.310922 0.000000 4.524299 4.382647 2.444793 3.517069 2.315136 1.455402 7.016171 6.211189 5.926034 8.403586 7.209023 5.471472 4.762950 4.601240 4.424364 4.318091 3.728407 1.511223 2.326037 0.000000 5.453280 6.063071 4.882747 2.945055 3.636544 1.458964 8.033532 6.927104 6.790254 9.220105 8.636349 6.336603 5.987376 5.188710 5.139246 4.250545 4.946833 3.733507 2.481413 2.559907 0.000000 5.939545 6.223781 5.401488 3.846190 4.401054 2.438026 7.868321 6.606492 6.804557 9.062937 8.467301 5.818846 6.194622 4.536113 4.244834 3.708632 5.700154 4.344452 3.396282 3.104561 1.464622 0.000000 6.553339 6.586365 6.045109 4.799860 5.245559 3.497023 7.926387 6.572659 7.040830 9.103908 8.504000 5.637262 6.597312 4.299055 3.769794 3.659874 6.494032 5.096489 4.372103 3.905300 2.666801 1.202329 0.000000 4.144809 4.110871 6.730257 5.744109 5.688273 6.559237 2.190816 1.086569 2.190690 2.677227 3.509789 2.182056 3.402636 2.899508 4.325378 3.054856 5.447678 6.303061 5.841015 6.804271 7.148337 6.757569 6.661094 0.000000 2.402030 3.284824 5.926472 4.760439 4.606518 6.084123 2.233326 2.242072 1.082077 2.667708 3.535217 3.505474 2.142197 4.109678 5.566897 3.884069 3.837278 5.540274 4.995493 6.415181 6.971865 7.080088 7.384672 2.396337 0.000000 4.748836 4.974516 7.937158 7.032156 6.904792 8.260430 2.175535 2.708085 2.684902 1.092820 3.484399 4.160060 4.120671 5.148619 6.567284 5.276574 6.168466 7.684663 7.280201 8.509465 9.028297 8.879251 8.933591 2.409444 2.398070 0.000000 4.912223 4.762059 7.788021 7.728285 7.132477 8.822392 2.162231 3.458481 3.019777 1.094469 2.784805 4.760961 4.141160 5.925301 7.233176 6.298049 6.194098 7.792807 7.814378 8.853465 9.802064 9.776053 9.911395 3.675756 3.024797 1.772743 0.000000 5.737608 5.250692 8.296828 8.242978 7.726347 9.112110 2.154691 3.052841 3.464195 1.094695 2.782920 4.173807 4.757269 5.410222 6.617050 5.989073 7.063470 8.251121 8.275048 9.108777 9.937229 9.648019 9.566809 3.070315 3.681111 1.771152 1.771210 0.000000 4.574964 3.314300 6.144295 7.588117 6.256287 8.052125 2.153530 3.482035 3.078256 2.792233 1.094147 4.095712 3.409143 5.292904 6.246905 6.094703 5.478660 6.493523 7.266498 7.667818 9.211612 9.186636 9.326876 4.327603 3.809182 3.791277 2.600065 3.155491 0.000000 4.257372 2.412478 5.081613 6.873533 5.412060 6.920011 2.186375 2.794147 2.869787 3.490598 1.087207 2.766982 2.897157 3.876862 4.612251 4.923977 5.025496 5.404833 6.365880 6.398262 8.012433 7.833881 7.875419 3.832645 3.901830 4.337516 3.799405 3.776811 1.765764 0.000000 5.485012 4.036825 6.843021 8.156989 6.980359 8.430522 2.141319 3.102933 3.532791 2.745027 1.094603 3.446439 4.173323 4.766002 5.588354 5.823959 6.487990 7.101167 7.813588 8.029761 9.417279 9.113940 9.023869 3.836733 4.353612 3.753302 3.089261 2.546134 1.768389 1.769568 0.000000 4.840767 3.352456 5.525128 6.547176 5.549911 6.339800 2.878474 2.206321 3.330427 4.148187 2.821551 1.086900 3.616380 2.092922 2.677560 3.480120 5.665650 5.483582 6.062479 5.950653 7.082048 6.510654 6.249035 2.968701 4.285283 4.630875 4.954005 4.217892 3.875525 2.359193 2.934203 0.000000 6.156760 5.324672 5.981791 6.084730 5.735400 5.184398 5.845540 4.534356 5.573590 7.029415 6.182130 3.222707 5.511153 2.154068 1.096214 2.801642 6.584279 5.475129 5.551626 4.996126 5.237861 4.102807 3.353710 4.742388 6.228755 7.097868 7.950747 7.192572 7.180283 5.588269 6.392834 3.465089 0.000000 5.885168 4.453044 5.319230 6.595220 5.629620 5.643132 5.103984 4.116065 5.113381 6.419841 5.030724 2.626110 4.945480 2.166635 1.092424 3.486206 6.297698 5.168457 5.885802 5.072868 6.100728 5.233902 4.728986 4.669063 5.996837 6.757333 7.241637 6.518761 6.000835 4.288159 5.174079 2.349192 1.776603 0.000000 5.203920 4.200443 4.286477 5.216997 4.363681 3.961079 5.630271 4.516986 5.135667 7.019637 5.772821 3.199262 4.627684 2.148239 1.096711 2.798852 5.330969 3.856972 4.411444 3.443838 4.365532 3.572202 3.265427 5.037781 5.887714 7.208131 7.777468 7.365963 6.624654 4.977551 6.207524 3.429234 1.755854 1.777048 0.000000 4.861367 5.045658 6.121520 4.332838 4.876661 4.411326 5.220725 3.749622 4.483024 6.151883 6.139674 3.218721 4.651811 2.148590 2.811977 1.096035 5.519225 5.266107 4.310774 4.930245 4.374677 3.565235 3.264188 3.547434 4.710934 5.851017 7.055396 6.569177 7.027201 5.844404 6.585485 4.122400 2.630859 3.808558 3.172286 0.000000 3.641688 3.881236 4.475699 3.015133 3.167724 2.838581 5.038199 3.781976 3.993228 6.206626 5.776322 3.220593 3.620411 2.139505 2.767145 1.093024 3.984220 3.545509 2.689923 3.305118 3.223224 2.856971 3.083479 3.988442 4.325101 6.053713 6.929186 6.818332 6.512512 5.301923 6.449702 4.108471 3.105768 3.774664 2.579739 1.748369 0.000000 3.296408 3.857862 5.498972 3.575209 3.996498 4.328544 3.894410 2.579257 2.883940 4.789744 4.990999 2.671408 3.161393 2.178721 3.492997 1.089668 4.225099 4.710540 3.707189 4.870675 4.756194 4.458067 4.563099 2.456883 2.980694 4.457896 5.574596 5.417132 5.732500 4.845984 5.617365 3.752077 3.817218 4.329116 3.791175 1.774537 1.770335 0.000000 2.090778 2.513062 2.576763 3.920219 2.061563 4.271993 5.149115 5.195366 4.006004 6.271596 5.259874 5.331454 2.617971 5.378349 6.104949 5.256680 1.087661 2.608056 3.373066 4.046657 5.692628 6.425847 7.185332 5.959724 4.332232 6.511702 6.246592 7.202228 5.166369 4.788008 6.331803 5.795821 7.036464 6.489747 5.656696 6.298482 4.746615 5.028214 0.000000 2.007717 3.708797 3.805526 2.741202 2.078052 3.931863 5.749448 5.582602 4.329305 6.659670 6.279961 5.922869 3.250053 5.778852 6.666566 5.180688 1.086372 3.275065 2.715196 