Gaussian 16 GINC-BELVIS19 APULGAR Optimization metolachlor CONF57 gas EM64L-G16RevC.01 11-Nov-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 41 41 76 76 558 (5D, 7F) 6-311+G(d,p) 117 117 C1[X(C15H22ClNO2)] C1[X(C15H22ClNO2)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 261.61899999999986 0 1 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;4;2;3;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.227,2.8663,.9807;-3.8072,.3,-1.1858;-1.4319,1.1216,1.9376;-.4578,-.0408,.2551;-1.7834,-.4782,-.2267;.7331,-.6422,-.248;1.2354,-1.7858,.3864;-2.4739,.6673,-.9672;1.3721,-.0992,-1.3676;-1.7077,-1.7217,-1.097;.5672,-2.4184,1.5811;-.4311,.7746,1.3506;2.4037,-2.3603,-.1023;2.5404,-.7019,-1.8216;.826,1.0828,-2.112;3.0575,-1.8216,-1.1954;1.3205,-2.1871,2.8895;.9244,1.3048,1.7992;-4.5367,1.2827,-1.8588;-2.3899,-.7048,.6548;-2.4156,1.5908,-.378;-1.9596,.854,-1.9219;-1.1168,-1.5611,-1.9994;-2.7164,-1.9925,-1.4026;-1.284,-2.5738,-.5674;-.4581,-2.0662,1.6922;.4962,-3.4947,1.4037;2.7997,-3.2468,.3793;3.0487,-.2841,-2.6818;.3058,1.7843,-1.4661;1.6269,1.6254,-2.6119;.1251,.7603,-2.8852;3.9664,-2.2786,-1.5642;1.3546,-1.131,3.1567;2.349,-2.5428,2.828;.8344,-2.7133,3.7106;.8771,1.5009,2.8673;1.7676,.6573,1.5791;-4.1292,1.4938,-2.8565;-4.5678,2.2292,-1.3044;-5.5578,.9219,-1.9767; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-4369949/Gau-18858.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-4369949/" chk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/metolachlor #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization metolachlor CONF57 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 35 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 1 2 2 3 4 4 4 5 5 5 6 6 7 7 8 8 9 9 10 10 10 11 11 11 12 13 13 14 14 15 15 15 16 17 17 17 18 18 19 19 19 18 8 19 12 5 6 12 8 10 20 7 9 11 13 21 22 14 15 23 24 25 17 26 27 18 16 28 16 29 30 31 32 33 34 35 36 37 38 39 40 41 1.7889 1.4001 1.3967 1.211 1.4768 1.4259 1.3659 1.5288 1.5197 1.0937 1.4008 1.3989 1.508 1.3906 1.097 1.1004 1.3908 1.4997 1.0906 1.0882 1.089 1.5274 1.0898 1.0931 1.5231 1.3829 1.0839 1.3832 1.083 1.0863 1.089 1.0923 1.0821 1.0899 1.09 1.0897 1.087 1.0857 1.0983 1.0974 1.0894 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 8 5 5 6 4 4 4 8 8 10 4 4 7 6 6 11 2 2 2 5 5 21 6 6 14 5 5 5 23 23 24 7 7 7 17 17 26 3 3 4 7 7 16 9 9 16 9 9 9 30 30 31 13 13 14 11 11 11 34 34 35 1 1 1 12 12 37 2 2 2 39 39 40 2 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 19 6 12 12 8 10 20 10 20 20 7 9 9 11 13 13 5 21 22 21 22 22 14 15 15 23 24 25 24 25 25 17 26 27 26 27 27 4 18 18 16 28 28 16 29 29 30 31 32 31 32 32 14 33 33 34 35 36 35 36 36 12 37 38 37 38 38 39 40 41 40 41 41 112.8322 120.6458 117.1308 121.2265 109.9722 112.6099 107.2264 110.9909 107.1737 108.6388 118.9513 120.0081 121.0363 122.8432 118.6417 118.5146 108.0098 110.816 110.7444 110.2758 109.6509 107.3509 118.4708 122.4698 119.0414 112.3556 108.5565 112.4086 107.8474 107.8626 107.6106 113.3637 111.2286 108.2592 109.1299 108.6709 105.8833 122.929 119.5399 117.4792 120.9346 119.255 119.8089 121.1373 119.0998 119.7628 112.847 110.6533 110.6302 107.6627 107.7144 107.0995 119.7624 120.1358 120.1003 111.8514 111.5729 110.6344 107.4862 107.2822 107.807 108.6426 107.4299 107.2436 108.2657 115.0777 109.9204 112.2836 112.2236 107.9791 107.6755 108.2529 108.2903 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 19 19 19 8 8 8 6 6 6 12 12 12 5 5 12 12 5 5 6 6 4 4 4 10 10 10 20 20 20 4 4 4 8 8 8 20 20 20 4 4 9 9 4 4 7 7 6 6 6 13 13 13 6 6 11 11 6 6 15 15 6 6 6 14 14 14 7 7 7 26 26 26 27 27 27 3 3 3 4 4 4 7 7 28 28 9 9 29 29 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 14 14 14 14 8 8 8 19 19 19 5 5 5 5 5 5 6 6 6 6 12 12 12 12 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 7 7 7 7 9 9 9 9 11 11 11 11 11 11 13 13 13 13 14 14 14 14 15 15 15 15 15 15 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 16 16 16 16 16 16 16 16 5 21 22 39 40 41 8 10 20 8 10 20 7 9 7 9 3 18 3 18 2 21 22 2 21 22 2 21 22 23 24 25 23 24 25 23 24 25 11 13 11 13 14 15 14 15 17 26 27 17 26 27 16 28 16 28 16 29 16 29 30 31 32 30 31 32 34 35 36 34 35 36 34 35 36 1 37 38 1 37 38 14 33 14 33 13 33 13 33 179.9 59.0068 -60.0162 61.3327 -60.1266 -179.402 -115.5152 8.8333 128.2789 75.7681 -159.8834 -40.4378 -88.5582 90.6897 79.6923 -101.0597 1.304 -176.0633 -167.3431 15.2897 -169.16 -47.9306 70.0714 65.5603 -173.2104 -55.2084 -52.9209 68.3085 -173.6896 -61.5842 179.2315 60.309 62.2016 -56.9827 -175.9052 179.7938 60.6094 -58.3131 0.2848 -179.4422 -178.9552 1.3178 179.2441 -2.3161 -1.5239 176.9158 -107.0412 16.3788 132.3124 72.6861 -163.8939 -47.9603 -0.2825 -179.8357 179.9785 0.4253 0.7067 -179.4133 -177.7877 2.0924 32.955 153.6635 -87.8034 -148.6138 -27.9054 90.6277 63.9826 -56.4599 -176.478 -60.5813 178.9762 58.9581 -175.6041 63.9534 -56.0647 -86.7897 29.5855 152.9928 90.6704 -152.9544 -29.5471 -0.5164 179.9325 179.0344 -0.5168 0.2996 179.8509 -179.5797 -0.0284 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 577 A 558 A 877 577 1707.1481091491 41 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= 558 RedAO= T EigKep= 2.51D-06 NBF= 558 NBsUse= 555 1.00D-06 EigRej= 8.36D-07 NBFU= 555 Berny optimization. local minimum Step number 16 out of a maximum of 213 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00180 0.00242 0.00398 0.00484 0.00503 0.00780 0.01052 0.01419 0.01567 0.01612 0.01666 0.01735 0.01942 0.02131 0.02237 0.02266 0.02278 0.02289 0.02320 0.02955 0.03900 0.04479 0.04812 0.04971 0.05307 0.05471 0.05487 0.05516 0.05578 0.05629 0.05908 0.06442 0.06622 0.07097 0.07387 0.07503 0.09541 0.10218 0.10623 0.10732 0.11230 0.13174 0.13760 0.14928 0.15641 0.15946 0.15974 0.15999 0.16000 0.16000 0.16002 0.16005 0.16006 0.16013 0.16022 0.16024 0.16081 0.16197 0.16242 0.16380 0.19086 0.19775 0.21133 0.22085 0.22331 0.23130 0.23464 0.23677 0.24875 0.24978 0.25139 0.26012 0.26673 0.27324 0.29185 0.29447 0.29731 0.30259 0.31455 0.32771 0.33070 0.33568 0.33782 0.33935 0.34247 0.34414 0.34460 0.34531 0.34582 0.34753 0.34805 0.34841 0.34869 0.34920 0.34938 0.35022 0.35133 0.35150 0.35434 0.35497 0.35572 0.35656 0.35756 0.36680 0.39164 0.41447 0.42365 0.43572 0.44293 0.45208 0.45987 0.47374 0.47801 0.48319 0.51424 0.54804 0.98276 -2.23869671e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 3.43779 2.68031 2.67434 2.30853 2.81971 2.72505 2.59396 2.89801 2.88237 2.06650 2.65996 2.65582 2.86546 2.64066 2.07079 2.07788 2.64184 2.84895 2.06533 2.06067 2.06110 2.90745 2.06118 2.06922 2.88836 2.62728 2.05076 2.62789 2.04981 2.05590 2.06271 2.07024 2.04900 2.06379 2.06564 2.06540 2.05259 2.05032 2.07852 2.07665 2.06090 1.97139 2.10770 2.03940 2.11803 1.91665 1.96779 1.86276 1.94238 1.85748 1.91181 2.07211 2.09212 2.11892 2.13872 2.06708 2.07738 1.87405 1.92838 1.92323 1.91541 1.92475 1.89813 2.06371 2.13117 2.08787 1.94781 1.88366 1.95609 1.89091 1.88790 1.89589 1.98450 1.92897 1.88534 1.90468 1.89742 1.85838 2.14486 2.08701 2.05089 2.11001 2.07970 2.09345 2.11363 2.07795 2.09160 1.95694 1.93108 1.92482 1.88862 1.88301 1.87679 2.09251 2.09585 2.09479 1.94712 1.93954 1.92903 1.88149 1.87629 1.88790 1.91613 1.86233 1.85408 1.88237 1.99843 1.94591 1.94545 1.94428 1.87129 1.89614 1.90229 1.90360 3.07676 0.98836 -1.10966 1.06579 -1.05535 -3.13684 -2.06030 0.11647 2.21628 1.28166 -2.82476 -0.72496 -1.54579 1.58605 1.38634 -1.76500 0.01978 -3.09023 -2.92019 0.25299 -2.94812 -0.85146 1.23926 1.14369 -3.04283 -0.95211 -0.93815 1.15852 -3.03395 -1.05657 -3.13236 1.06398 1.10606 -0.96973 -3.05658 -3.12798 1.07942 -1.00743 0.02034 -3.12139 -3.11135 0.03011 3.11651 -0.05693 -0.03510 3.07465 -1.83076 0.31822 2.34490 1.31096 -2.82324 -0.79655 -0.00573 -3.14034 3.13573 0.00112 0.01601 -3.12760 -3.09455 0.04503 0.56422 2.67445 -1.53452 -2.60964 -0.49942 1.57480 1.14211 -0.95820 -3.05445 -1.02010 -3.12041 1.06652 -3.04036 1.14253 -0.95373 -1.58818 0.43462 2.61166 1.52291 -2.73747 -0.56043 -0.01279 3.13770 3.12177 -0.01093 0.00752 3.14022 -3.13205 0.00065 0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -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 0.00003 0.00001 0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 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 -0.00002 -0.00001 0.00000 0.00001 -0.00003 0.00001 0.00000 -0.00000 0.00002 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00002 0.00001 0.00001 0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00002 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 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00006 -0.00001 0.00000 0.00003 0.00003 -0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 0.00003 0.00003 0.00003 0.00001 0.00000 0.00001 0.00003 0.00001 0.00002 0.00002 0.00000 0.00001 0.00002 0.00002 0.00003 0.00002 0.00003 0.00007 0.00003 0.00007 -0.00005 -0.00005 -0.00005 -0.00005 -0.00005 -0.00005 -0.00005 -0.00005 -0.00005 0.00002 0.00002 0.00002 -0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00001 -0.00004 -0.00003 -0.00003 -0.00003 0.00002 0.00001 0.00001 0.00001 0.00013 0.00012 0.00013 0.00012 0.00011 0.00013 0.00002 0.00001 0.00003 0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00005 0.00005 0.00005 0.00004 0.00005 0.00004 -0.00010 -0.00008 -0.00009 -0.00009 -0.00008 -0.00008 -0.00010 -0.00008 -0.00009 0.00030 0.00028 0.00031 0.00026 0.00024 0.00027 -0.00000 0.00000 0.00001 0.00002 -0.00001 -0.00002 0.00001 0.00000 0.00004 0.00001 0.00000 -0.00000 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 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 0.00001 0.00003 -0.00002 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00002 0.00003 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00003 -0.00002 0.00000 0.00003 0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00004 0.00003 0.00004 0.00000 0.00001 0.00001 0.00002 0.00003 0.00001 -0.00006 -0.00005 -0.00007 -0.00002 -0.00001 0.00006 0.00007 0.00001 -0.00001 -0.00007 -0.00009 0.00001 0.00001 0.00001 0.00000 0.00001 0.00001 0.00000 0.00001 0.00001 -0.00003 -0.00002 -0.00003 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00003 -0.00003 0.00002 -0.00005 -0.00006 -0.00004 -0.00005 0.00008 0.00009 0.00010 0.00003 0.00004 0.00005 0.00000 0.00000 0.00005 0.00005 0.00003 0.00003 0.00004 0.00005 0.00009 0.00010 0.00009 0.00008 0.00008 0.00007 -0.00001 -0.00002 -0.00002 -0.00003 -0.00003 -0.00003 -0.00002 -0.00002 -0.00002 -0.00005 -0.00007 -0.00004 -0.00003 -0.00006 -0.00003 -0.00002 -0.00002 -0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00007 0.00001 0.00002 -0.00001 0.00002 -0.00001 -0.00000 -0.00001 -0.00001 -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 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00002 0.00002 0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 0.00002 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00005 -0.00003 -0.00002 0.00004 0.00005 0.00000 -0.00001 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00007 0.00006 0.00007 0.00001 0.00001 0.00001 0.00004 0.00004 0.00003 -0.00004 -0.00005 -0.00006 -0.00000 0.00001 0.00009 0.00009 0.00004 0.00006 -0.00005 -0.00002 -0.00005 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00005 -0.00005 -0.00004 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00001 -0.00005 0.00000 -0.00006 -0.00001 -0.00003 -0.00005 -0.00002 -0.00004 0.00021 0.00021 0.00023 0.00015 0.00015 0.00017 0.00003 0.00001 0.00008 0.00006 0.00003 0.00002 0.00005 0.00004 0.00014 0.00015 0.00014 0.00012 0.00013 0.00011 -0.00011 -0.00010 -0.00011 -0.00012 -0.00011 -0.00012 -0.00012 -0.00011 -0.00011 0.00025 0.00020 0.00027 0.00022 0.00018 0.00025 -0.00002 -0.00002 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00000 3.43786 2.68033 2.67436 2.30852 2.81973 2.72504 2.59396 2.89800 2.88235 2.06650 2.65996 2.65582 2.86545 2.64067 2.07079 2.07787 2.64184 2.84895 2.06533 2.06067 2.06110 2.90745 2.06118 2.06921 2.88835 2.62728 2.05076 2.62789 2.04981 2.05590 2.06271 2.07024 2.04900 2.06379 2.06564 2.06540 2.05259 2.05031 2.07851 2.07664 2.06091 1.97137 2.10770 2.03940 2.11804 1.91665 1.96779 1.86275 1.94238 1.85749 1.91180 2.07211 2.09212 2.11891 2.13873 2.06708 2.07738 1.87406 1.92837 1.92323 1.91541 1.92474 1.89813 2.06371 2.13118 2.08786 1.94781 1.88367 1.95610 1.89091 1.88789 1.89588 1.98448 1.92899 1.88535 1.90468 1.89740 1.85838 2.14486 2.08700 2.05089 2.11000 2.07970 2.09346 2.11363 2.07796 2.09159 1.95696 1.93108 1.92481 1.88862 1.88301 1.87678 2.09251 2.09585 2.09479 1.94713 1.93953 1.92904 1.88149 1.87628 1.88790 1.91608 1.86230 1.85406 1.88240 1.99848 1.94591 1.94544 1.94427 1.87129 1.89615 1.90229 1.90360 3.07684 0.98842 -1.10959 1.06580 -1.05534 -3.13683 -2.06026 0.11651 2.21630 1.28161 -2.82481 -0.72502 -1.54579 1.58606 1.38643 -1.76491 0.01981 -3.09017 -2.92024 0.25297 -2.94817 -0.85150 1.23922 1.14365 -3.04287 -0.95215 -0.93820 1.15847 -3.03399 -1.05658 -3.13237 1.06397 1.10605 -0.96974 -3.05658 -3.12797 1.07943 -1.00742 0.02028 -3.12139 -3.11141 0.03010 3.11648 -0.05698 -0.03512 3.07460 -1.83056 0.31842 2.34513 1.31112 -2.82309 -0.79638 -0.00571 -3.14033 3.13581 0.00118 0.01604 -3.12758 -3.09450 0.04507 0.56436 2.67460 -1.53438 -2.60952 -0.49929 1.57491 1.14200 -0.95830 -3.05456 -1.02022 -3.12052 1.06641 -3.04047 1.14242 -0.95384 -1.58793 0.43482 2.61193 1.52314 -2.73729 -0.56018 -0.01280 3.13769 3.12177 -0.01093 0.00751 3.14021 -3.13205 0.00065 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000013 0.000002 0.000486 0.000116 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.854292e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 1 2 2 3 4 4 4 5 5 5 6 6 7 7 8 8 9 9 10 10 10 11 11 11 12 13 13 14 14 15 15 15 16 17 17 17 18 18 19 19 19 18 8 19 12 5 6 12 8 10 20 7 9 11 13 21 22 14 15 23 24 25 17 26 27 18 16 28 16 29 30 31 32 33 34 35 36 37 38 39 40 41 1.8192 1.4184 1.4152 1.2216 1.4921 1.442 1.3727 1.5336 1.5253 1.0935 1.4076 1.4054 1.5163 1.3974 1.0958 1.0996 1.398 1.5076 1.0929 1.0905 1.0907 1.5386 1.0907 1.095 1.5285 1.3903 1.0852 1.3906 1.0847 1.0879 1.0915 1.0955 1.0843 1.0921 1.0931 1.093 1.0862 1.085 1.0999 1.0989 1.0906 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 8 5 5 6 4 4 4 8 8 10 4 4 7 6 6 11 2 2 2 5 5 21 6 6 14 5 5 5 23 23 24 7 7 7 17 17 26 3 3 4 7 7 16 9 9 16 9 9 9 30 30 31 13 13 14 11 11 11 34 34 35 1 1 1 12 12 37 2 2 2 39 39 40 2 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 19 6 12 12 8 10 20 10 20 20 7 9 9 11 13 13 5 21 22 21 22 22 14 15 15 23 24 25 24 25 25 17 26 27 26 27 27 4 18 18 16 28 28 16 29 29 30 31 32 31 32 32 14 33 33 34 35 36 35 36 36 12 37 38 37 38 38 39 40 41 40 41 41 112.952 120.7623 116.8489 121.3541 109.8157 112.7463 106.7282 111.2899 106.4258 109.5385 118.7231 119.8696 121.4049 122.5397 118.435 119.0253 107.3751 110.488 110.1932 109.7448 110.28 108.755 118.2418 122.1071 119.6262 111.601 107.9259 112.0755 108.3414 108.1686 108.6266 113.7033 110.5219 108.0218 109.1303 108.7141 106.4773 122.8914 119.5767 117.5074 120.8944 119.1583 119.9461 121.1022 119.0578 119.8399 112.1242 110.6428 110.2842 108.2101 107.8885 107.532 119.892 120.0836 120.0225 111.5619 111.1273 110.5252 107.8016 107.5034 108.1685 109.7862 106.7039 106.2309 107.8516 114.5015 111.4924 111.4659 111.399 107.2171 108.6407 108.993 109.0684 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 19 19 19 8 8 8 6 6 6 12 12 12 5 5 12 12 5 5 6 6 4 4 4 10 10 10 20 20 20 4 4 4 8 8 8 20 20 20 4 4 9 9 4 4 7 7 6 6 6 13 13 13 6 6 11 11 6 6 15 15 6 6 6 14 14 14 7 7 7 26 26 26 27 27 27 3 3 3 4 4 4 7 7 28 28 9 9 29 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 14 14 14 8 8 8 19 19 19 5 5 5 5 5 5 6 6 6 6 12 12 12 12 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 7 7 7 7 9 9 9 9 11 11 11 11 11 11 13 13 13 13 14 14 14 14 15 15 15 15 15 15 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 16 16 16 16 16 16 16 5 21 22 39 40 41 8 10 20 8 10 20 7 9 7 9 3 18 3 18 2 21 22 2 21 22 2 21 22 23 24 25 23 24 25 23 24 25 11 13 11 13 14 15 14 15 17 26 27 17 26 27 16 28 16 28 16 29 16 29 30 31 32 30 31 32 34 35 36 34 35 36 34 35 36 1 37 38 1 37 38 14 33 14 33 13 33 13 176.2855 56.6289 -63.5789 61.0653 -60.4671 -179.7276 -118.0463 6.6733 126.9832 73.4334 -161.847 -41.5371 -88.5673 90.8741 79.4316 -101.127 1.1331 -177.057 -167.3145 14.4954 -168.915 -48.7848 71.0045 65.5286 -174.3412 -54.5519 -53.7521 66.3781 -173.8325 -60.5373 -179.4712 60.9614 63.3724 -55.5616 -175.129 -179.2201 61.846 -57.7214 1.1652 -178.8425 -178.2672 1.725 178.5629 -3.2617 -2.011 176.1643 -104.8951 18.2325 134.353 75.1127 -161.7597 -45.6392 -0.3285 -179.9283 179.664 0.0643 0.9171 -179.1981 -177.3049 2.5799 32.3277 153.2345 -87.9215 -149.5215 -28.6146 90.2293 65.4379 -54.9007 -175.0073 -58.4475 -178.7861 61.1073 -174.1995 65.4619 -54.6447 -90.996 24.902 149.6371 87.2565 -156.8454 -32.1104 -0.7326 179.7771 178.8641 -0.6262 0.4308 179.9214 -179.4531 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0528951030 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 261.61899999999986 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;4;2;3;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.227,2.8663,.9807;-3.8072,.3,-1.1858;-1.4319,1.1216,1.9376;-.4578,-.0408,.2551;-1.7835,-.4782,-.2267;.7331,-.6422,-.2479;1.2354,-1.7858,.3864;-2.4739,.6673,-.9672;1.3721,-.0992,-1.3676;-1.7077,-1.7217,-1.097;.5672,-2.4184,1.5811;-.4311,.7746,1.3506;2.4037,-2.3603,-.1023;2.5404,-.7019,-1.8216;.826,1.0828,-2.112;3.0575,-1.8216,-1.1954;1.3205,-2.1871,2.8894;.9244,1.3048,1.7992;-4.5367,1.2827,-1.8588;-2.3899,-.7048,.6548;-2.4156,1.5908,-.378;-1.9596,.854,-1.9219;-1.1168,-1.5611,-1.9994;-2.7164,-1.9925,-1.4026;-1.284,-2.5738,-.5674;-.4581,-2.0662,1.6922;.4962,-3.4947,1.4037;2.7997,-3.2468,.3793;3.0487,-.2841,-2.6818;.3058,1.7843,-1.4661;1.6269,1.6254,-2.6119;.1251,.7603,-2.8852;3.9664,-2.2786,-1.5642;1.3546,-1.131,3.1567;2.349,-2.5428,2.828;.8344,-2.7133,3.7106;.8771,1.5009,2.8673;1.7676,.6573,1.579;-4.1292,1.4938,-2.8565;-4.5677,2.2292,-1.3044;-5.5578,.9219,-1.9767; 0.000000 6.051701 0.000000 3.321119 4.009035 0.000000 3.437474 3.662069 2.265105 0.000000 4.659018 2.370834 2.714192 1.476773 0.000000 3.750122 4.730952 3.546118 1.425872 2.522030 0.000000 4.689923 5.678903 4.239514 2.435004 3.346534 1.400844 0.000000 4.725202 1.400062 3.119314 2.461764 1.528776 3.538020 4.648553 0.000000 3.785454 5.197843 4.503010 2.446453 3.376832 1.398891 2.437202 3.942078 0.000000 5.829167 2.915960 4.167552 2.493163 1.519673 2.800685 3.296418 2.512175 3.491602 0.000000 5.359515 5.846401 4.081067 2.908961 3.543748 2.554920 1.507961 5.026305 3.836867 3.582223 0.000000 2.694751 4.249349 1.211016 1.365923 2.426180 2.432745 3.203492 3.091516 3.376975 3.721810 3.353325 0.000000 5.465765 6.842953 5.567423 3.700800 4.592393 2.400752 1.390598 5.805643 2.788866 4.277954 2.491951 4.469249 0.000000 4.723338 6.457539 5.765036 3.706586 4.614046 2.397100 2.784414 5.267661 1.390779 4.428495 4.291607 4.590510 2.392646 0.000000 3.592533 4.789235 4.636622 2.917741 3.577684 2.541402 3.825946 3.517474 1.499738 3.913419 5.095438 3.696600 4.287452 2.491696 0.000000 5.482950 7.185054 6.215515 4.199108 5.116441 2.773303 2.413156 6.069876 2.415988 4.767269 3.777087 5.039114 1.382904 1.383203 3.775590 0.000000 5.402707 7.006164 4.407850 3.835220 4.718622 3.546099 2.536449 6.117120 4.741811 5.027722 1.527374 3.769260 3.186513 5.088003 5.995870 4.453837 0.000000 1.788860 5.684039 2.367506 2.470915 3.823093 2.831683 3.412399 4.428185 3.492920 4.947289 3.746666 1.523077 4.385960 4.443935 3.918723 4.826201 3.679495 0.000000 6.617484 1.396710 4.906927 4.780954 3.653029 5.837068 6.911841 2.329926 6.088098 4.196407 7.181950 5.235919 8.032778 7.350195 5.372386 8.230949 8.300111 6.573097 0.000000 5.093269 2.531086 2.428752 