4.318453 5.157123 6.094572 6.995175 6.072367 4.242874 6.606248 6.678520 7.682737 6.255365 5.986639 7.354620 6.639564 7.426717 7.285838 6.234936 6.090411 4.608072 4.760617 1.791659 0.000000 4.891710 4.380497 2.834254 4.135259 3.007487 2.122802 6.807605 5.898484 5.883729 8.237290 6.942668 4.941924 4.855214 3.981124 3.526212 3.923874 4.352042 2.141009 3.014951 1.095071 2.857740 2.848698 3.337962 6.493423 6.484169 8.384033 8.785209 8.834337 7.524499 6.082824 7.653793 5.327837 4.062488 4.138195 2.477442 4.454694 3.018914 4.672363 4.645064 5.083161 0.000000 5.427591 5.250171 2.778971 4.269306 3.098476 2.125858 8.022290 7.271413 6.946899 9.424929 8.121326 6.497339 5.716709 5.630454 5.303361 5.383431 4.451336 2.155438 3.120648 1.091686 2.948457 3.623655 4.453522 7.889052 7.437009 9.560354 9.832486 10.133109 8.526429 7.263177 8.941847 6.903699 5.828057 5.874854 4.257335 5.936192 4.359333 5.953270 4.634575 4.933632 1.783130 0.000000 5.467071 6.450408 5.566472 2.545959 3.932107 2.070109 8.188084 7.077180 6.859229 9.248711 8.950332 6.685503 6.174071 5.584473 5.764205 4.415777 5.056612 4.364901 2.567523 3.431052 1.091050 2.108733 3.221030 7.169243 6.870406 8.937401 9.815464 10.011649 9.498165 8.436330 9.756931 7.538817 5.813521 6.784545 5.124875 4.462749 3.479214 4.719419 5.931798 5.073598 3.827367 3.862706 0.000000 6.312483 6.843254 5.218892 3.775963 4.274855 2.084343 9.010392 7.942085 7.772621 10.235518 9.526479 7.287648 6.871815 6.132647 5.918089 5.294967 5.625182 4.163787 3.247501 2.848975 1.093228 2.100466 3.201544 8.208857 7.980837 10.077944 10.788367 10.956661 10.070644 8.841396 10.315657 7.965566 5.996710 6.815462 5.043913 5.399164 4.257878 5.837019 6.271030 5.780984 3.227168 2.818168 1.760677 0.000000 7.216591 7.060831 6.745134 5.719540 6.093051 4.496098 8.120041 6.716579 7.401316 9.262850 8.670708 5.680906 7.101148 4.356838 3.636388 3.927618 7.288142 5.889212 5.312441 4.760246 3.732984 2.268531 1.066235 6.746378 7.792805 9.105770 10.141467 9.612111 9.570638 8.058336 9.071145 6.199692 2.946798 4.504977 3.348119 3.343813 3.615186 4.897994 7.947582 7.857402 4.032336 5.313365 4.246644 4.227110 0.000000 C17H22N2O4 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 296.1928999999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;5;6;1;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.8208,-1.8463,-.9539;-1.4181,-1.1467,1.1097;1.2613,-1.9925,2.334;2.0482,-1.147,-2.1163;1.3594,-1.7693,.0253;3.1634,-.4751,-.1913;-3.8946,.2104,-.2107;-2.7739,1.1485,-.5308;-2.6228,-.3742,-.833;-5.0944,.2206,-1.1428;-4.2677,-.0867,1.2288;-1.9412,1.8187,.5074;-1.6141,-1.1339,-.0891;-.6583,2.1687,.3378;.1291,2.8513,1.424;.1121,1.8865,-.9235;.2568,-2.6065,-.386;1.7521,-1.5224,1.3253;2.1976,-1.1046,-.9035;2.9249,-.573,1.241;4.1151,.465,-.7736;3.7936,1.8628,-.4767;3.5234,3.0033,-.2091;-2.8911,1.7094,-1.454;-2.6792,-.6391,-1.8807;-4.8038,.4335,-2.1746;-5.6055,-.747,-1.1227;-5.8083,.9872,-.825;-4.7261,-1.0775,1.3017;-3.4178,-.0573,1.9062;-5.0048,.6485,1.5672;-2.4202,2.0334,1.4592;.5302,3.8086,1.0714;-.4754,3.0352,2.3152;.9937,2.2397,1.7093;.4767,2.8205,-1.3662;1.0018,1.2955,-.6914;-.4703,1.3515,-1.6731;-.0777,-3.1764,.4779;.5793,-3.2664,-1.1865;2.644,.3923,1.6753;3.7863,-.9729,1.7793;4.1268,.2993,-1.852;5.1138,.2311,-.3956;3.2754,4.0147,.0202; 0.4089880 0.1921278 0.1635944 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= 638 RedAO= T EigKep= 1.30D-06 NBF= 638 NBsUse= 638 1.00D-06 EigRej= -1.00D+00 NBFU= 638 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= 658 658 658 658 658 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1071.77541289089 -1071.77541289 1 1.067274633866e+03 -6.629169549503e+03 2.425520262794e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323734244 LenY= 11323296662 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 4.8793 254.10 0.0329 0.000 85 86 0.65061 85 87 0.26344 -1071.59610164 2 Singlet-A 4.9733 249.30 0.0570 0.000 85 86 -0.27243 85 87 0.64123 3 Singlet-A 5.5111 224.97 0.0004 0.000 76 86 -0.10773 78 86 -0.30206 80 86 -0.19956 81 86 0.50801 82 86 -0.20788 83 86 -0.11119 4 Singlet-A 5.7171 216.87 0.0023 0.000 78 87 0.12616 79 87 -0.16625 80 86 0.11268 80 87 0.39482 81 87 0.30247 83 87 -0.24873 84 86 0.24168 84 87 0.12420 5 Singlet-A 5.7400 216.00 0.0197 0.000 80 87 -0.12231 81 87 -0.10276 84 86 0.51042 85 88 -0.37079 85 89 -0.14612 85 91 -0.11023 6 Singlet-A 5.7539 215.48 0.0474 0.000 84 86 0.40465 85 88 0.49732 85 89 0.17210 85 91 0.15485 7 Singlet-A 5.9342 208.93 0.0122 0.000 85 88 -0.26150 85 89 0.61641 85 90 -0.16998 8 Singlet-A 6.0785 203.97 0.1261 0.000 80 87 0.13160 83 87 0.21038 84 87 -0.25040 85 89 -0.21049 85 90 -0.21417 85 91 0.48031 9 Singlet-A 6.1157 202.73 0.0408 0.000 83 87 0.22612 84 87 -0.21962 85 89 0.12564 85 90 0.56477 10 Singlet-A 6.1207 202.56 0.0036 0.000 80 87 -0.13635 81 87 -0.12757 83 86 -0.10893 83 87 -0.25232 84 87 0.29924 85 88 -0.13327 85 90 0.26973 85 91 0.42553 PT21301S Sat Sep 7 19:35:36 2024 -19.17796 -19.13072 -19.12215 -19.12180 -14.38304 -14.36965 -10.32870 -10.31394 -10.31196 -10.27603 -10.24108 -10.22832 -10.19669 -10.18786 -10.18766 -10.18543 -10.17627 -10.17444 -10.15877 -10.15610 -10.15496 -10.15357 -10.15310 -1.12108 -1.09647 -1.07118 -1.03449 -1.00039 -0.94520 -0.88340 -0.81015 -0.80616 -0.76717 -0.74996 -0.73253 -0.71894 -0.69645 -0.68734 -0.68610 -0.65312 -0.64247 -0.60310 -0.56912 -0.55210 -0.54879 -0.53817 -0.52734 -0.51735 -0.50495 -0.49858 -0.49151 -0.48456 -0.47873 -0.46989 -0.46694 -0.45418 -0.45367 -0.44752 -0.44037 -0.43497 -0.43112 -0.42615 -0.42165 -0.41141 -0.40379 -0.40072 -0.38554 -0.38103 -0.37764 -0.37515 -0.36706 -0.36239 -0.35035 -0.34030 -0.32965 -0.31704 -0.31107 -0.30129 -0.29712 -0.29344 -0.29021 -0.28875 -0.28500 -0.27329 -0.23410 -0.03211 -0.02375 0.00038 0.00667 0.01019 0.01134 0.01846 0.02161 0.02510 0.02825 0.03095 0.03598 0.03673 0.04367 0.04710 0.04977 0.05323 0.05628 0.05855 0.06356 0.06631 0.06786 0.07006 0.07584 0.07779 0.08217 0.08614 0.09041 0.09575 0.10113 0.10550 0.10815 0.11063 0.11241 0.11305 0.11823 0.12351 0.12496 0.12643 0.12988 0.13289 0.13738 0.14014 0.14447 0.14616 0.14870 0.15249 0.15613 0.15715 0.15990 0.16283 0.16426 0.16949 0.17112 0.17280 0.17554 0.17684 0.18195 0.18494 0.18747 0.18907 0.19102 0.19348 0.19866 0.19928 0.20135 0.20464 0.20566 0.20819 0.21305 0.21437 0.21783 0.21921 0.22356 0.22594 0.22645 0.22998 0.23214 0.23438 0.23516 0.23985 0.24200 0.24488 0.24811 0.25000 0.25368 0.25605 0.25969 0.26126 0.26420 0.26640 0.27152 0.27230 0.27487 0.27657 0.28004 0.28354 0.28773 0.29218 0.29810 0.29967 0.30294 0.30418 0.30702 0.30895 0.31699 0.31909 0.31997 0.32295 0.32475 0.33186 0.33340 0.33722 0.33902 0.34399 0.34947 0.35474 0.35827 0.36041 0.36516 0.36789 0.37432 0.37958 0.38307 0.38804 0.39388 0.40120 0.40346 0.40958 0.41537 0.42102 0.42627 0.43510 0.43952 0.44251 0.44802 0.45037 0.45128 0.45735 0.46887 0.47298 0.48320 0.48499 0.49483 0.50033 0.50764 0.51310 0.52053 0.52807 0.53836 0.54905 0.55397 0.56256 0.56414 0.57161 0.57646 0.58099 0.58602 0.59494 0.59902 0.60079 0.60619 0.61461 0.61735 0.61947 0.62597 0.63427 0.64546 0.65108 0.65931 0.66021 0.66785 0.66822 0.67117 0.67370 0.67808 0.68445 0.68893 0.69140 0.69675 0.69809 0.69948 0.70744 0.71101 0.71574 0.71808 0.72548 0.72603 0.72876 0.73106 0.73773 0.73967 0.74394 0.75123 0.75579 0.76174 0.76733 0.77138 0.77849 0.78160 0.78347 0.79048 0.80012 0.80401 0.80799 0.81283 0.82123 0.82901 0.83399 0.84648 0.86315 0.87027 0.87596 0.90268 0.90784 0.91028 0.92217 0.93199 0.94174 0.95491 0.95813 0.96378 0.96809 0.98919 0.99604 1.00271 1.01516 1.02188 1.02869 1.04210 1.04576 1.05647 1.06605 1.08832 1.09215 1.09995 1.10944 1.11400 1.11681 1.13309 1.14008 1.15052 1.16559 1.17135 1.18157 1.19324 1.20092 1.20893 1.21965 1.22523 1.24129 1.25099 1.25473 1.26126 1.26925 1.27375 1.28906 1.29221 1.29517 1.30303 1.30968 1.31691 1.32729 1.33928 1.35269 1.35635 1.37589 1.38061 1.39566 1.40390 1.42076 1.42316 1.42617 1.43098 1.44942 1.45766 1.45853 1.46861 1.47180 1.48172 1.48355 1.49805 1.50465 1.51096 1.51148 1.52246 1.53657 1.54202 1.55166 1.55483 1.56754 1.58063 1.58154 1.58646 1.59912 1.60365 1.61460 1.61960 1.62313 1.62709 1.62933 1.63618 1.64711 1.65362 1.65553 1.66481 1.66842 1.67081 1.67390 1.68180 1.68870 1.69687 1.70541 1.71149 1.71986 1.72340 1.73461 1.74034 1.74903 1.75145 1.76239 1.76989 1.78621 1.78836 1.79552 1.80170 1.80505 1.81127 1.82935 1.83004 1.83604 1.84221 1.84938 1.86467 1.87296 1.88920 1.89651 1.90273 1.91421 1.91691 1.92590 1.93369 1.96089 1.97079 1.97481 1.98065 1.98821 2.00054 2.00830 2.01793 2.02215 2.04489 2.05573 2.06105 2.07471 2.07766 2.08006 2.09065 2.11176 2.12190 2.13173 2.14507 2.15224 2.16332 2.17029 2.18226 2.19569 2.20496 2.21578 2.22098 2.24467 2.25730 2.26483 2.27445 2.30457 2.34569 2.35892 2.36285 2.38454 2.40439 2.42781 2.43083 2.43652 2.45687 2.46367 2.47254 2.48020 2.48972 2.49475 2.52236 2.52405 2.52857 2.53460 2.53631 2.54265 2.54561 2.55605 2.56121 2.56540 2.57078 2.57712 2.58446 2.59566 2.60027 2.61793 2.63823 2.64503 2.65129 2.65819 2.66672 2.67340 2.67609 2.67975 2.70227 2.71095 2.72063 2.73594 2.74514 2.74952 2.75576 2.76879 2.77232 2.78015 2.79548 2.80402 2.81665 2.82501 2.83187 2.84129 2.84548 2.85922 2.86318 2.88121 2.89146 2.89588 2.90385 2.91074 2.91623 2.92291 2.93127 2.93476 2.94539 2.95711 2.96418 2.97102 2.97884 2.99715 3.00328 3.01137 3.01635 3.02837 3.03497 3.05101 3.06212 3.07504 3.09028 3.10948 3.13233 3.15767 3.16832 3.17756 3.19564 3.21600 3.23308 3.24023 3.25991 3.26974 3.32554 3.33997 3.34701 3.36603 3.37710 3.39023 3.41431 3.47809 3.48644 3.50948 3.53606 3.54657 3.55279 3.58860 3.60494 3.61391 3.63088 3.69378 3.70601 3.73239 3.77415 3.77909 3.78366 3.80158 3.82819 3.83883 3.84958 3.85071 3.85811 3.86123 3.86431 3.89577 3.92340 3.96149 3.98038 4.01406 4.07294 4.08906 4.11756 4.14709 4.15656 4.16788 4.27929 4.31029 4.34117 4.56596 4.61452 4.69132 4.89539 4.94654 5.08136 5.09411 5.10852 5.11095 5.15610 5.23123 5.31021 5.35861 5.41338 5.65615 5.76570 5.85041 5.91033 23.57379 23.72968 23.82348 23.83306 23.85791 23.86981 23.87171 23.88383 23.90731 23.91714 23.96233 23.98229 24.00220 24.01341 24.03453 24.27474 25.13376 35.50117 35.59938 49.92686 50.00473 50.04092 50.06226 1-A. Mulliken charges: 1 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 O O O O N N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H -0.002818 -0.292840 -0.426450 -0.448668 0.045365 0.103173 0.039443 0.215325 0.154202 -0.295011 -0.687828 -0.501678 -0.532257 0.758185 -0.696234 -0.949650 -0.016004 0.190060 -0.020382 -0.298201 -0.671231 1.440724 -1.238962 0.198855 0.196086 0.157243 0.163273 0.163991 0.162980 0.155416 0.160736 0.153061 0.168813 0.154142 0.156225 0.174226 0.174400 0.167776 0.220672 0.235462 0.247673 0.239479 0.234024 0.234948 0.212255 -0.00000 2.8222 3.1184 -1.2677 4.3928 -106.3015 -129.5459 -157.6351 0.0801 11.4656 6.9206 24.8593 1.6149 -26.4743 0.0801 11.4656 6.9206 52.9132 -16.9202 -9.1125 17.0346 -18.2072 7.1530 -21.2835 32.5034 -11.0443 -0.3435 -5657.5548 -2131.8416 -1299.1292 -135.8520 53.5873 92.8304 63.4593 39.0350 42.3094 -1454.5139 -1234.3224 -666.6193 -7.6606 5.9287 8.7194 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GASCONES ALCAMI 2024-09-07T00:00:00.000 0 Electronicspectrum Imiprothrin_RS CONF3 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1071.7754129 RMSD=2.942e-09 PG=C01 [X(C17H22N2O4)] 0 0.889660788 1.7392139293 -1.0299810134 0 1.3155368112 1.1949367247 1.1210792027 0 -1.4953002653 2.0031777024 2.037524468 0 -1.8310603821 0.8499896414 -2.400618929 0 -1.3685652966 1.6326440035 -0.250781608 0 -3.0970217288 0.2534640564 -0.5453114731 0 3.9517252567 -0.1375025973 0.1243765863 0 2.9001114939 -1.1395831268 -0.2340549673 0 2.7237720315 0.3537992028 -0.6485017893 0 5.2331087928 -0.1557977059 -0.6916854485 0 4.1774691473 0.2639937102 1.569254975 0 1.9982403437 -1.7778516691 0.7657266398 0 1.6233084543 1.1156419918 -0.0513383809 0 0.7501239813 -2.1908388094 0.5032055929 0 -0.1107248244 -2.8365728073 1.5557185525 0 0.091774359 -2.0200556403 -0.8389237098 0 -0.2628683898 2.4877907887 -0.6140629408 0 -1.8723122114 1.4510925747 1.0213920087 0 -2.0918532778 0.877112203 -1.2063215276 0 -2.99737297 0.4502830465 0.8932733046 0 -3.9558240962 -0.7598707156 -1.148790231 0 -3.6139296165 -2.1217816464 -0.7323475313 0 -3.3294304267 -3.2312506717 -0.3666519444 0 3.1232558053 -1.7514954781 -1.1037692399 0 2.8685586276 0.5549981326 -1.7018041471 0 5.0482626441 -0.4444377955 -1.7293625884 0 5.7052374653 0.8315976201 -0.6888163713 0 5.9409787978 -0.8707351577 -0.2602442489 0 4.5913455294 1.275658931 1.6182144931 0 3.2694079025 0.2414576466 2.1666958859 0 4.9052991615 -0.41735704 2.0211178636 0 2.3932980204 -1.9126731945 1.7692729538 0 -0.4426061912 -3.8298805252 1.2318657712 0 0.4138011399 -2.9392674189 2.5084604869 0 -1.019443711 -2.2449553631 1.7200186061 0 -0.1961444759 -2.9942064655 -1.2505371372 0 -0.8362704259 -1.453293946 -0.7284042781 0 0.7224394411 -1.5090365886 -1.5659015956 0 -0.0313105343 3.1237937322 0.2373402535 0 -0.5322571213 3.0825024497 -1.4823664361 0 -2.7241671874 -0.4735243676 1.4139632758 0 -3.9191794012 0.8468007851 1.3231857569 0 -3.8723205013 -0.6622331476 -2.2322497313 0 -4.9932965342 -0.5445662271 -0.879640571 0 -3.0680913548 -4.215124074 -0.0495522238 Gaussian 16 7-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 129 C1[X(C17H22N2O4)] 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 0 0 0 0 0 0 296.1928999999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;5;6;1;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.8897,1.7392,-1.03;1.3155,1.1949,1.1211;-1.4953,2.0032,2.0375;-1.8311,.85,-2.4006;-1.3686,1.6326,-.2508;-3.097,.2535,-.5453;3.9517,-.1375,.1244;2.9001,-1.1396,-.2341;2.7238,.3538,-.6485;5.2331,-.1558,-.6917;4.1775,.264,1.5693;1.9982,-1.7779,.7657;1.6233,1.1156,-.0513;.7501,-2.1908,.5032;-.1107,-2.8366,1.5557;.0918,-2.0201,-.8389;-.2629,2.4878,-.6141;-1.8723,1.4511,1.0214;-2.0919,.8771,-1.2063;-2.9974,.4503,.8933;-3.9558,-.7599,-1.1488;-3.6139,-2.1218,-.7323;-3.3294,-3.2313,-.3667;3.1233,-1.7515,-1.1038;2.8686,.555,-1.7018;5.0483,-.4444,-1.7294;5.7052,.8316,-.6888;5.941,-.8707,-.2602;4.5913,1.2757,1.6182;3.2694,.2415,2.1667;4.9053,-.4174,2.0211;2.3933,-1.9127,1.7693;-.4426,-3.8299,1.2319;.4138,-2.9393,2.5085;-1.0194,-2.245,1.72;-.1961,-2.9942,-1.2505;-.8363,-1.4533,-.7284;.7224,-1.509,-1.5659;-.0313,3.1238,.2373;-.5323,3.0825,-1.4824;-2.7242,-.4735,1.414;-3.9192,.8468,1.3232;-3.8723,-.6622,-2.2323;-4.9933,-.5446,-.8796;-3.0681,-4.2151,-.0496; oldchk=opt-b3lyp-pople.chk #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 Imiprothrin_RS CONF3 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 40 41 42 43 44 45 16 16 16 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 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 1233 A 1095 A 1095 1576 1233 85 85 2064.6389968249 45 45 45 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 -0.0554154605 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.259351 0.000000 3.894523 3.064952 0.000000 3.173593 4.735232 4.597792 0.000000 2.391254 3.045980 2.321573 2.334149 0.000000 4.282055 4.809771 3.506858 2.323933 2.230795 0.000000 3.772379 3.117419 6.157332 6.386811 5.619578 7.091274 0.000000 3.600400 3.130056 5.861456 5.571031 5.089904 6.164663 1.496172 0.000000 2.329992 2.412894 5.266475 4.905366 4.305909 5.822573 1.531858 1.559825 0.000000 4.750900 4.523049 7.575041 7.337203 6.853833 8.341462 1.519288 2.572962 2.560923 0.000000 4.443195 3.042725 5.951836 7.225352 5.995351 7.575600 1.516520 2.617938 2.653252 2.530307 0.000000 4.101617 3.070803 5.302686 5.620929 4.898995 5.639748 2.630243 1.490074 2.659017 3.901216 3.092544 0.000000 1.372888 1.214732 3.857044 4.185971 3.042758 4.823782 2.650051 2.598009 1.465615 3.880369 3.142509 3.029930 0.000000 4.220835 3.487827 4.998584 4.933695 4.435805 4.677022 3.822297 2.504224 3.420073 5.066193 4.348489 1.340623 3.464504 0.000000 5.350181 4.298395 5.056913 5.674760 4.981918 4.783370 5.083033 3.892069 4.803273 6.387013 5.291720 2.488516 4.605378 1.505263 0.000000 3.847757 3.959215 5.194147 3.791220 3.977527 3.927279 4.401270 3.004639 3.549487 5.470873 5.263944 2.503633 3.577497 1.504627 2.538113 0.000000 1.435855 2.678349 2.963892 2.886763 1.444235 3.609622 5.019986 4.827700 3.670848 6.099209 5.424827 5.021169 2.399399 4.915691 5.751517 4.527363 0.000000 3.452483 3.199677 1.216331 3.474649 1.380271 2.321376 6.103088 5.573489 5.011645 7.483565 6.189444 5.047041 3.671872 4.517671 4.666130 4.400827 2.517889 0.000000 