2.081775 1.093734 3.251490 3.792518 2.126225 4.313910 2.137310 3.540977 2.551407 5.127584 5.517275 4.603522 5.860407 4.577928 4.041394 3.857123 0.000000 4.091662 2.062812 2.559245 2.625950 2.168622 3.862324 5.031402 1.097005 4.264000 3.462691 5.367349 2.755496 6.237946 5.648166 3.711094 6.501290 6.237533 3.997237 2.605137 2.517390 0.000000 4.756997 2.064565 3.904575 2.792026 2.163213 3.505962 4.743930 1.100400 3.509429 2.716306 5.418886 3.612817 5.716725 4.762444 2.801406 5.732185 6.569370 4.729462 2.613285 3.042184 1.770394 0.000000 5.828926 3.371033 4.774508 2.797945 2.181680 2.708169 3.357887 2.805861 2.954822 1.090646 4.048539 4.141078 4.078182 3.760942 3.282808 4.258965 5.498485 5.177800 4.450022 3.065801 3.774903 2.559108 0.000000 6.696128 2.547956 4.743786 3.414411 2.132149 3.880142 4.342781 2.705983 4.505738 1.088176 4.457054 4.523191 5.295406 5.429077 4.744319 5.780114 5.895394 5.863352 3.774678 2.448977 3.738925 2.990797 1.760998 0.000000 6.188426 3.873957 4.466833 2.788433 2.181102 2.811002 2.806776 3.475668 3.717380 1.089041 2.840235 3.951956 3.723024 4.438765 4.495307 4.450657 4.345433 5.051882 5.207708 2.491980 4.319704 3.747126 1.761867 1.757047 0.000000 5.260771 5.009802 3.342229 2.483479 2.821455 2.685290 2.156757 4.313701 4.072010 3.075626 1.089768 2.861353 3.390637 4.816504 5.102566 4.555997 2.147418 3.645050 6.360780 2.580936 4.635831 4.883027 3.783785 3.831816 2.458773 0.000000 6.416833 6.294791 5.031171 3.762866 4.117599 3.304643 2.121728 5.636055 4.469581 3.775460 1.093102 4.369133 2.682076 4.730843 5.781150 4.014304 2.143994 4.834761 7.667950 4.083339 6.124947 6.000176 4.233434 4.522465 2.811140 1.741980 0.000000 6.340801 7.660288 6.278345 4.572245 5.388679 3.383487 2.140484 6.704059 3.872667 4.982158 2.667290 5.249097 1.083864 3.374584 5.370959 2.139485 3.100303 5.123489 8.907748 5.785250 7.153648 6.690533 4.882486 5.930884 4.245633 3.705467 2.533128 0.000000 5.163096 7.041458 6.587138 4.580376 5.423533 3.378406 3.867395 5.860409 2.138259 5.215527 5.374466 5.430498 3.373444 1.082987 2.670860 2.138539 6.135692 5.207383 7.789120 6.394382 6.219374 5.191879 4.409901 6.147426 5.337132 5.882589 5.789145 4.267319 0.000000 2.829486 4.381567 3.878591 2.622260 3.319589 2.748564 4.128129 3.037016 2.166633 4.059862 5.197717 3.081629 4.841355 3.361745 1.086277 4.544014 5.980992 3.357808 4.884195 4.237993 2.937160 2.491003 3.674203 4.837502 4.725239 5.038298 6.011644 5.910799 3.644192 0.000000 3.821859 5.772325 5.505270 3.916828 4.663108 3.395454 4.558396 4.521057 2.141758 4.961611 5.920816 4.545449 4.773541 2.622069 1.088965 3.991834 6.700271 4.478224 6.218901 5.677677 4.618767 3.732828 4.249264 5.780593 5.503264 6.041521 6.604439 5.836186 2.381697 1.756038 0.000000 4.538103 4.308436 5.080713 3.292814 3.499113 3.048233 4.291663 3.231443 2.143980 3.566123 5.499706 4.272208 4.761743 3.017097 1.092285 4.256814 6.592589 4.783206 4.801961 4.582946 3.664753 2.298386 2.777684 4.224901 4.298078 5.411217 6.052858 5.819550 3.111188 1.759301 1.754540 0.000000 6.360082 8.198826 7.277737 5.281206 6.171815 3.855411 3.392072 7.107209 3.393927 5.720500 4.633256 6.095577 2.141491 2.141387 4.632562 1.082112 5.181173 5.779877 9.223449 6.913989 7.557002 6.712552 5.151972 6.690865 5.352310 5.497765 4.725455 2.464996 2.463509 5.469635 4.670268 5.072969 0.000000 4.552994 6.895549 3.784817 3.590606 4.660547 3.495201 2.849096 5.907447 4.640488 5.274449 2.181744 3.175122 3.637659 5.135486 5.739197 4.724115 1.089919 2.821464 8.104802 4.523464 5.840899 6.380914 5.733928 6.172641 4.786703 2.510996 3.065420 3.778739 6.137979 5.564947 6.399068 6.449208 5.515927 0.000000 5.824940 7.879788 5.340029 4.556127 5.538181 3.960394 2.788323 6.925997 4.952677 5.704100 2.178381 4.573439 2.936506 5.004422 6.314067 4.148476 1.090031 4.229846 9.165894 5.527929 7.075756 7.257023 6.023277 6.622628 4.972805 3.065477 2.523451 2.587479 5.995756 6.429448 6.891126 6.963950 4.688036 1.757854 0.000000 6.224020 7.389112 4.794360 4.555510 5.229853 4.468725 3.474386 6.652473 5.736809 5.527947 2.166408 4.397244 4.138290 6.128700 6.950678 5.459472 1.089681 4.450406 8.708308 4.875200 6.767866 7.228923 6.143225 6.266762 4.775838 2.482598 2.459028 3.904417 7.187934 6.877901 7.708812 7.488181 6.149978 1.755274 1.761264 0.000000 2.355071 6.309685 2.517876 3.313941 4.535191 3.783974 4.133461 5.160233 4.554107 5.725504 4.136588 2.130496 5.104662 5.441025 4.997053 5.683210 3.714598 1.086962 7.189750 4.520299 4.624049 5.603736 6.085737 6.583928 5.750690 3.985926 5.219481 5.694515 6.220522 4.380056 5.531702 5.848503 6.592940 2.690439 4.303405 4.297890 0.000000 2.351645 6.233038 3.252889 2.681912 4.142498 2.469173 2.770242 4.947199 3.067819 4.989846 3.301662 2.213659 3.512408 3.742844 3.832917 3.937792 3.163466 1.085707 7.207954 4.471516 4.711776 5.117400 5.103576 6.001466 4.935533 3.519086 4.345823 4.212679 4.547768 3.560903 4.303624 4.757920 4.830526 2.420198 3.483995 4.095715 1.778880 0.000000 6.730279 2.078534 5.513357 5.051354 4.038209 5.916887 7.074681 2.644317 5.917654 4.393089 7.553393 5.647444 8.069589 7.097570 5.027615 8.087003 8.732947 6.873917 1.098263 4.493222 3.014752 2.447430 4.375120 4.032893 5.466327 6.844088 8.026785 8.997412 7.396838 4.656860 5.762765 4.317142 9.024368 8.551010 9.517112 9.244683 7.604261 7.426071 0.000000 6.261540 2.077138 4.644412 4.947382 4.030340 6.120522 7.256421 2.633897 6.380241 4.881862 7.502932 5.126141 8.432649 7.706159 5.573062 8.635134 8.471335 6.375821 1.097394 4.146128 2.428506 3.012487 5.172889 4.610830 5.864745 6.657286 8.108068 9.332792 8.137837 4.896453 6.359884 5.165230 9.655023 8.140395 9.364325 8.874778 6.897794 7.135994 1.772662 0.000000 7.652489 2.019112 5.690682 5.649549 4.389534 6.709002 7.685239 3.254818 7.031155 4.752406 7.831363 6.113584 8.813116 8.260838 6.387245 9.075250 8.980836 7.511540 1.089364 4.427933 3.588395 3.599262 5.088046 4.110524 5.698337 6.956718 8.220939 9.632020 8.719127 5.948602 7.246959 5.757333 10.056000 8.851335 9.879600 9.296205 8.075066 8.147088 1.772669 1.772380 0.000000 C15H22ClNO2 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 0 261.61899999999986 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;4;2;3;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3391,3.2311,.6751;3.799,-1.0667,-.3391;1.1515,1.5731,-1.7864;.3022,.0206,-.3726;1.4551,-.8649,-.6328;-.848,-.4669,.3149;-1.8793,-1.0601,-.4247;2.6833,-.3591,.1242;-.9268,-.3631,1.7077;1.1652,-2.3171,-.2916;-1.8266,-1.2138,-1.9239;.2857,1.2264,-1.0139;-3.0032,-1.5226,.251;-2.0701,-.8345,2.344;.1866,.204,2.5371;-3.1039,-1.4075,1.6254;-2.7606,-.2584,-2.6639;-.8514,2.1837,-.6816;4.9851,-.6797,.2886;1.6825,-.7953,-1.7004;2.8112,.7186,-.0357;2.5429,-.5163,1.2042;.9332,-2.4566,.7649;2.0489,-2.9096,-.5201;.3375,-2.7226,-.8717;-.8117,-1.0828,-2.2986;-2.1072,-2.2405,-2.1729;-3.8059,-1.9857,-.3111;-2.146,-.7505,3.421;.7361,.989,2.0254;-.2004,.6226,3.4649;.8996,-.5771,2.8099;-3.9849,-1.7709,2.138;-2.478,.7833,-2.5129;-3.7928,-.3693,-2.3315;-2.7336,-.449,-3.7365;-1.0193,2.8253,-1.5428;-1.7821,1.7082,-.3875;4.9605,-.8585,1.372;5.2105,.3827,.1314;5.7977,-1.268,-.1359; 0.4032173 0.2701050 0.2437176 -101.54810 -19.13030 -19.09887 -14.35479 -10.28362 -10.23817 -10.22147 -10.21706 -10.21575 -10.21268 -10.19716 -10.19606 -10.18650 -10.18517 -10.18306 -10.18202 -10.17321 -10.17244 -10.16479 -9.46295 -7.22774 -7.21763 -7.21731 -1.06143 -1.05137 -0.96393 -0.87552 -0.86803 -0.81420 -0.79830 -0.77681 -0.74471 -0.71925 -0.70924 -0.70182 -0.65922 -0.65494 -0.62700 -0.61208 -0.58950 -0.56384 -0.52765 -0.51985 -0.50804 -0.49297 -0.49046 -0.48126 -0.46603 -0.45927 -0.45665 -0.44697 -0.44459 -0.43503 -0.43127 -0.42706 -0.42229 -0.41196 -0.40331 -0.40179 -0.39485 -0.39149 -0.38345 -0.37106 -0.36293 -0.36132 -0.35483 -0.35133 -0.34863 -0.32980 -0.31665 -0.30625 -0.27785 -0.26600 -0.26372 -0.25868 -0.25676 -0.03607 -0.03017 -0.02227 -0.00471 0.00459 0.00864 0.01049 0.01842 0.02378 0.02895 0.03237 0.03954 0.04064 0.04702 0.04964 0.05283 0.05548 0.05674 0.06429 0.06733 0.07278 0.07721 0.08125 0.08520 0.08730 0.08824 0.09306 0.09593 0.10057 0.10336 0.10973 0.11497 0.11685 0.11999 0.12344 0.12661 0.12864 0.13243 0.13426 0.13794 0.14244 0.14634 0.15060 0.15084 0.15429 0.16118 0.16218 0.16599 0.16974 0.17408 0.17537 0.17784 0.18091 0.18339 0.18869 0.19104 0.19287 0.19571 0.19875 0.20014 0.20661 0.20951 0.21128 0.21451 0.21796 0.21846 0.22190 0.22363 0.22830 0.23040 0.23878 0.23995 0.24218 0.24259 0.24634 0.25013 0.25594 0.25840 0.25998 0.26101 0.26223 0.27171 0.27431 0.27781 0.28300 0.28737 0.29083 0.29231 0.29637 0.30011 0.30109 0.30842 0.31367 0.31763 0.32283 0.32918 0.33587 0.34058 0.34221 0.34884 0.35260 0.36654 0.37619 0.37952 0.38418 0.38483 0.39391 0.39631 0.39918 0.40587 0.41240 0.41643 0.42920 0.43429 0.43621 0.43988 0.44704 0.45908 0.47016 0.47319 0.47679 0.48437 0.49383 0.50403 0.51045 0.51653 0.51779 0.52337 0.53030 0.53543 0.54048 0.54514 0.55099 0.55784 0.56116 0.57122 0.57718 0.58186 0.58566 0.59332 0.60442 0.60673 0.61313 0.61977 0.62406 0.63256 0.64427 0.64977 0.65341 0.65826 0.66288 0.67079 0.67136 0.68155 0.68953 0.69076 0.69741 0.70149 0.70426 0.70673 0.70807 0.71795 0.72223 0.73056 0.73572 0.74060 0.74250 0.74631 0.75148 0.76028 0.76383 0.76711 0.77001 0.77926 0.78541 0.78753 0.79313 0.79991 0.81075 0.82581 0.83448 0.84094 0.84832 0.85473 0.87197 0.88184 0.89405 0.91105 0.92184 0.93490 0.94375 0.94702 0.95320 0.95812 0.96737 0.96962 0.99356 0.99926 1.00932 1.01487 1.02653 1.03102 1.04290 1.05824 1.06529 1.07179 1.08307 1.08975 1.10571 1.11320 1.12680 1.13171 1.14534 1.14899 1.15815 1.17918 1.20857 1.21544 1.22260 1.23605 1.24370 1.26632 1.28011 1.28308 1.29260 1.30064 1.30396 1.32019 1.33863 1.35388 1.36399 1.36608 1.40533 1.41129 1.42171 1.43002 1.44473 1.44875 1.46984 1.47831 1.48263 1.49269 1.49621 1.50620 1.52010 1.52253 1.53336 1.54355 1.54786 1.55694 1.56378 1.56707 1.57269 1.57794 1.58867 1.59240 1.59528 1.59719 1.60619 1.61486 1.61775 1.62719 1.63456 1.64304 1.64571 1.66049 1.66415 1.66885 1.67485 1.68184 1.69068 1.69408 1.70140 1.71112 1.72552 1.74160 1.74530 1.75015 1.75356 1.76043 1.77639 1.78008 1.80271 1.81176 1.81967 1.82229 1.83835 1.84402 1.85824 1.86572 1.87170 1.87493 1.89241 1.90062 1.90537 1.91980 1.92754 1.93384 1.94595 1.95796 1.96313 1.97734 1.99592 2.01227 2.01545 2.03667 2.05227 2.06134 2.08126 2.08698 2.10972 2.12135 2.12457 2.12571 2.13954 2.15161 2.16912 2.17818 2.19869 2.20126 2.21325 2.22240 2.22643 2.24347 2.25761 2.28263 2.29135 2.30694 2.31797 2.32633 2.33469 2.35594 2.36659 2.37929 2.39309 2.40620 2.40868 2.42418 2.43747 2.44791 2.48002 2.48147 2.48948 2.49217 2.49431 2.50540 2.51621 2.52570 2.53518 2.54472 2.55251 2.55882 2.56758 2.57517 2.58312 2.58973 2.59613 2.60818 2.62443 2.62810 2.63740 2.64632 2.65679 2.66185 2.67125 2.68908 2.70651 2.71077 2.71291 2.71928 2.73627 2.74086 2.75668 2.76454 2.77796 2.78889 2.80302 2.81149 2.82591 2.83843 2.84764 2.86145 2.86581 2.87240 2.88942 2.90323 2.91053 2.92829 2.94370 2.96055 2.96885 2.98087 2.98957 3.01307 3.02798 3.04416 3.04760 3.06102 3.07645 3.09703 3.13182 3.16845 3.17882 3.20170 3.23316 3.24414 3.25772 3.26874 3.28873 3.31376 3.32138 3.35706 3.39584 3.41169 3.45071 3.45729 3.48813 3.51204 3.59069 3.62852 3.68604 3.70695 3.77483 3.79514 3.80083 3.80520 3.81086 3.81387 3.82290 3.82897 3.83852 3.84223 3.85732 3.86313 3.91460 4.01220 4.03991 4.09725 4.11274 4.11972 4.15543 4.17532 4.21233 4.23218 4.32608 4.35112 4.38756 4.86644 4.92279 5.03951 5.07791 5.16244 5.27996 5.43237 5.73828 5.82672 9.83549 23.62955 23.83255 23.84315 23.89610 23.90344 23.92659 23.94915 23.95762 23.97643 24.01310 24.02510 24.03309 24.11126 24.11730 24.20990 25.98253 26.11615 26.58819 35.64029 49.95488 50.06416 215.83908 1-A. -2.2113 -2.6008 1.7603 3.8409 -115.3931 -131.9180 -121.6923 0.6520 8.8684 1.8605 7.6081 -8.9169 1.3088 0.6520 8.8684 1.8605 43.1022 -2.0134 14.4857 -3.8338 -7.7054 15.5188 -13.3160 -5.6531 -7.1739 8.2866 -3470.4644 -2049.2088 -1581.2970 37.3148 25.3906 -23.8350 12.1499 -8.3750 27.0457 -960.2580 -900.3222 -602.8919 -14.5068 30.2072 -7.7042 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 261.61899999999986 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;4;2;3;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3531,2.8285,.9018;-3.8317,.2846,-1.1835;-1.4412,1.1347,1.8981;-.4394,-.0455,.2244;-1.7765,-.4895,-.267;.7687,-.6594,-.2687;1.2634,-1.8022,.3877;-2.4849,.675,-.97;1.4197,-.1205,-1.3915;-1.6954,-1.7153,-1.1711;.5611,-2.4276,1.5772;-.4247,.7809,1.3203;2.4477,-2.3777,-.08;2.6049,-.7242,-1.8221;.8589,1.0507,-2.1575;3.1199,-1.8404,-1.172;1.2505,-2.1421,2.9227;.9323,1.3003,1.7946;-4.62,1.3116,-1.7548;-2.3742,-.7263,.6176;-2.4404,1.5702,-.3395;-1.9965,.8942,-1.9304;-1.0925,-1.5194,-2.0613;-2.7079,-1.9644,-1.4903;-1.2706,-2.5775,-.6555;-.4757,-2.0927,1.6286;.5302,-3.5109,1.4211;2.839,-3.2597,.4166;3.1253,-.311,-2.6795;.3129,1.7374,-1.5142;1.6587,1.6072,-2.6496;.1723,.7014,-2.9364;4.0398,-2.2955,-1.5216;1.2161,-1.0798,3.1739;2.3001,-2.4464,2.9;.755,-2.687,3.7303;.8386,1.5671,2.8434;1.7583,.6161,1.6308;-4.236,1.6126,-2.7406;-4.6553,2.1979,-1.1061;-5.6294,.916,-1.8728; 0.000000 6.140142 0.000000 3.416087 3.991566 0.000000 3.454235 3.687619 2.279874 0.000000 4.708413 2.379635 2.727230 1.492126 0.000000 3.725191 4.784484 3.577357 1.442034 2.550880 0.000000 4.659928 5.725575 4.268611 2.451879 3.375295 1.407589 0.000000 4.782393 1.418361 3.086448 2.475818 1.533560 3.585842 4.693473 0.000000 3.736364 5.271119 4.536773 2.464395 3.408343 1.405398 2.453178 4.007086 0.000000 5.851135 2.926275 4.195987 2.512549 1.525282 2.828597 3.345390 2.525252 3.506600 0.000000 5.358101 5.854331 4.099006 2.916356 3.552705 2.564501 1.516334 5.039013 3.856593 3.626573 0.000000 2.743750 4.257062 1.221622 1.372666 2.441463 2.454296 3.223559 3.082362 3.401259 3.748652 3.366294 0.000000 5.409830 6.909123 5.601197 3.723840 4.630823 2.409798 1.397379 5.868681 2.805685 4.335304 2.511592 4.493121 0.000000 4.648494 6.546344 5.802281 3.730469 4.655116 2.406027 2.800881 5.346932 1.398002 4.460800 4.316707 4.617196 2.407034 0.000000 3.572707 4.851532 4.663213 2.925872 3.590485 2.549565 3.844502 3.568283 1.507601 3.892090 5.112232 3.716935 4.312088 2.512178 0.000000 5.405592 7.269092 6.251400 4.223711 5.159331 2.781845 2.425007 6.146657 2.428319 4.816940 3.801329 5.064237 1.390298 1.390619 3.800199 0.000000 5.366671 6.969753 4.362620 3.812116 4.697676 3.551830 2.557760 6.086187 4.767444 5.061555 1.538558 3.730655 3.241167 5.134062 6.012980 4.511347 0.000000 1.819200 5.709286 2.381550 2.481615 3.845929 2.850360 3.422597 4.439729 3.522499 4.979334 3.752595 1.528453 4.397525 4.469581 3.960693 4.842531 3.636470 0.000000 6.710910 1.415200 4.845572 4.820450 3.680081 5.927209 6.992852 2.362213 6.217836 4.249250 7.206090 5.228648 8.146710 7.506530 5.499900 8.377400 8.262576 6.589901 0.000000 5.158479 2.527810 2.444043 2.088443 1.093544 3.266160 3.800289 2.120396 4.335633 2.153600 3.525775 2.562434 5.144378 5.544685 4.616494 5.884619 4.522868 4.052836 3.850349 0.000000 4.185059 2.073783 2.488955 2.632968 2.165195 3.908246 5.061536 1.095815 4.343465 3.469944 5.353939 2.727836 6.288606 5.737328 3.802676 6.575826 6.168124 4.000316 2.611626 2.488836 0.000000 4.793969 2.073037 3.875963 2.819693 2.174806 3.580681 4.823942 1.099564 3.604244 2.734367 5.466126 3.612509 5.820680 4.878885 2.868694 5.850686 6.581374 4.755861 2.662312 3.043179 1.784564 0.000000 5.802202 3.395327 4.779424 2.797050 2.179075 2.723463 3.409939 2.818742 2.952462 1.092925 4.098522 4.144025 4.146737 3.789482 3.228451 4.317192 5.542374 5.188367 4.533462 3.073834 3.785119 2.580740 0.000000 6.722031 2.532794 4.763390 3.430517 2.130599 3.909231 4.395918 2.699415 4.521874 1.090461 4.506687 4.544143 5.360986 5.465704 4.717883 5.837797 5.930836 5.890680 3.802463 2.467269 3.726821 2.978557 1.770212 0.000000 6.207491 3.876715 4.508842 2.806372 2.183244 2.826164 2.847873 3.485899 3.717049 1.090689 2.891796 3.987199 3.767907 4.451405 4.467030 4.481800 4.398742 5.088491 5.248991 2.503068 4.320988 3.768925 1.768467 1.771571 0.000000 5.300029 4.982130 3.379461 2.482733 2.802820 2.683727 2.156055 4.295259 4.074739 3.077045 1.090730 2.890513 3.398055 4.823918 5.098682 4.564533 2.157955 3.677259 6.341321 2.548237 4.598930 4.888841 3.784790 3.837535 2.466571 0.000000 6.413648 6.341563 5.069075 3.792266 4.159319 3.323179 2.127349 5.685916 4.494191 3.859679 1.094982 4.397912 2.686018 4.752815 5.807173 4.027617 2.155737 4.842420 7.737456 4.103071 6.143438 6.084582 4.327439 4.620952 2.902869 1.751052 0.000000 6.285647 7.721428 6.310789 4.595208 5.426316 3.393725 2.146643 6.763759 3.890825 5.046513 2.688575 5.272092 1.085217 3.390520 5.396889 2.148708 3.170671 5.131097 9.013855 5.799689 7.195264 6.793069 4.962425 6.006875 4.301643 3.717287 2.530439 0.000000 5.081657 7.140895 6.625527 4.605439 5.466240 3.389245 3.885589 5.947198 2.145706 5.242781 5.401320 5.458312 3.389334 1.084715 2.695044 2.147451 6.184873 5.236749 7.967301 6.425562 6.323869 5.314751 4.430827 6.178533 5.343904 5.890760 5.812864 4.285143 0.000000 2.847686 4.404295 3.883785 2.601431 3.298510 2.739309 4.129022 3.041853 2.166078 4.009030 5.192797 3.081106 4.852656 3.377488 1.087935 4.560346 5.967881 3.394527 4.957122 4.223155 2.998080 2.493505 3.589124 4.778047 4.675790 5.016826 6.017346 5.922866 3.669285 0.000000 3.767982 5.834630 5.523970 3.923416 4.676888 3.405635 4.583101 4.567236 2.150490 4.947211 5.945556 4.558881 4.806723 2.648632 1.091541 4.025433 6.728637 4.513658 6.349014 5.690691 4.705342 3.792869 4.206049 5.759127 5.483462 6.045454 6.636236 5.872084 2.414826 1.765580 0.000000 4.544325 4.390713 5.115033 3.304951 3.513078 3.053565 4.302054 3.305813 2.148996 3.527767 5.505823 4.299110 4.776750 3.031714 1.095523 4.273415 6.601310 4.828986 4.973402 4.599340 3.784799 2.398527 2.701397 4.182514 4.246800 5.391290 6.071245 5.834762 3.132290 1.765210 1.764109 0.000000 6.272680 8.290456 7.314532 5.307940 6.218175 3.866113 3.405525 7.190274 3.407693 5.775191 4.660656 6.121477 2.149392 2.149033 4.660405 1.084284 5.249400 5.795154 9.383950 6.941070 7.637662 6.839482 5.218660 6.755935 5.388008 5.509528 4.738675 2.475556 2.472860 5.491276 4.708806 5.093197 0.000000 4.522794 6.806484 3.686914 3.536948 4.598276 3.496875 2.878679 5.826513 4.669567 5.268711 2.189723 3.096822 3.713329 5.197613 5.752413 4.805102 1.092111 2.765466 8.004484 4.421558 5.721606 6.345953 5.738504 6.159141 4.805294 2.505202 3.074552 3.871451 6.204662 5.543491 6.428738 6.449641 5.612360 0.000000 5.719599 7.856940 5.274995 4.519730 5.520726 3.947041 2.793152 6.900417 4.960085 5.750854 2.185035 4.509474 2.984450 5.035637 6.315468 4.197663 1.093091 4.138892 9.147581 5.478808 7.007126 7.276886 6.081442 6.677361 5.040717 3.073532 2.540266 2.668187 6.030894 6.398291 6.902256 6.964191 4.753973 1.765639 0.000000 6.227236 7.349391 4.773477 4.549253 5.216964 4.483677 3.494942 6.625159 5.767361 5.565300 2.177367 4.384782 4.180824 6.172871 6.974792 5.508331 1.092964 4.435858 8.658367 4.829675 6.700616 7.241528 6.190311 6.306265 4.832261 2.507031 2.462055 3.956219 7.235270 6.875730 7.743388 7.501080 6.206928 1.762180 1.770443 0.000000 2.371748 6.298549 2.505664 3.330613 4.554429 3.827172 4.190782 5.136452 4.595672 5.771565 4.199730 2.129280 5.166879 5.489690 5.027501 5.739171 3.732867 1.086185 7.141794 4.531686 4.569771 5.592769 6.108365 6.620438 5.819647 4.073970 5.282465 5.760988 6.265648 4.392418 5.553989 5.882116 6.649838 2.694082 4.271703 4.346411 0.000000 2.364330 6.267144 3.252259 2.691722 4.161550 2.492828 2.763715 4.977117 3.129156 5.021306 3.271095 2.211072 3.516371 3.799446 3.917744 3.967835 3.087842 1.084981 7.254540 4.461611 4.735090 5.182392 5.130212 6.028836 4.959831 3.511141 4.310992 4.202878 4.615932 