3.108656 4.138613 3.485174 1.222741 1.416697 1.355077 6.270968 5.471021 4.875989 7.415310 6.883614 5.259912 3.897860 4.517924 5.034401 3.646477 2.508035 2.310922 0.000000 4.524299 4.382647 2.444793 3.517069 2.315136 1.455402 7.016171 6.211189 5.926034 8.403586 7.209023 5.471472 4.762950 4.601240 4.424364 4.318091 3.728407 1.511223 2.326037 0.000000 5.453280 6.063071 4.882747 2.945055 3.636544 1.458964 8.033532 6.927104 6.790254 9.220105 8.636349 6.336603 5.987376 5.188710 5.139246 4.250545 4.946833 3.733507 2.481413 2.559907 0.000000 5.939545 6.223781 5.401488 3.846190 4.401054 2.438026 7.868321 6.606492 6.804557 9.062937 8.467301 5.818846 6.194622 4.536113 4.244834 3.708632 5.700154 4.344452 3.396282 3.104561 1.464622 0.000000 6.553339 6.586365 6.045109 4.799860 5.245559 3.497023 7.926387 6.572659 7.040830 9.103908 8.504000 5.637262 6.597312 4.299055 3.769794 3.659874 6.494032 5.096489 4.372103 3.905300 2.666801 1.202329 0.000000 4.144809 4.110871 6.730257 5.744109 5.688273 6.559237 2.190816 1.086569 2.190690 2.677227 3.509789 2.182056 3.402636 2.899508 4.325378 3.054856 5.447678 6.303061 5.841015 6.804271 7.148337 6.757569 6.661094 0.000000 2.402030 3.284824 5.926472 4.760439 4.606518 6.084123 2.233326 2.242072 1.082077 2.667708 3.535217 3.505474 2.142197 4.109678 5.566897 3.884069 3.837278 5.540274 4.995493 6.415181 6.971865 7.080088 7.384672 2.396337 0.000000 4.748836 4.974516 7.937158 7.032156 6.904792 8.260430 2.175535 2.708085 2.684902 1.092820 3.484399 4.160060 4.120671 5.148619 6.567284 5.276574 6.168466 7.684663 7.280201 8.509465 9.028297 8.879251 8.933591 2.409444 2.398070 0.000000 4.912223 4.762059 7.788021 7.728285 7.132477 8.822392 2.162231 3.458481 3.019777 1.094469 2.784805 4.760961 4.141160 5.925301 7.233176 6.298049 6.194098 7.792807 7.814378 8.853465 9.802064 9.776053 9.911395 3.675756 3.024797 1.772743 0.000000 5.737608 5.250692 8.296828 8.242978 7.726347 9.112110 2.154691 3.052841 3.464195 1.094695 2.782920 4.173807 4.757269 5.410222 6.617050 5.989073 7.063470 8.251121 8.275048 9.108777 9.937229 9.648019 9.566809 3.070315 3.681111 1.771152 1.771210 0.000000 4.574964 3.314300 6.144295 7.588117 6.256287 8.052125 2.153530 3.482035 3.078256 2.792233 1.094147 4.095712 3.409143 5.292904 6.246905 6.094703 5.478660 6.493523 7.266498 7.667818 9.211612 9.186636 9.326876 4.327603 3.809182 3.791277 2.600065 3.155491 0.000000 4.257372 2.412478 5.081613 6.873533 5.412060 6.920011 2.186375 2.794147 2.869787 3.490598 1.087207 2.766982 2.897157 3.876862 4.612251 4.923977 5.025496 5.404833 6.365880 6.398262 8.012433 7.833881 7.875419 3.832645 3.901830 4.337516 3.799405 3.776811 1.765764 0.000000 5.485012 4.036825 6.843021 8.156989 6.980359 8.430522 2.141319 3.102933 3.532791 2.745027 1.094603 3.446439 4.173323 4.766002 5.588354 5.823959 6.487990 7.101167 7.813588 8.029761 9.417279 9.113940 9.023869 3.836733 4.353612 3.753302 3.089261 2.546134 1.768389 1.769568 0.000000 4.840767 3.352456 5.525128 6.547176 5.549911 6.339800 2.878474 2.206321 3.330427 4.148187 2.821551 1.086900 3.616380 2.092922 2.677560 3.480120 5.665650 5.483582 6.062479 5.950653 7.082048 6.510654 6.249035 2.968701 4.285283 4.630875 4.954005 4.217892 3.875525 2.359193 2.934203 0.000000 6.156760 5.324672 5.981791 6.084730 5.735400 5.184398 5.845540 4.534356 5.573590 7.029415 6.182130 3.222707 5.511153 2.154068 1.096214 2.801642 6.584279 5.475129 5.551626 4.996126 5.237861 4.102807 3.353710 4.742388 6.228755 7.097868 7.950747 7.192572 7.180283 5.588269 6.392834 3.465089 0.000000 5.885168 4.453044 5.319230 6.595220 5.629620 5.643132 5.103984 4.116065 5.113381 6.419841 5.030724 2.626110 4.945480 2.166635 1.092424 3.486206 6.297698 5.168457 5.885802 5.072868 6.100728 5.233902 4.728986 4.669063 5.996837 6.757333 7.241637 6.518761 6.000835 4.288159 5.174079 2.349192 1.776603 0.000000 5.203920 4.200443 4.286477 5.216997 4.363681 3.961079 5.630271 4.516986 5.135667 7.019637 5.772821 3.199262 4.627684 2.148239 1.096711 2.798852 5.330969 3.856972 4.411444 3.443838 4.365532 3.572202 3.265427 5.037781 5.887714 7.208131 7.777468 7.365963 6.624654 4.977551 6.207524 3.429234 1.755854 1.777048 0.000000 4.861367 5.045658 6.121520 4.332838 4.876661 4.411326 5.220725 3.749622 4.483024 6.151883 6.139674 3.218721 4.651811 2.148590 2.811977 1.096035 5.519225 5.266107 4.310774 4.930245 4.374677 3.565235 3.264188 3.547434 4.710934 5.851017 7.055396 6.569177 7.027201 5.844404 6.585485 4.122400 2.630859 3.808558 3.172286 0.000000 3.641688 3.881236 4.475699 3.015133 3.167724 2.838581 5.038199 3.781976 3.993228 6.206626 5.776322 3.220593 3.620411 2.139505 2.767145 1.093024 3.984220 3.545509 2.689923 3.305118 3.223224 2.856971 3.083479 3.988442 4.325101 6.053713 6.929186 6.818332 6.512512 5.301923 6.449702 4.108471 3.105768 3.774664 2.579739 1.748369 0.000000 3.296408 3.857862 5.498972 3.575209 3.996498 4.328544 3.894410 2.579257 2.883940 4.789744 4.990999 2.671408 3.161393 2.178721 3.492997 1.089668 4.225099 4.710540 3.707189 4.870675 4.756194 4.458067 4.563099 2.456883 2.980694 4.457896 5.574596 5.417132 5.732500 4.845984 5.617365 3.752077 3.817218 4.329116 3.791175 1.774537 1.770335 0.000000 2.090778 2.513062 2.576763 3.920219 2.061563 4.271993 5.149115 5.195366 4.006004 6.271596 5.259874 5.331454 2.617971 5.378349 6.104949 5.256680 1.087661 2.608056 3.373066 4.046657 5.692628 6.425847 7.185332 5.959724 4.332232 6.511702 6.246592 7.202228 5.166369 4.788008 6.331803 5.795821 7.036464 6.489747 5.656696 6.298482 4.746615 5.028214 0.000000 2.007717 3.708797 