3.638258 4.394741 4.835467 4.860082 2.356108 3.359096 4.040438 1.794583 0.000000 6.781115 2.086106 5.436587 5.094588 4.072640 6.026564 7.189550 2.660964 6.067204 4.471322 7.614351 5.631056 8.226380 7.287094 5.158878 8.276034 8.733401 6.883109 1.099904 4.496021 2.998522 2.487563 4.489176 4.085766 5.540545 6.852664 8.141686 9.152238 7.608740 4.713019 5.895398 4.505749 9.233010 8.482690 9.540055 9.234184 7.545501 7.485530 0.000000 6.366325 2.084528 4.526123 4.957548 4.026608 6.187535 7.298124 2.654929 6.508674 4.906959 7.470343 5.078733 8.511296 7.858871 5.729612 8.761620 8.363334 6.359346 1.098915 4.089701 2.426428 3.073828 5.236887 4.611421 5.870551 6.584613 8.115857 9.395191 8.325175 5.006201 6.526722 5.375462 9.796375 7.970928 9.273424 8.747888 6.795544 7.150282 1.786080 0.000000 7.753157 2.026286 5.639878 5.679720 4.404410 6.781676 7.746525 3.280436 7.141196 4.784602 7.836096 6.107652 8.905214 8.396219 6.495989 9.199961 8.926472 7.526877 1.090584 4.415391 3.598438 3.633465 5.152735 4.120499 5.717103 6.919035 8.269728 9.715596 8.877031 6.009571 7.361914 5.902317 10.194686 8.735790 9.846975 9.227043 8.031300 8.181865 1.783240 1.783270 0.000000 C15H22ClNO2 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 0 261.61899999999986 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;4;2;3;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4756,3.2263,.5988;3.8471,-1.0548,-.2306;1.2183,1.4984,-1.8127;.3157,.0005,-.35;1.4927,-.8971,-.5383;-.8685,-.4681,.3263;-1.8749,-1.0979,-.4299;2.7115,-.3157,.1887;-.993,-.3013,1.7162;1.2172,-2.3312,-.0979;-1.7505,-1.3257,-1.9238;.3186,1.1816,-1.0495;-3.0306,-1.5277,.2276;-2.1684,-.7407,2.3326;.1101,.2939,2.5539;-3.1824,-1.345,1.5974;-2.6075,-.3674,-2.769;-.846,2.1435,-.8154;5.058,-.5595,.309;1.7327,-.8818,-1.6051;2.8262,.743,-.0694;2.583,-.4024,1.2773;.9596,-2.3838,.9629;2.1255,-2.9124,-.2597;.4062,-2.7863,-.6678;-.709,-1.2449,-2.2376;-2.06,-2.3542,-2.1366;-3.8135,-2.0158,-.3439;-2.284,-.6066,3.4028;.6836,1.0391,2.0066;-.2986,.7674,3.4484;.8025,-.4891,2.882;-4.0863,-1.6803,2.0936;-2.2697,.6665,-2.6699;-3.6571,-.4065,-2.4663;-2.548,-.6325,-3.8277;-.9277,2.7859,-1.6875;-1.7902,1.6599,-.588;5.0586,-.6081,1.4078;5.2373,.4807,.0032;5.863,-1.1874,-.0745; 0.4033974 0.2651659 0.2413549 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= 576 576 576 576 576 MxSgAt= 41 MxSgA2= 41. 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= 558 RedAO= T EigKep= 2.67D-06 NBF= 558 NBsUse= 555 1.00D-06 EigRej= 9.31D-07 NBFU= 555 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= 576 576 576 576 576 MxSgAt= 41 MxSgA2= 41. 1 -8.69977304e-01 -1.02324130e+00 6.92547343e-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 17 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.003419363 0.009691079 -0.004356036 -0.003641593 -0.008180393 0.002280396 -0.013817448 0.004666334 0.007960258 -0.001062413 0.001791486 0.000750892 -0.004798271 -0.003258507 -0.000129520 0.003894579 -0.002169421 -0.002292399 -0.000909589 -0.001705259 0.001726906 0.009411452 0.005002259 0.000803572 -0.000292995 0.002627538 -0.001877013 -0.000786556 -0.004714563 -0.002278413 -0.003937213 -0.001809964 0.000221293 0.008476178 -0.001794850 -0.001670071 0.002328107 -0.004416532 0.001972510 0.002959656 0.001701081 -0.004090081 -0.001428365 0.003820186 -0.001691314 0.004381903 -0.002418670 -0.001689466 0.001538440 0.000747392 0.004285940 0.002490512 -0.007237393 0.006439684 -0.008384236 0.007512651 -0.005597678 -0.000137562 0.001610061 0.000392782 -0.000203748 -0.000465257 0.001780737 -0.000917936 -0.000834831 -0.000767898 0.001232667 0.001112458 -0.000977113 -0.002065919 0.000873631 -0.000292742 0.000972409 -0.000373615 0.001142863 -0.000585257 0.001244237 -0.000515883 0.000192845 -0.001557959 -0.000548379 0.000205347 -0.000807783 0.000615349 0.000577995 0.000622250 -0.000972027 -0.000879437 0.000046982 0.001441043 0.001634514 0.000730386 -0.000771089 -0.001377887 -0.000959516 -0.001275486 0.001352675 -0.000647389 -0.000541877 -0.000147656 0.002040040 -0.000062873 0.001932127 -0.000669464 -0.000675743 -0.001140015 -0.001191054 0.001784817 -0.001449437 0.000559331 0.000005863 -0.000501263 -0.000169136 -0.001404343 0.001795658 -0.000765057 -0.001542225 0.000660468 0.000998723 0.002094978 -0.000992098 -0.001251491 0.000319784 0.013817448 0.003206737 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1250.54005624969 -1250.54005670396 -0.000000454268 -1250.54005669942 0.000000004533 -1250.54005671115 -0.000000011729 -1250.54005671189 -0.000000000736 -1250.54005671197 -0.000000000080 -1250.54005671197 -0.000000000007 -1250.54005671196 0.000000000016 -1250.54005671 8 1.245967243250e+03 -6.329215380819e+03 2.134561219020e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3774191901 LenY= 3773858395 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) PT111981.900S 2022-11-12T01:59:02.000 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 Cl O O N 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 0.102683 -0.159235 -0.234725 0.342038 -0.406461 0.121884 0.266802 -0.052744 0.055473 -0.450089 -0.230085 0.197291 -0.457552 -0.288738 -0.465763 -0.134370 -0.572667 -0.848315 -0.227119 0.201510 0.163613 0.117556 0.167092 0.174609 0.141832 0.162392 0.154008 0.120792 0.120128 0.161469 0.151320 0.171295 0.126145 0.140588 0.140780 0.149087 0.238100 0.242593 0.122136 0.128964 0.145679 -0.00000 -101.54792 -19.12850 -19.10098 -14.35732 -10.28691 -10.24126 -10.22468 -10.21911 -10.21626 -10.21368 -10.20017 -10.19909 -10.18909 -10.18726 -10.18560 -10.18463 -10.17520 -10.17421 -10.16643 -9.46226 -7.22710 -7.21696 -7.21667 -1.05613 -1.04019 -0.95798 -0.87219 -0.86117 -0.81132 -0.79555 -0.77492 -0.74294 -0.71686 -0.70965 -0.70066 -0.65838 -0.65369 -0.62488 -0.60986 -0.58844 -0.56197 -0.52445 -0.51694 -0.50558 -0.49033 -0.48724 -0.47806 -0.46328 -0.45747 -0.45294 -0.44665 -0.44374 -0.43401 -0.43018 -0.42558 -0.42084 -0.41173 -0.40327 -0.40205 -0.39418 -0.39109 -0.38315 -0.37038 -0.36225 -0.36102 -0.35470 -0.35163 -0.34876 -0.32811 -0.31650 -0.30681 -0.27787 -0.26547 -0.26431 -0.25881 -0.25685 -0.03971 -0.03218 -0.02667 -0.00465 0.00479 0.00859 0.01050 0.01830 0.02357 0.02867 0.03246 0.03908 0.03995 0.04614 0.04921 0.05258 0.05550 0.05594 0.06347 0.06711 0.07071 0.07611 0.08051 0.08417 0.08719 0.08824 0.09259 0.09530 0.09936 0.10300 0.10757 0.11376 0.11532 0.11882 0.12327 0.12539 0.12784 0.13210 0.13272 0.13706 0.14200 0.14458 0.14822 0.14921 0.15181 0.16025 0.16149 0.16489 0.16972 0.17270 0.17510 0.17673 0.18005 0.18314 0.18670 0.18860 0.19113 0.19464 0.19770 0.19964 0.20441 0.20800 0.21045 0.21319 0.21498 0.21660 0.22005 0.22256 0.22728 0.22908 0.23730 0.23856 0.23977 0.24080 0.24521 0.24832 0.25257 0.25513 0.25826 0.26038 0.26262 0.26808 0.27209 0.27474 0.28153 0.28415 0.28859 0.28960 0.29531 0.29759 0.29882 0.30547 0.31373 0.31598 0.31777 0.32606 0.33444 0.33858 0.34188 0.34629 0.35093 0.36214 0.37394 0.37521 0.38162 0.38304 0.39201 0.39525 0.39635 0.40344 0.41027 0.41421 0.42768 0.43212 0.43451 0.43790 0.44561 0.45632 0.46691 0.47099 0.47643 0.48145 0.49414 0.50128 0.51108 0.51283 0.51699 0.52286 0.52486 0.53860 0.53991 0.54527 0.55100 0.55390 0.55913 0.56705 0.57812 0.58157 0.58414 0.59181 0.60332 0.60559 0.61180 0.61631 0.62026 0.63639 0.64154 0.64799 0.65347 0.65711 0.66136 0.66765 0.67065 0.67889 0.68353 0.68999 0.69749 0.69960 0.70191 0.70299 0.70622 0.71324 0.71968 0.72509 0.73267 0.73549 0.73977 0.74497 0.75041 0.75718 0.76173 0.76754 0.76869 0.77815 0.78207 0.78585 0.79272 0.79563 0.81076 0.82667 0.83793 0.84001 0.84649 0.85274 0.86759 0.88176 0.88868 0.90695 0.91868 0.92925 0.93726 0.95204 0.95266 0.95354 0.96505 0.97205 0.99454 1.00030 1.00651 1.01480 1.02276 1.02534 1.03934 1.05311 1.06189 1.06792 1.08054 1.08523 1.10195 1.11210 1.12287 1.13021 1.13779 1.14421 1.15776 1.17641 1.20305 1.21266 1.21953 1.23935 1.24047 1.26526 1.27682 1.28231 1.28720 1.30185 1.30542 1.31772 1.33905 1.34829 1.36343 1.36536 1.40016 1.40771 1.42035 1.42580 1.44111 1.44500 1.47115 1.47804 1.48490 1.48740 1.49466 1.50269 1.51503 1.52209 1.52794 1.53652 1.54022 1.55342 1.56011 1.56387 1.56751 1.57283 1.58450 1.58656 1.58852 1.59383 1.60258 1.60936 1.61132 1.62369 1.62708 1.63958 1.64255 1.65645 1.66160 1.66517 1.66867 1.67432 1.68545 1.69001 1.69714 1.70669 1.72082 1.73546 1.73989 1.74368 1.75067 1.75314 1.77074 1.77363 1.79691 1.80556 1.80972 1.81526 1.83418 1.83727 1.84897 1.85969 1.86312 1.86787 1.88894 1.89572 1.89622 1.91212 1.92031 1.92779 1.94297 1.95233 1.95948 1.96988 1.99046 2.00367 2.00763 2.02782 2.04697 2.04948 2.07554 2.07758 2.10473 2.11635 2.11772 2.12296 2.12860 2.14414 2.15985 2.16781 2.19167 2.19579 2.20695 2.21423 2.21620 2.23134 2.24573 2.27144 2.28224 2.29985 2.30857 2.31845 2.33007 2.34937 2.35948 2.37357 2.38815 2.40004 2.40566 2.41933 2.43456 2.43868 2.47234 2.47343 2.48705 2.48810 2.49192 2.50017 2.50949 2.51944 2.53300 2.54009 2.54622 2.55291 2.56065 2.56865 2.57774 2.58432 2.58923 2.60869 2.61843 2.62290 2.63103 2.63828 2.64545 2.65683 2.66721 2.68391 2.69554 2.70463 2.70831 2.71489 2.72811 2.73551 2.74747 2.76192 2.77514 2.78233 2.79581 2.80093 2.80986 2.82773 2.84078 2.85122 2.85752 2.86101 2.87805 2.89533 2.89926 2.92211 2.93402 2.95207 2.96021 2.96670 2.97685 2.99485 3.01638 3.02633 3.03395 3.04882 3.06200 3.08293 3.11892 3.16028 3.16610 3.18879 3.22045 3.22377 3.23781 3.25627 3.26263 3.28822 3.29932 3.33657 3.37947 3.39379 3.43305 3.44042 3.46830 3.48845 3.57356 3.60675 3.66958 3.69373 3.77257 3.78886 3.79168 3.79705 3.80290 3.80616 3.81945 3.82527 3.82887 3.84182 3.85164 3.86127 3.90370 3.99922 4.02825 4.08507 4.10047 4.11174 4.13881 4.16621 4.19388 4.21388 4.31068 4.33535 4.37305 4.85106 4.89212 5.01443 5.07633 5.15824 5.27379 5.41003 5.70247 5.81369 9.83138 23.62053 23.82318 23.83180 23.88113 23.88954 23.91545 23.93360 23.93568 23.96001 23.99607 24.01102 24.02112 24.08708 24.09398 24.18016 25.97772 26.11536 26.57000 35.62222 49.95067 50.05155 215.83486 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 Cl O O N 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 0.074663 -0.173752 -0.239113 0.347738 -0.377951 0.135214 0.251822 -0.076426 0.048373 -0.446460 -0.222392 0.173560 -0.481445 -0.296426 -0.478225 -0.118651 -0.565464 -0.800031 -0.221045 0.202022 0.165096 0.123688 0.166365 0.175912 0.142112 0.161035 0.151296 0.122480 0.122014 0.163554 0.152190 0.172924 0.127805 0.143830 0.141727 0.149524 0.238330 0.241304 0.124009 0.132106 0.146687 -0.00000 -8.49799299e-01 -9.73847484e-01 6.60965544e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.1600 -2.4753 1.6800 3.6898 -115.5450 -132.1327 -121.3227 1.7456 8.6535 2.0856 7.4551 -9.1325 1.6774 1.7456 8.6535 2.0856 44.8979 -2.8432 14.9471 -2.7637 -6.4285 15.9885 -14.1552 -3.5320 -8.7505 7.7229 -3513.2292 -2034.6523 -1606.8266 49.4007 19.8464 -19.5963 12.2235 -7.6764 29.7074 -977.0860 -912.2793 -600.5969 -12.0037 30.0812 -12.0833 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1250.5400567 6.177E-9 3.162E-6 -0.1261066,-1.4663338,1.5924404,-4.3156851,4.1218892,-6.8339959 C01 [X(C15H22Cl1N1O2)] 0.7848762 -0.9492811 -0.7682759 0.000002544 0.000011379 -0.000005997 -0.000001796 -0.000002941 0.000001244 0.000006747 -0.000000927 -0.000003825 0.000006787 -0.000005543 0.000006688 -0.000004726 0.000003339 -0.000006413 -0.000004958 0.000004488 0.000000965 -0.000002485 0.000000699 -0.000001651 0.000004217 -0.000004207 0.000001157 0.000001423 0.000000870 -0.000000853 0.000000908 0.000004843 0.000004512 0.000001819 0.000002240 -0.000001658 -0.000006242 0.000002525 -0.000003843 0.000002597 -0.000001351 -0.000001104 -0.000002800 0.000004587 -0.000000168 0.000000611 -0.000003765 0.000001503 -0.000000199 -0.000001946 0.000002669 -0.000001454 0.000000437 -0.000001978 -0.000006561 -0.000017324 0.000008110 -0.000000656 0.000002132 -0.000002583 0.000000923 -0.000000512 0.000000734 -0.000000843 -0.000000026 -0.000000324 -0.000000941 -0.000000246 0.000000911 0.000000110 -0.000000870 -0.000000244 0.000000318 -0.000002147 -0.000000267 -0.000000317 -0.000001365 -0.000000833 0.000000322 -0.000001521 0.000001399 0.000001786 0.000000413 0.000002137 -0.000000316 0.000000302 0.000000022 0.000000806 -0.000000058 0.000000813 0.000000128 0.000001525 -0.000001424 -0.000000903 0.000000082 -0.000001207 -0.000000486 -0.000001252 0.000000164 0.000000315 0.000000925 0.000000205 0.000000710 0.000000088 0.000000944 0.000000760 0.000000684 0.000000135 0.000000403 0.000001831 0.000001069 0.000001325 0.000002802 -0.000000935 0.000001861 0.000004202 -0.000000002 -0.000000627 -0.000001813 0.000000410 -0.000000509 -0.000001727 -0.000000367 -0.000000600 -0.000000849 -0.000000114 261.61899999999986 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;4;2;3;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3531,2.8285,.9018;-3.8317,.2846,-1.1835;-1.4412,1.1347,1.8981;-.4394,-.0455,.2244;-1.7765,-.4895,-.267;.7687,-.6594,-.2687;1.2634,-1.8022,.3877;-2.4849,.675,-.97;1.4197,-.1205,-1.3915;-1.6954,-1.7153,-1.1711;.5611,-2.4276,1.5772;-.4247,.7809,1.3203;2.4477,-2.3777,-.08;2.6049,-.7242,-1.8221;.8589,1.0507,-2.1575;3.1199,-1.8404,-1.172;1.2505,-2.1421,2.9227;.9323,1.3003,1.7946;-4.62,1.3116,-1.7548;-2.3742,-.7263,.6176;-2.4404,1.5702,-.3395;-1.9965,.8942,-1.9304;-1.0925,-1.5194,-2.0613;-2.7079,-1.9644,-1.4903;-1.2706,-2.5775,-.6555;-.4757,-2.0927,1.6286;.5302,-3.5109,1.4211;2.839,-3.2597,.4166;3.1253,-.311,-2.6795;.3129,1.7374,-1.5142;1.6587,1.6072,-2.6496;.1723,.7014,-2.9364;4.0398,-2.2955,-1.5216;1.2161,-1.0799,3.1739;2.3001,-2.4464,2.9;.755,-2.687,3.7303;.8386,1.5671,2.8434;1.7583,.6161,1.6308;-4.236,1.6126,-2.7406;-4.6553,2.1979,-1.1061;-5.6294,.916,-1.8728; Gaussian 16 GINC-BELVIS19 APULGAR Optimization metolachlor CONF57 gas EM64L-G16RevC.01 117 C1[X(C15H22ClNO2)] 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 0 261.61899999999986 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;4;2;3;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3531,2.8285,.9018;-3.8317,.2846,-1.1835;-1.4412,1.1347,1.8981;-.4394,-.0455,.2244;-1.7765,-.4895,-.267;.7687,-.6594,-.2687;1.2634,-1.8022,.3877;-2.4849,.675,-.97;1.4197,-.1205,-1.3915;-1.6954,-1.7153,-1.1711;.5611,-2.4276,1.5772;-.4247,.7809,1.3203;2.4477,-2.3777,-.08;2.6049,-.7242,-1.8221;.8589,1.0507,-2.1575;3.1199,-1.8404,-1.172;1.2505,-2.1421,2.9227;.9323,1.3003,1.7946;-4.62,1.3116,-1.7548;-2.3742,-.7263,.6176;-2.4404,1.5702,-.3395;-1.9965,.8942,-1.9304;-1.0925,-1.5194,-2.0613;-2.7079,-1.9644,-1.4903;-1.2706,-2.5775,-.6555;-.4757,-2.0927,1.6286;.5302,-3.5109,1.4211;2.839,-3.2597,.4166;3.1253,-.311,-2.6795;.3129,1.7374,-1.5142;1.6587,1.6072,-2.6496;.1723,.7014,-2.9364;4.0398,-2.2955,-1.5216;1.2161,-1.0798,3.1739;2.3001,-2.4464,2.9;.755,-2.687,3.7303;.8386,1.5671,2.8434;1.7583,.6161,1.6308;-4.236,1.6126,-2.7406;-4.6553,2.1979,-1.1061;-5.6294,.916,-1.8728; Optimization metolachlor CONF57 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 35 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/metolachlor/gas/CONF57/opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 1 2 2 3 4 4 4 5 5 5 6 6 7 7 8 8 9 9 10 10 10 11 11 11 12 13 13 14 14 15 15 15 16 17 17 17 18 18 19 19 19 18 8 19 12 5 6 12 8 10 20 7 9 11 13 21 22 14 15 23 24 25 17 26 27 18 16 28 16 29 30 31 32 33 34 35 36 37 38 39 40 41 1.8192 1.4184 1.4152 1.2216 1.4921 1.442 1.3727 1.5336 1.5253 1.0935 1.4076 1.4054 1.5163 1.3974 1.0958 1.0996 1.398 1.5076 1.0929 1.0905 1.0907 1.5386 1.0907 1.095 1.5285 1.3903 1.0852 1.3906 1.0847 1.0879 1.0915 1.0955 1.0843 1.0921 1.0931 1.093 1.0862 1.085 1.0999 1.0989 1.0906 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 8 5 5 6 4 4 4 8 8 10 4 4 7 6 6 11 2 2 2 5 5 21 6 6 14 5 5 5 23 23 24 7 7 7 17 17 26 3 3 4 7 7 16 9 9 16 9 9 9 30 30 31 13 13 14 11 11 11 34 34 35 1 1 1 12 12 37 2 2 2 39 39 40 2 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 19 6 12 12 8 10 20 10 20 20 7 9 9 11 13 13 5 21 22 21 22 22 14 15 15 23 24 25 24 25 25 17 26 27 26 27 27 4 18 18 16 28 28 16 29 29 30 31 32 31 32 32 14 33 33 34 35 36 35 36 36 12 37 38 37 38 38 39 40 41 40 41 41 112.952 120.7623 116.8489 121.3541 109.8157 112.7463 106.7282 111.2899 106.4258 109.5385 118.7231 119.8696 121.4049 122.5397 118.435 119.0253 107.3751 110.488 110.1932 109.7448 110.28 108.755 118.2418 122.1071 119.6262 111.601 107.9259 112.0755 108.3414 108.1686 108.6266 113.7033 110.5219 108.0218 109.1303 108.7141 106.4773 122.8914 119.5767 117.5074 120.8944 119.1583 119.9461 121.1022 119.0578 119.8399 112.1242 110.6428 110.2842 108.2101 107.8885 107.532 119.892 120.0836 120.0225 111.5619 111.1273 110.5252 107.8016 107.5034 108.1685 109.7862 106.7039 106.2309 107.8516 114.5015 111.4924 111.4659 111.399 107.2171 108.6407 108.993 109.0684 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 19 19 19 8 8 8 6 6 6 12 12 12 5 5 12 12 5 5 6 6 4 4 4 10 10 10 20 20 20 4 4 4 8 8 8 20 20 20 4 4 9 9 4 4 7 7 6 6 6 13 13 13 6 6 11 11 6 6 15 15 6 6 6 14 14 14 7 7 7 26 26 26 27 27 27 3 3 3 4 4 4 7 7 28 28 9 9 29 29 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 14 14 14 14 8 8 8 19 19 19 5 5 5 5 5 5 6 6 6 6 12 12 12 12 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 7 7 7 7 9 9 9 9 11 11 11 11 11 11 13 13 13 13 14 14 14 14 15 15 15 15 15 15 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 16 16 16 16 16 16 16 16 5 21 22 39 40 41 8 10 20 8 10 20 7 9 7 9 3 18 3 18 2 21 22 2 21 22 2 21 22 23 24 25 23 24 25 23 24 25 11 13 11 13 14 15 14 15 17 26 27 17 26 27 16 28 16 28 16 29 16 29 30 31 32 30 31 32 34 35 36 34 35 36 34 35 36 1 37 38 1 37 38 14 33 14 33 13 33 13 33 176.2855 56.6289 -63.5789 61.0653 -60.4671 -179.7276 -118.0463 6.6733 126.9832 73.4334 -161.847 -41.5371 -88.5673 90.8741 79.4316 -101.127 1.1331 -177.057 -167.3145 14.4954 -168.915 -48.7848 71.0045 65.5286 -174.3412 -54.5519 -53.7521 66.3781 -173.8325 -60.5373 -179.4712 60.9614 63.3724 -55.5616 -175.129 -179.2201 61.846 -57.7214 1.1652 -178.8425 -178.2672 1.725 178.5629 -3.2617 -2.011 176.1643 -104.8951 18.2325 134.353 75.1127 -161.7597 -45.6392 -0.3285 -179.9283 179.664 0.0643 0.9171 -179.1981 -177.3049 2.5799 32.3277 153.2345 -87.9215 -149.5215 -28.6146 90.2293 65.4379 -54.9007 -175.0073 -58.4475 -178.7861 61.1073 -174.1995 65.4619 -54.6447 -90.996 24.902 149.6371 87.2565 -156.8454 -32.1104 -0.7326 179.7771 178.8641 -0.6262 0.4308 179.9214 -179.4531 0.0375 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 0.00149 0.00212 0.00299 0.00329 0.00386 0.00455 0.00593 0.00843 0.01202 0.01413 0.01706 0.01904 0.01965 0.02051 0.02223 0.02401 0.02455 0.02763 0.03150 0.03868 0.04308 0.04442 0.04450 0.04482 0.04622 0.04683 0.04754 0.04946 0.05161 0.05448 0.05694 0.05848 0.05945 0.06684 0.07718 0.07992 0.08632 0.08743 0.10155 0.10484 0.11310 0.11757 0.12079 0.12125 0.12337 0.12402 0.12426 0.12465 0.13143 0.13390 0.13762 0.14505 0.14610 0.14733 0.14973 0.15435 0.16156 0.17907 0.18111 0.18498 0.18609 0.19022 0.19106 0.19374 0.19547 0.19582 0.20209 0.20992 0.21676 0.22349 0.23495 0.24054 0.24136 0.25032 0.25498 0.27266 0.28040 0.29994 0.30506 0.30723 0.31037 0.31431 0.31543 0.31959 0.32659 0.32855 0.32880 0.32953 0.33271 0.33493 0.33528 0.33717 0.33903 0.34097 0.34187 0.34382 0.34604 0.34673 0.34997 0.35197 0.35354 0.35393 0.35606 0.35654 0.36817 0.37856 0.39514 0.40417 0.44188 0.44375 0.45968 0.47229 0.50594 0.52410 0.54424 0.79810 Angle between quadratic step and forces= 76.43 degrees. 