3.805526 2.741202 2.078052 3.931863 5.749448 5.582602 4.329305 6.659670 6.279961 5.922869 3.250053 5.778852 6.666566 5.180688 1.086372 3.275065 2.715196 4.318453 5.157123 6.094572 6.995175 6.072367 4.242874 6.606248 6.678520 7.682737 6.255365 5.986639 7.354620 6.639564 7.426717 7.285838 6.234936 6.090411 4.608072 4.760617 1.791659 0.000000 4.891710 4.380497 2.834254 4.135259 3.007487 2.122802 6.807605 5.898484 5.883729 8.237290 6.942668 4.941924 4.855214 3.981124 3.526212 3.923874 4.352042 2.141009 3.014951 1.095071 2.857740 2.848698 3.337962 6.493423 6.484169 8.384033 8.785209 8.834337 7.524499 6.082824 7.653793 5.327837 4.062488 4.138195 2.477442 4.454694 3.018914 4.672363 4.645064 5.083161 0.000000 5.427591 5.250171 2.778971 4.269306 3.098476 2.125858 8.022290 7.271413 6.946899 9.424929 8.121326 6.497339 5.716709 5.630454 5.303361 5.383431 4.451336 2.155438 3.120648 1.091686 2.948457 3.623655 4.453522 7.889052 7.437009 9.560354 9.832486 10.133109 8.526429 7.263177 8.941847 6.903699 5.828057 5.874854 4.257335 5.936192 4.359333 5.953270 4.634575 4.933632 1.783130 0.000000 5.467071 6.450408 5.566472 2.545959 3.932107 2.070109 8.188084 7.077180 6.859229 9.248711 8.950332 6.685503 6.174071 5.584473 5.764205 4.415777 5.056612 4.364901 2.567523 3.431052 1.091050 2.108733 3.221030 7.169243 6.870406 8.937401 9.815464 10.011649 9.498165 8.436330 9.756931 7.538817 5.813521 6.784545 5.124875 4.462749 3.479214 4.719419 5.931798 5.073598 3.827367 3.862706 0.000000 6.312483 6.843254 5.218892 3.775963 4.274855 2.084343 9.010392 7.942085 7.772621 10.235518 9.526479 7.287648 6.871815 6.132647 5.918089 5.294967 5.625182 4.163787 3.247501 2.848975 1.093228 2.100466 3.201544 8.208857 7.980837 10.077944 10.788367 10.956661 10.070644 8.841396 10.315657 7.965566 5.996710 6.815462 5.043913 5.399164 4.257878 5.837019 6.271030 5.780984 3.227168 2.818168 1.760677 0.000000 7.216591 7.060831 6.745134 5.719540 6.093051 4.496098 8.120041 6.716579 7.401316 9.262850 8.670708 5.680906 7.101148 4.356838 3.636388 3.927618 7.288142 5.889212 5.312441 4.760246 3.732984 2.268531 1.066235 6.746378 7.792805 9.105770 10.141467 9.612111 9.570638 8.058336 9.071145 6.199692 2.946798 4.504977 3.348119 3.343813 3.615186 4.897994 7.947582 7.857402 4.032336 5.313365 4.246644 4.227110 0.000000 C17H22N2O4 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 296.1928999999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;5;6;1;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nO0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.8208,-1.8463,-.9539;-1.4181,-1.1467,1.1097;1.2613,-1.9925,2.334;2.0482,-1.147,-2.1163;1.3594,-1.7693,.0253;3.1634,-.4751,-.1913;-3.8946,.2104,-.2107;-2.7739,1.1485,-.5308;-2.6228,-.3742,-.833;-5.0944,.2206,-1.1428;-4.2677,-.0867,1.2288;-1.9412,1.8187,.5074;-1.6141,-1.1339,-.0891;-.6583,2.1687,.3378;.1291,2.8513,1.424;.1121,1.8865,-.9235;.2568,-2.6065,-.386;1.7521,-1.5224,1.3253;2.1976,-1.1046,-.9035;2.9249,-.573,1.241;4.1151,.465,-.7736;3.7936,1.8628,-.4767;3.5234,3.0033,-.2091;-2.8911,1.7094,-1.454;-2.6792,-.6391,-1.8807;-4.8038,.4335,-2.1746;-5.6055,-.747,-1.1227;-5.8083,.9872,-.825;-4.7261,-1.0775,1.3017;-3.4178,-.0573,1.9062;-5.0048,.6485,1.5672;-2.4202,2.0334,1.4592;.5302,3.8086,1.0714;-.4754,3.0352,2.3152;.9937,2.2397,1.7093;.4767,2.8205,-1.3662;1.0018,1.2955,-.6914;-.4703,1.3515,-1.6731;-.0777,-3.1764,.4779;.5793,-3.2664,-1.1865;2.644,.3923,1.6753;3.7863,-.9729,1.7793;4.1268,.2993,-1.852;5.1138,.2311,-.3956;3.2754,4.0147,.0202; 0.4089880 0.1921278 0.1635944 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= 1095 RedAO= T EigKep= 1.11D-06 NBF= 1095 NBsUse= 1094 1.00D-06 EigRej= 7.67D-07 NBFU= 1094 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= 1216 1208 1213 1216 1216 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1071.78130150332 -1071.84673407666 -0.065432573347 -1071.84676101706 -0.000026940402 -1071.84700262790 -0.000241610840 -1071.84704564148 -0.000043013571 -1071.84704952918 -0.000003887701 -1071.84704977236 -0.000000243180 -1071.84704979904 -0.000000026685 -1071.84704980124 -0.000000002195 -1071.84704980169 -0.000000000454 -1071.84704980160 0.000000000090 -1071.84704980 11 1.066963661423e+03 -6.629235377668e+03 2.425825426491e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11321558952 LenY= 11320037430 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. PT17493.400S Sat Sep 7 20:12:10 2024 -19.17700 -19.12908 -19.12029 -19.12022 -14.38113 -14.36817 -10.32527 -10.31058 -10.30854 -10.27329 -10.23947 -10.22610 -10.19554 -10.18654 -10.18618 -10.18533 -10.17529 -10.17429 -10.15776 -10.15496 -10.15378 -10.15233 -10.15188 -1.11708 -1.09249 -1.06708 -1.03066 -0.99690 -0.94249 -0.88171 -0.80812 -0.80496 -0.76482 -0.74791 -0.73110 -0.71684 -0.69534 -0.68663 -0.68536 -0.65131 -0.63983 -0.60117 -0.56750 -0.55071 -0.54762 -0.53670 -0.52640 -0.51603 -0.50374 -0.49694 -0.49007 -0.48314 -0.47712 -0.46861 -0.46601 -0.45264 -0.45251 -0.44640 -0.43907 -0.43391 -0.43002 -0.42546 -0.42093 -0.41069 -0.40278 -0.39991 -0.38496 -0.38035 -0.37743 -0.37442 -0.36663 -0.36183 -0.34981 -0.33944 -0.32905 -0.31594 -0.31028 -0.30064 -0.29665 -0.29262 -0.28936 -0.28831 -0.28448 -0.27279 -0.23402 -0.03090 -0.02279 -0.00045 0.00628 0.00927 0.01070 0.01772 0.02076 0.02477 0.02749 0.02997 0.03500 0.03538 0.04210 0.04573 0.04855 0.05216 0.05483 0.05717 0.06193 0.06491 0.06646 0.06847 0.07406 0.07608 0.08056 0.08437 0.08826 0.09367 0.09921 0.10368 0.10578 0.10833 0.11032 0.11146 0.11589 0.12074 0.12245 