1 2 0.00022940 0.00000004 0.00000003 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 3.43779 2.68031 2.67434 2.30853 2.81971 2.72505 2.59396 2.89801 2.88237 2.06650 2.65996 2.65582 2.86546 2.64066 2.07079 2.07788 2.64184 2.84895 2.06533 2.06067 2.06110 2.90745 2.06118 2.06922 2.88836 2.62728 2.05076 2.62789 2.04981 2.05590 2.06271 2.07024 2.04900 2.06379 2.06564 2.06540 2.05259 2.05032 2.07852 2.07665 2.06090 1.97139 2.10770 2.03940 2.11803 1.91665 1.96779 1.86276 1.94238 1.85748 1.91181 2.07211 2.09212 2.11892 2.13872 2.06708 2.07738 1.87405 1.92838 1.92323 1.91541 1.92475 1.89813 2.06371 2.13117 2.08787 1.94781 1.88366 1.95609 1.89091 1.88790 1.89589 1.98450 1.92897 1.88534 1.90468 1.89742 1.85838 2.14486 2.08701 2.05089 2.11001 2.07970 2.09345 2.11363 2.07795 2.09160 1.95694 1.93108 1.92482 1.88862 1.88301 1.87679 2.09251 2.09585 2.09479 1.94712 1.93954 1.92903 1.88149 1.87629 1.88790 1.91613 1.86233 1.85408 1.88237 1.99843 1.94591 1.94545 1.94428 1.87129 1.89614 1.90229 1.90360 3.07676 0.98836 -1.10966 1.06579 -1.05535 -3.13684 -2.06030 0.11647 2.21628 1.28166 -2.82476 -0.72496 -1.54579 1.58605 1.38634 -1.76500 0.01978 -3.09023 -2.92019 0.25299 -2.94812 -0.85146 1.23926 1.14369 -3.04283 -0.95211 -0.93815 1.15852 -3.03395 -1.05657 -3.13236 1.06398 1.10606 -0.96973 -3.05658 -3.12798 1.07942 -1.00743 0.02034 -3.12139 -3.11135 0.03011 3.11651 -0.05693 -0.03510 3.07465 -1.83076 0.31822 2.34490 1.31096 -2.82324 -0.79655 -0.00573 -3.14034 3.13573 0.00112 0.01601 -3.12760 -3.09455 0.04503 0.56422 2.67445 -1.53452 -2.60964 -0.49942 1.57480 1.14211 -0.95820 -3.05445 -1.02010 -3.12041 1.06652 -3.04036 1.14253 -0.95373 -1.58818 0.43462 2.61166 1.52291 -2.73747 -0.56043 -0.01279 3.13770 3.12177 -0.01093 0.00752 3.14022 -3.13205 0.00065 0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -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 0.00010 0.00001 0.00001 -0.00001 0.00002 -0.00002 -0.00001 -0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00000 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00002 0.00000 0.00000 0.00002 -0.00002 -0.00001 -0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 0.00002 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00002 -0.00001 -0.00001 -0.00002 -0.00000 0.00002 0.00001 -0.00000 -0.00002 0.00001 0.00000 -0.00002 0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00001 -0.00001 0.00002 0.00001 -0.00002 -0.00000 -0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00002 -0.00001 0.00000 0.00000 -0.00002 0.00000 -0.00005 -0.00005 -0.00004 0.00003 0.00007 0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00000 -0.00000 0.00015 0.00014 0.00015 0.00002 0.00002 0.00002 0.00001 0.00001 -0.00001 -0.00015 -0.00015 -0.00016 -0.00003 -0.00000 0.00013 0.00016 0.00009 0.00009 -0.00007 -0.00007 -0.00002 -0.00002 -0.00001 -0.00000 -0.00001 0.00000 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 -0.00001 0.00005 -0.00005 0.00002 -0.00010 -0.00014 -0.00007 -0.00011 0.00041 0.00041 0.00044 0.00034 0.00035 0.00037 0.00004 0.00002 0.00010 0.00008 0.00006 0.00005 0.00011 0.00009 0.00053 0.00056 0.00055 0.00049 0.00051 0.00050 -0.00002 -0.00002 -0.00002 -0.00003 -0.00004 -0.00004 -0.00003 -0.00003 -0.00003 0.00030 0.00024 0.00033 0.00030 0.00024 0.00033 -0.00005 -0.00004 -0.00003 -0.00002 -0.00001 -0.00001 0.00001 0.00000 0.00010 0.00001 0.00001 -0.00001 0.00002 -0.00002 -0.00001 -0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00000 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00002 0.00000 0.00000 0.00002 -0.00002 -0.00001 -0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 0.00002 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00002 -0.00001 -0.00001 -0.00002 -0.00000 0.00002 0.00001 -0.00000 -0.00002 0.00001 0.00000 -0.00002 0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00001 -0.00001 0.00002 0.00001 -0.00002 -0.00000 -0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00002 -0.00001 0.00000 0.00000 -0.00002 0.00000 -0.00005 -0.00005 -0.00004 0.00003 0.00007 0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00000 -0.00000 0.00015 0.00014 0.00015 0.00002 0.00002 0.00002 0.00001 0.00001 -0.00001 -0.00015 -0.00015 -0.00016 -0.00003 -0.00000 0.00013 0.00016 0.00009 0.00009 -0.00007 -0.00007 -0.00002 -0.00002 -0.00001 -0.00000 -0.00001 0.00000 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 -0.00001 0.00005 -0.00005 0.00002 -0.00010 -0.00014 -0.00007 -0.00011 0.00041 0.00041 0.00044 0.00034 0.00035 0.00037 0.00004 0.00002 0.00010 0.00008 0.00006 0.00005 0.00011 0.00009 0.00053 0.00056 0.00055 0.00049 0.00051 0.00050 -0.00002 -0.00002 -0.00002 -0.00003 -0.00004 -0.00004 -0.00003 -0.00003 -0.00003 0.00030 0.00024 0.00033 0.00030 0.00024 0.00033 -0.00005 -0.00004 -0.00003 -0.00002 -0.00001 -0.00001 0.00001 0.00000 3.43789 2.68033 2.67435 2.30852 2.81973 2.72503 2.59395 2.89799 2.88235 2.06650 2.65995 2.65582 2.86545 2.64067 2.07079 2.07787 2.64183 2.84894 2.06533 2.06067 2.06110 2.90745 2.06118 2.06921 2.88835 2.62727 2.05076 2.62790 2.04981 2.05591 2.06271 2.07024 2.04900 2.06379 2.06565 2.06540 2.05259 2.05031 2.07851 2.07665 2.06091 1.97137 2.10772 2.03940 2.11803 1.91667 1.96778 1.86275 1.94237 1.85749 1.91181 2.07210 2.09213 2.11891 2.13872 2.06709 2.07737 1.87405 1.92837 1.92323 1.91542 1.92475 1.89813 2.06371 2.13116 2.08788 1.94781 1.88368 1.95611 1.89090 1.88789 1.89587 1.98449 1.92899 1.88534 1.90468 1.89740 1.85839 2.14486 2.08699 2.05090 2.11000 2.07970 2.09346 2.11363 2.07796 2.09159 1.95696 1.93109 1.92480 1.88862 1.88300 1.87678 2.09251 2.09586 2.09478 1.94714 1.93953 1.92903 1.88149 1.87627 1.88790 1.91608 1.86229 1.85404 1.88240 1.99850 1.94592 1.94544 1.94428 1.87129 1.89614 1.90229 1.90360 3.07691 0.98850 -1.10951 1.06582 -1.05533 -3.13681 -2.06029 0.11648 2.21627 1.28151 -2.82492 -0.72512 -1.54582 1.58605 1.38648 -1.76484 0.01987 -3.09014 -2.92026 0.25292 -2.94814 -0.85147 1.23925 1.14369 -3.04283 -0.95211 -0.93816 1.15850 -3.03396 -1.05659 -3.13237 1.06397 1.10606 -0.96973 -3.05658 -3.12797 1.07943 -1.00742 0.02032 -3.12134 -3.11140 0.03013 3.11641 -0.05707 -0.03517 3.07454 -1.83036 0.31863 2.34534 1.31131 -2.82289 -0.79618 -0.00569 -3.14032 3.13583 0.00120 0.01607 -3.12755 -3.09445 0.04512 0.56476 2.67500 -1.53397 -2.60915 -0.49891 1.57530 1.14209 -0.95822 -3.05448 -1.02013 -3.12044 1.06648 -3.04038 1.14249 -0.95376 -1.58788 0.43486 2.61199 1.52321 -2.73723 -0.56010 -0.01283 3.13766 3.12174 -0.01095 0.00751 3.14021 -3.13204 0.00066 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000013 0.000002 0.001091 0.000229 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -5.023449e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 1 2 2 3 4 4 4 5 5 5 6 6 7 7 8 8 9 9 10 10 10 11 11 11 12 13 13 14 14 15 15 15 16 17 17 17 18 18 19 19 19 18 8 19 12 5 6 12 8 10 20 7 9 11 13 21 22 14 15 23 24 25 17 26 27 18 16 28 16 29 30 31 32 33 34 35 36 37 38 39 40 41 1.8192 1.4184 1.4152 1.2216 1.4921 1.442 1.3727 1.5336 1.5253 1.0935 1.4076 1.4054 1.5163 1.3974 1.0958 1.0996 1.398 1.5076 1.0929 1.0905 1.0907 1.5386 1.0907 1.095 1.5285 1.3903 1.0852 1.3906 1.0847 1.0879 1.0915 1.0955 1.0843 1.0921 1.0931 1.093 1.0862 1.085 1.0999 1.0989 1.0906 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 8 5 5 6 4 4 4 8 8 10 4 4 7 6 6 11 2 2 2 5 5 21 6 6 14 5 5 5 23 23 24 7 7 7 17 17 26 3 3 4 7 7 16 9 9 16 9 9 9 30 30 31 13 13 14 11 11 11 34 34 35 1 1 1 12 12 37 2 2 2 39 39 40 2 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 19 6 12 12 8 10 20 10 20 20 7 9 9 11 13 13 5 21 22 21 22 22 14 15 15 23 24 25 24 25 25 17 26 27 26 27 27 4 18 18 16 28 28 16 29 29 30 31 32 31 32 32 14 33 33 34 35 36 35 36 36 12 37 38 37 38 38 39 40 41 40 41 41 112.952 120.7623 116.8489 121.3541 109.8157 112.7463 106.7282 111.2899 106.4258 109.5385 118.7231 119.8696 121.4049 122.5397 118.435 119.0253 107.3751 110.488 110.1932 109.7448 110.28 108.755 118.2418 122.1071 119.6262 111.601 107.9259 112.0755 108.3414 108.1686 108.6266 113.7033 110.5219 108.0218 109.1303 108.7141 106.4773 122.8914 119.5767 117.5074 120.8944 119.1583 119.9461 121.1022 119.0578 119.8399 112.1242 110.6428 110.2842 108.2101 107.8885 107.532 119.892 120.0836 120.0225 111.5619 111.1273 110.5252 107.8016 107.5034 108.1685 109.7862 106.7039 106.2309 107.8516 114.5015 111.4924 111.4659 111.399 107.2171 108.6407 108.993 109.0684 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 19 19 19 8 8 8 6 6 6 12 12 12 5 5 12 12 5 5 6 6 4 4 4 10 10 10 20 20 20 4 4 4 8 8 8 20 20 20 4 4 9 9 4 4 7 7 6 6 6 13 13 13 6 6 11 11 6 6 15 15 6 6 6 14 14 14 7 7 7 26 26 26 27 27 27 3 3 3 4 4 4 7 7 28 28 9 9 29 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 14 14 14 8 8 8 19 19 19 5 5 5 5 5 5 6 6 6 6 12 12 12 12 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 7 7 7 7 9 9 9 9 11 11 11 11 11 11 13 13 13 13 14 14 14 14 15 15 15 15 15 15 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 16 16 16 16 16 16 16 5 21 22 39 40 41 8 10 20 8 10 20 7 9 7 9 3 18 3 18 2 21 22 2 21 22 2 21 22 23 24 25 23 24 25 23 24 25 11 13 11 13 14 15 14 15 17 26 27 17 26 27 16 28 16 28 16 29 16 29 30 31 32 30 31 32 34 35 36 34 35 36 34 35 36 1 37 38 1 37 38 14 33 14 33 13 33 13 176.2855 56.6289 -63.5789 61.0653 -60.4671 -179.7276 -118.0463 6.6733 126.9832 73.4334 -161.847 -41.5371 -88.5673 90.8741 79.4316 -101.127 1.1331 -177.057 -167.3145 14.4954 -168.915 -48.7848 71.0045 65.5286 -174.3412 -54.5519 -53.7521 66.3781 -173.8325 -60.5373 -179.4712 60.9614 63.3724 -55.5616 -175.129 -179.2201 61.846 -57.7214 1.1652 -178.8425 -178.2672 1.725 178.5629 -3.2617 -2.011 176.1643 -104.8951 18.2325 134.353 75.1127 -161.7597 -45.6392 -0.3285 -179.9283 179.664 0.0643 0.9171 -179.1981 -177.3049 2.5799 32.3277 153.2345 -87.9215 -149.5215 -28.6146 90.2293 65.4379 -54.9007 -175.0073 -58.4475 -178.7861 61.1073 -174.1995 65.4619 -54.6447 -90.996 24.902 149.6371 87.2565 -156.8454 -32.1104 -0.7326 179.7771 178.8641 -0.6262 0.4308 179.9214 -179.4531 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 577 A 558 A 558 877 577 76 76 1698.1996205194 41 41 41 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 -0.0527586822 0.000000 6.140142 0.000000 3.416087 3.991566 0.000000 3.454235 3.687619 2.279874 0.000000 4.708413 