0.12415 0.12774 0.13002 0.13482 0.13822 0.14229 0.14365 0.14669 0.14963 0.15335 0.15519 0.15596 0.15890 0.16142 0.16566 0.16786 0.16899 0.17108 0.17248 0.17910 0.18083 0.18413 0.18586 0.18634 0.18861 0.19448 0.19580 0.19689 0.19782 0.20064 0.20428 0.20637 0.20703 0.21068 0.21295 0.21809 0.21953 0.22030 0.22220 0.22414 0.22842 0.22869 0.23425 0.23528 0.23723 0.24113 0.24341 0.24544 0.24860 0.25063 0.25335 0.25555 0.25851 0.26094 0.26209 0.26835 0.26949 0.27201 0.27608 0.27746 0.28178 0.28551 0.28964 0.29282 0.29448 0.29515 0.30088 0.30366 0.30460 0.30636 0.31219 0.31435 0.31712 0.32053 0.32369 0.32606 0.32875 0.33293 0.33784 0.33860 0.34395 0.34625 0.34824 0.35494 0.35653 0.36059 0.36250 0.36710 0.37255 0.37650 0.37923 0.38464 0.38827 0.39199 0.39384 0.39732 0.40090 0.40591 0.41094 0.41418 0.41784 0.42108 0.42283 0.42400 0.42621 0.42928 0.43230 0.43986 0.44101 0.44397 0.44588 0.45198 0.45609 0.45891 0.46194 0.46325 0.46623 0.47759 0.47982 0.48453 0.49044 0.49214 0.49808 0.50164 0.50269 0.50536 0.51173 0.51541 0.51862 0.52854 0.52937 0.53525 0.53782 0.54094 0.54605 0.54834 0.55147 0.55310 0.55654 0.56056 0.56471 0.56682 0.56979 0.57373 0.57990 0.58065 0.58463 0.58578 0.59501 0.59614 0.59992 0.60372 0.60801 0.60914 0.61559 0.61667 0.61916 0.62122 0.62568 0.63292 0.63556 0.63689 0.63925 0.63991 0.64575 0.64983 0.65272 0.65850 0.66268 0.66438 0.66474 0.67033 0.67726 0.67919 0.68096 0.68571 0.69059 0.69465 0.69905 0.70145 0.70921 0.71459 0.71990 0.72402 0.72548 0.72852 0.73172 0.73750 0.73871 0.74811 0.75114 0.75371 0.76195 0.76616 0.76989 0.77616 0.78003 0.78455 0.78889 0.79408 0.79551 0.80352 0.81006 0.81305 0.81700 0.81836 0.82233 0.82683 0.83161 0.83598 0.83721 0.84949 0.85336 0.85802 0.85941 0.86843 0.87412 0.87525 0.88099 0.89117 0.89401 0.89763 0.89934 0.90979 0.91323 0.91930 0.92751 0.93650 0.94114 0.94584 0.95084 0.95139 0.95760 0.96565 0.97109 0.97911 0.98207 0.98920 0.99523 1.00187 1.00747 1.00913 1.01621 1.02030 1.02715 1.02869 1.03576 1.04134 1.04758 1.05085 1.05320 1.05881 1.06722 1.07160 1.07338 1.08303 1.08615 1.08926 1.09187 1.10096 1.10444 1.10870 1.11594 1.11732 1.12079 1.12235 1.12821 1.13463 1.13889 1.14253 1.15039 1.15253 1.15549 1.16194 1.16393 1.17130 1.17509 1.18153 1.18627 1.18983 1.19044 1.19733 1.20588 1.21027 1.21318 1.21590 1.21656 1.22212 1.22834 1.23323 1.23690 1.24195 1.24264 1.24629 1.25347 1.25765 1.26214 1.26928 1.27105 1.27389 1.27635 1.28826 1.29003 1.29310 1.29940 1.30286 1.30630 1.31559 1.32518 1.32846 1.33051 1.33795 1.33969 1.34385 1.34659 1.35685 1.36075 1.36541 1.36908 1.37100 1.37911 1.38216 1.38691 1.38817 1.39726 1.40102 1.40741 1.41417 1.41656 1.41736 1.42234 1.43149 1.43169 1.43883 1.44125 1.44549 1.45182 1.45999 1.46050 1.46223 1.47276 1.47970 1.48163 1.48727 1.49361 1.50137 1.50503 1.50671 1.51205 1.51630 1.51917 1.52646 1.53015 1.53561 1.53868 1.54562 1.55273 1.55558 1.56076 1.56855 1.57166 1.57961 1.59081 1.59271 1.59720 1.60216 1.60825 1.61592 1.61786 1.62255 1.63737 1.64482 1.64901 1.65753 1.66448 1.66504 1.67311 1.67944 1.68495 1.68931 1.69378 1.69886 1.70471 1.70979 1.72502 1.73041 1.73939 1.74440 1.75900 1.76616 1.77889 1.78356 1.78766 1.79340 1.80507 1.80829 1.81603 1.82082 1.83275 1.83821 1.84286 1.84802 1.85536 1.86184 1.86665 1.86894 1.88058 1.88927 1.89328 1.90830 1.90928 1.92227 1.92478 1.94816 1.95038 1.95555 1.96008 1.96381 1.97016 1.97670 1.98321 1.99658 2.00472 2.01533 2.01876 2.02983 2.03936 2.04488 2.05621 2.06396 2.07071 2.08592 2.09696 2.10368 2.10746 2.11998 2.13362 2.13787 2.14194 2.15424 2.16564 2.16651 2.18115 2.19126 2.19475 2.20652 2.21502 2.22216 2.23265 2.24218 2.25430 2.26073 2.26677 2.27335 2.28998 2.30365 2.30785 2.32711 2.33337 2.34376 2.34602 2.35753 2.37068 2.37308 2.38026 2.39243 2.40456 2.41525 2.42142 2.43879 2.45538 2.46688 2.47139 2.47999 2.50080 2.50823 2.52306 2.54329 2.55302 2.57343 2.58644 2.59449 2.60332 2.61819 2.62959 2.64190 2.65692 2.66965 2.68812 2.70423 2.71418 2.74168 2.74839 2.75709 2.76275 2.76949 2.77177 2.78720 2.79104 2.80079 2.81550 2.82767 2.83328 2.83630 2.85454 2.85887 2.86523 2.87211 2.88175 2.89305 2.89450 2.90295 2.91777 2.92044 2.92834 2.93081 2.93692 2.95109 2.95159 2.95637 2.96531 2.96604 2.97443 2.97878 2.99071 2.99613 3.00139 3.00679 3.00814 3.01848 3.02170 3.03129 3.03751 3.03898 3.04809 3.05441 3.06434 3.06928 3.07601 3.08040 3.09028 3.09268 3.09699 3.10477 3.11407 3.11960 3.12294 3.13210 3.14583 3.14684 3.15721 3.16213 3.16822 3.16992 3.18114 3.19541 3.19775 3.20540 3.20817 3.21674 3.22471 3.23196 3.23585 3.24231 3.25517 3.25782 3.26876 3.27014 3.27455 3.27990 3.28572 3.28876 3.29573 3.29934 3.30091 3.31338 3.31913 3.32614 3.33452 3.34348 3.34821 3.35065 3.35858 3.36257 3.37503 3.38480 3.39846 3.40576 3.40682 3.41339 3.42204 3.42264 3.44290 3.45659 3.46578 3.46752 3.47300 3.47936 3.49059 3.50277 3.50689 3.51693 3.52671 3.53069 3.54942 3.56188 3.56780 3.57837 3.58316 3.59084 3.60233 3.60923 3.61459 3.64113 3.64731 3.65765 3.66224 3.67484 3.68100 3.68659 3.69409 3.70247 3.70872 3.71566 3.72752 3.74223 3.75098 3.75445 3.75877 3.77399 3.77727 3.78735 3.80590 3.81565 3.82274 3.82421 3.84051 3.84557 3.85556 3.86268 3.87660 3.88506 3.88832 3.89347 3.90221 3.91240 3.92401 3.94495 3.96025 3.96377 3.97107 3.97839 3.98480 3.99907 4.00915 4.01438 4.02160 4.02766 4.03267 4.05177 4.07754 4.08622 4.10123 4.10471 4.10967 4.12731 4.13116 4.14069 4.15584 4.17097 4.18432 4.19824 4.20667 4.21825 4.24671 4.24917 4.25772 4.26999 4.28186 4.29216 4.29624 4.31355 4.32307 4.33035 4.34391 4.35676 4.36384 4.37318 4.37896 4.38881 4.39390 4.39571 4.40307 4.40856 4.41105 4.41661 4.42496 4.43907 4.44391 4.44719 4.45494 4.46069 4.46682 4.47950 4.49213 4.49977 4.50345 4.51772 4.52561 4.53498 4.53850 4.54330 4.55781 4.56320 4.56474 4.57295 4.58044 4.58563 4.58598 4.59392 4.60562 4.60749 4.61838 4.62932 4.63757 4.64433 4.64616 4.66183 4.66955 4.68164 4.69649 4.71227 4.71411 4.72499 4.73565 4.73764 4.75116 4.76630 4.77926 4.78183 4.80556 4.81609 4.81950 4.84847 4.85572 4.87539 4.88362 4.88885 4.91879 4.93188 4.94598 4.99122 5.00017 5.04178 5.06111 5.07113 5.08482 5.10349 5.10855 5.12257 5.14735 5.15737 5.16854 5.19158 5.21784 5.28305 5.30004 5.33725 5.35298 5.36036 5.37397 5.39439 5.40533 5.42550 5.47419 5.47890 5.48685 5.52099 5.53206 5.55100 5.57227 5.58023 5.59375 5.59882 5.62606 5.63223 5.63722 5.65051 5.67774 5.68538 5.70544 5.72785 5.74056 5.75936 5.77173 5.77858 5.79168 5.79491 5.79890 5.80384 5.80771 5.81715 5.83148 5.84414 5.84999 5.87719 5.88282 5.89693 5.90549 5.92334 5.93867 5.96292 5.97384 5.99673 6.02829 6.05109 6.10173 6.11217 6.12656 6.17879 6.27311 6.32406 6.35576 6.36105 6.40850 6.45721 6.58702 6.72165 6.81041 6.90173 6.93325 7.02122 7.03534 7.03950 7.05668 7.15033 7.15182 7.16079 7.18880 7.21693 7.23932 7.25575 7.28099 7.28614 7.29247 7.31325 7.32579 7.33593 7.33941 7.35925 7.36554 7.36965 7.37573 7.39577 7.40313 7.40743 7.41971 7.42434 7.44996 7.45760 7.47504 7.50513 7.51307 7.52674 7.54526 7.55628 7.56390 7.58199 7.59792 7.62698 7.64743 7.66978 7.68385 7.69954 7.71897 7.73024 7.74434 7.77297 7.79944 7.83697 7.85993 7.88706 7.93561 7.94257 7.94944 7.97501 7.99257 8.00853 8.04097 8.05896 8.07980 8.09131 8.10418 8.11269 8.12839 8.12922 8.13998 8.15762 8.18502 8.20510 8.21138 8.22289 8.23831 8.26312 8.33174 8.39184 8.43917 8.44336 8.46594 8.50141 8.52585 8.56390 8.60956 8.64714 8.69046 8.73701 8.76359 9.04257 10.52918 10.56468 10.62478 10.67375 10.79083 10.95784 11.15436 11.34974 11.38252 11.74497 14.39724 14.40350 14.43108 14.43928 14.45726 14.46753 14.47471 14.53299 14.59427 14.67828 14.68281 14.71152 14.82011 14.83324 14.86607 14.96396 15.06901 15.09702 15.10727 15.23224 24.02773 24.24867 24.34511 24.42307 24.45436 24.46986 24.47172 24.55039 24.57633 24.65156 24.67897 24.78005 25.12886 25.17817 25.24661 25.74427 27.04511 36.11310 36.20852 50.24526 50.45144 50.47043 50.51159 1-A. Mulliken charges: 1 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 O O O O N N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H -0.573837 -0.763424 -0.858784 -0.856651 -0.689512 -0.625260 0.255610 0.382290 -0.278314 -0.312249 -0.550794 -0.751730 0.570653 0.448668 -0.649358 -0.811845 0.356604 0.664542 1.126341 0.181127 -0.490420 0.441479 -0.323458 0.146011 0.145472 0.152173 0.155301 0.157845 0.151130 0.174518 0.151636 0.143130 0.175640 0.141884 0.193673 0.164016 0.414761 0.174838 0.199940 0.195177 0.221246 0.184654 0.204540 0.191155 0.269578 -0.00000 2.7686 3.0752 -1.3766 4.3608 -106.3320 -129.2819 -157.2336 -0.0090 11.3182 7.0113 24.6171 1.6673 -26.2844 -0.0090 11.3182 7.0113 54.5220 -17.1858 -9.6023 16.7105 -18.6764 6.7255 -21.0522 31.6070 -11.3977 -0.4274 -5659.5793 -2129.1828 -1296.1102 -137.0782 50.6792 90.5690 63.2958 37.6523 42.1799 -1451.0955 -1235.1596 -665.3089 -6.9148 6.2106 8.9213 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GASCONES ALCAMI 2024-09-07T00:00:00.000 0 Single Point Imiprothrin_RS CONF3 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1071.8470498 RMSD=4.708e-09 Dipole=-0.9898353,-1.2855697,-0.5577828 Quadrupole=19.4828945,0.4965892,-19.9794837,0.8311414,-4.6108666,-6.76184 PG=C01 [X(C17H22N2O4)] 0 0.889660788 1.7392139293 -1.0299810134 0 1.3155368112 1.1949367247 1.1210792027 0 -1.4953002653 2.0031777024 2.037524468 0 -1.8310603821 0.8499896414 -2.400618929 0 -1.3685652966 1.6326440035 -0.250781608 0 -3.0970217288 0.2534640564 -0.5453114731 0 3.9517252567 -0.1375025973 0.1243765863 0 2.9001114939 -1.1395831268 -0.2340549673 0 2.7237720315 0.3537992028 -0.6485017893 0 5.2331087928 -0.1557977059 -0.6916854485 0 4.1774691473 0.2639937102 1.569254975 0 1.9982403437 -1.7778516691 0.7657266398 0 1.6233084543 1.1156419918 -0.0513383809 0 0.7501239813 -2.1908388094 0.5032055929 0 -0.1107248244 -2.8365728073 1.5557185525 0 0.091774359 -2.0200556403 -0.8389237098 0 -0.2628683898 2.4877907887 -0.6140629408 0 -1.8723122114 1.4510925747 1.0213920087 0 -2.0918532778 0.877112203 -1.2063215276 0 -2.99737297 0.4502830465 0.8932733046 0 -3.9558240962 -0.7598707156 -1.148790231 0 -3.6139296165 -2.1217816464 -0.7323475313 0 -3.3294304267 -3.2312506717 -0.3666519444 0 3.1232558053 -1.7514954781 -1.1037692399 0 2.8685586276 0.5549981326 -1.7018041471 0 5.0482626441 -0.4444377955 -1.7293625884 0 5.7052374653 0.8315976201 -0.6888163713 0 5.9409787978 -0.8707351577 -0.2602442489 0 4.5913455294 1.275658931 1.6182144931 0 3.2694079025 0.2414576466 2.1666958859 0 4.9052991615 -0.41735704 2.0211178636 0 2.3932980204 -1.9126731945 1.7692729538 0 -0.4426061912 -3.8298805252 1.2318657712 0 0.4138011399 -2.9392674189 2.5084604869 0 -1.019443711 -2.2449553631 1.7200186061 0 -0.1961444759 -2.9942064655 -1.2505371372 0 -0.8362704259 -1.453293946 -0.7284042781 0 0.7224394411 -1.5090365886 -1.5659015956 0 -0.0313105343 3.1237937322 0.2373402535 0 -0.5322571213 3.0825024497 -1.4823664361 0 -2.7241671874 -0.4735243676 1.4139632758 0 -3.9191794012 0.8468007851 1.3231857569 0 -3.8723205013 -0.6622331476 -2.2322497313 0 -4.9932965342 -0.5445662271 -0.879640571 0 -3.0680913548 -4.215124074 -0.0495522238