2.379635 2.727230 1.492126 0.000000 3.725191 4.784484 3.577357 1.442034 2.550880 0.000000 4.659928 5.725575 4.268611 2.451879 3.375295 1.407589 0.000000 4.782393 1.418361 3.086448 2.475818 1.533560 3.585842 4.693473 0.000000 3.736364 5.271119 4.536773 2.464395 3.408343 1.405398 2.453178 4.007086 0.000000 5.851135 2.926275 4.195987 2.512549 1.525282 2.828597 3.345390 2.525252 3.506600 0.000000 5.358101 5.854331 4.099006 2.916356 3.552705 2.564501 1.516334 5.039013 3.856593 3.626573 0.000000 2.743750 4.257062 1.221622 1.372666 2.441463 2.454296 3.223559 3.082362 3.401259 3.748652 3.366294 0.000000 5.409830 6.909123 5.601197 3.723840 4.630823 2.409798 1.397379 5.868681 2.805685 4.335304 2.511592 4.493121 0.000000 4.648494 6.546344 5.802281 3.730469 4.655116 2.406027 2.800881 5.346932 1.398002 4.460800 4.316707 4.617196 2.407034 0.000000 3.572707 4.851532 4.663213 2.925872 3.590485 2.549565 3.844502 3.568283 1.507601 3.892090 5.112232 3.716935 4.312088 2.512178 0.000000 5.405592 7.269092 6.251400 4.223711 5.159331 2.781845 2.425007 6.146657 2.428319 4.816940 3.801329 5.064237 1.390298 1.390619 3.800199 0.000000 5.366671 6.969753 4.362620 3.812116 4.697676 3.551830 2.557760 6.086187 4.767444 5.061555 1.538558 3.730655 3.241167 5.134062 6.012980 4.511347 0.000000 1.819200 5.709286 2.381550 2.481615 3.845929 2.850360 3.422597 4.439729 3.522499 4.979334 3.752595 1.528453 4.397525 4.469581 3.960693 4.842531 3.636470 0.000000 6.710910 1.415200 4.845572 4.820450 3.680081 5.927209 6.992852 2.362213 6.217836 4.249250 7.206090 5.228648 8.146710 7.506530 5.499900 8.377400 8.262576 6.589901 0.000000 5.158479 2.527810 2.444043 2.088443 1.093544 3.266160 3.800289 2.120396 4.335633 2.153600 3.525775 2.562434 5.144378 5.544685 4.616494 5.884619 4.522868 4.052836 3.850349 0.000000 4.185059 2.073783 2.488955 2.632968 2.165195 3.908246 5.061536 1.095815 4.343465 3.469944 5.353939 2.727836 6.288606 5.737328 3.802676 6.575826 6.168124 4.000316 2.611626 2.488836 0.000000 4.793969 2.073037 3.875963 2.819693 2.174806 3.580681 4.823942 1.099564 3.604244 2.734367 5.466126 3.612509 5.820680 4.878885 2.868694 5.850686 6.581374 4.755861 2.662312 3.043179 1.784564 0.000000 5.802202 3.395327 4.779424 2.797050 2.179075 2.723463 3.409939 2.818742 2.952462 1.092925 4.098522 4.144025 4.146737 3.789482 3.228451 4.317192 5.542374 5.188367 4.533462 3.073834 3.785119 2.580740 0.000000 6.722031 2.532794 4.763390 3.430517 2.130599 3.909231 4.395918 2.699415 4.521874 1.090461 4.506687 4.544143 5.360986 5.465704 4.717883 5.837797 5.930836 5.890680 3.802463 2.467269 3.726821 2.978557 1.770212 0.000000 6.207491 3.876715 4.508842 2.806372 2.183244 2.826164 2.847873 3.485899 3.717049 1.090689 2.891796 3.987199 3.767907 4.451405 4.467030 4.481800 4.398742 5.088491 5.248991 2.503068 4.320988 3.768925 1.768467 1.771571 0.000000 5.300029 4.982130 3.379461 2.482733 2.802820 2.683727 2.156055 4.295259 4.074739 3.077045 1.090730 2.890513 3.398055 4.823918 5.098682 4.564533 2.157955 3.677259 6.341321 2.548237 4.598930 4.888841 3.784790 3.837535 2.466571 0.000000 6.413648 6.341563 5.069075 3.792266 4.159319 3.323179 2.127349 5.685916 4.494191 3.859679 1.094982 4.397912 2.686018 4.752815 5.807173 4.027617 2.155737 4.842420 7.737456 4.103071 6.143438 6.084582 4.327439 4.620952 2.902869 1.751052 0.000000 6.285647 7.721428 6.310789 4.595208 5.426316 3.393725 2.146643 6.763759 3.890825 5.046513 2.688575 5.272092 1.085217 3.390520 5.396889 2.148708 3.170671 5.131097 9.013855 5.799689 7.195264 6.793069 4.962425 6.006875 4.301643 3.717287 2.530439 0.000000 5.081657 7.140895 6.625527 4.605439 5.466240 3.389245 3.885589 5.947198 2.145706 5.242781 5.401320 5.458312 3.389334 1.084715 2.695044 2.147451 6.184873 5.236749 7.967301 6.425562 6.323869 5.314751 4.430827 6.178533 5.343904 5.890760 5.812864 4.285143 0.000000 2.847686 4.404295 3.883785 2.601431 3.298510 2.739309 4.129022 3.041853 2.166078 4.009030 5.192797 3.081106 4.852656 3.377488 1.087935 4.560346 5.967881 3.394527 4.957122 4.223155 2.998080 2.493505 3.589124 4.778047 4.675790 5.016826 6.017346 5.922866 3.669285 0.000000 3.767982 5.834630 5.523970 3.923416 4.676888 3.405635 4.583101 4.567236 2.150490 4.947211 5.945556 4.558881 4.806723 2.648632 1.091541 4.025433 6.728637 4.513658 6.349014 5.690691 4.705342 3.792869 4.206049 5.759127 5.483462 6.045454 6.636236 5.872084 2.414826 1.765580 0.000000 4.544325 4.390713 5.115033 3.304951 3.513078 3.053565 4.302054 3.305813 2.148996 3.527767 5.505823 4.299110 4.776750 3.031714 1.095523 4.273415 6.601310 4.828986 4.973402 4.599340 3.784799 2.398527 2.701397 4.182514 4.246800 5.391290 6.071245 5.834762 3.132290 1.765210 1.764109 0.000000 6.272680 8.290456 7.314532 5.307940 6.218175 3.866113 3.405525 7.190274 3.407693 5.775191 4.660656 6.121477 2.149392 2.149033 4.660405 1.084284 5.249400 5.795154 9.383950 6.941070 7.637662 6.839482 5.218660 6.755935 5.388008 5.509528 4.738675 2.475556 2.472860 5.491276 4.708806 5.093197 0.000000 4.522794 6.806484 3.686914 3.536948 4.598276 3.496875 2.878679 5.826513 4.669567 5.268711 2.189723 3.096822 3.713329 5.197613 5.752413 4.805102 1.092111 2.765466 8.004484 4.421558 5.721606 6.345953 5.738504 6.159141 4.805294 2.505202 3.074552 3.871451 6.204662 5.543491 6.428738 6.449641 5.612360 0.000000 5.719599 7.856940 5.274995 4.519730 5.520726 3.947041 2.793152 6.900417 4.960085 5.750854 2.185035 4.509474 2.984450 5.035637 6.315468 4.197663 1.093091 4.138892 9.147581 5.478808 7.007126 7.276886 6.081442 6.677361 5.040717 3.073532 2.540266 2.668187 6.030894 6.398291 6.902256 6.964191 4.753973 1.765639 0.000000 6.227236 7.349391 4.773477 4.549253 5.216964 4.483677 3.494942 6.625159 5.767361 5.565300 2.177367 4.384782 4.180824 6.172871 6.974792 5.508331 1.092964 4.435858 8.658367 4.829675 6.700616 7.241528 6.190311 6.306265 4.832261 2.507031 2.462055 3.956219 7.235270 6.875730 7.743388 7.501080 6.206928 1.762180 1.770443 0.000000 2.371748 6.298549 2.505664 3.330613 4.554429 3.827172 4.190782 5.136452 4.595672 5.771565 4.199730 2.129280 5.166879 5.489690 5.027501 5.739171 3.732867 1.086185 7.141794 4.531686 4.569771 5.592769 6.108365 6.620438 5.819647 4.073970 5.282465 5.760988 6.265648 4.392418 5.553989 5.882116 6.649838 2.694082 4.271703 4.346411 0.000000 2.364330 6.267144 3.252259 2.691722 4.161550 2.492828 2.763715 4.977117 3.129156 5.021306 3.271095 2.211072 3.516371 3.799446 3.917744 3.967835 3.087842 1.084981 7.254540 4.461611 4.735090 5.182392 5.130212 6.028836 4.959831 3.511141 4.310992 4.202878 4.615932 3.638258 4.394741 4.835467 4.860082 2.356108 3.359096 4.040438 1.794583 0.000000 6.781115 2.086106 5.436587 5.094588 4.072640 6.026564 7.189550 2.660964 6.067204 4.471322 7.614351 5.631056 8.226380 7.287094 5.158878 8.276034 8.733401 6.883109 1.099904 4.496021 2.998522 2.487563 4.489176 4.085766 5.540545 6.852664 8.141686 9.152238 7.608740 4.713019 5.895398 4.505749 9.233010 8.482690 9.540055 9.234184 7.545501 7.485530 0.000000 6.366325 2.084528 4.526123 4.957548 4.026608 6.187535 7.298124 2.654929 6.508674 4.906959 7.470343 5.078733 8.511296 7.858871 5.729612 8.761620 8.363334 6.359346 1.098915 4.089701 2.426428 3.073828 5.236887 4.611421 5.870551 6.584613 8.115857 9.395191 8.325175 5.006201 6.526722 5.375462 9.796375 7.970928 9.273424 8.747888 6.795544 7.150282 1.786080 0.000000 7.753157 2.026286 5.639878 5.679720 4.404410 6.781676 7.746525 3.280436 7.141196 4.784602 7.836096 6.107652 8.905214 8.396219 6.495989 9.199961 8.926472 7.526877 1.090584 4.415391 3.598438 3.633465 5.152735 4.120499 5.717103 6.919035 8.269728 9.715596 8.877031 6.009571 7.361914 5.902317 10.194686 8.735790 9.846975 9.227043 8.031300 8.181865 1.783240 1.783270 0.000000 C15H22ClNO2 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 0 261.61899999999986 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;4;2;3;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4756,3.2263,.5988;3.8471,-1.0548,-.2306;1.2183,1.4984,-1.8127;.3157,.0005,-.35;1.4927,-.8971,-.5383;-.8685,-.4681,.3263;-1.8749,-1.0979,-.4299;2.7115,-.3157,.1887;-.993,-.3013,1.7162;1.2172,-2.3312,-.0979;-1.7505,-1.3257,-1.9238;.3186,1.1816,-1.0495;-3.0306,-1.5277,.2276;-2.1684,-.7407,2.3326;.1101,.2939,2.5539;-3.1824,-1.345,1.5974;-2.6075,-.3674,-2.769;-.846,2.1435,-.8154;5.058,-.5595,.309;1.7327,-.8818,-1.6051;2.8262,.743,-.0694;2.583,-.4024,1.2773;.9596,-2.3838,.9629;2.1255,-2.9124,-.2597;.4062,-2.7863,-.6678;-.709,-1.2449,-2.2376;-2.06,-2.3542,-2.1366;-3.8135,-2.0158,-.3439;-2.284,-.6066,3.4028;.6836,1.0391,2.0066;-.2986,.7674,3.4484;.8025,-.4891,2.882;-4.0863,-1.6803,2.0936;-2.2697,.6665,-2.6699;-3.6571,-.4065,-2.4663;-2.548,-.6325,-3.8277;-.9277,2.7859,-1.6875;-1.7902,1.6599,-.588;5.0586,-.6081,1.4078;5.2373,.4807,.0032;5.863,-1.1874,-.0745; 0.4033974 0.2651659 0.2413549 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= 558 RedAO= T EigKep= 2.67D-06 NBF= 558 NBsUse= 555 1.00D-06 EigRej= 9.31D-07 NBFU= 555 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= 576 576 576 576 576 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1250.54005671198 -1250.54005671 1 1.245967242484e+03 -6.329215384413e+03 2.134561223380e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3774191901 LenY= 3773858395 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= 41. Will process 42 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111 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. 12674 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 3774873600 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 860000000 NMat= 123 IRICut= 307 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 123 NMatS0= 123 NMatT0= 0 NMatD0= 123 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 83.49% of shell-pairs survive, threshold= 0.20 IRatSp=83. There are 126 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 123 vectors produced by pass 0 Test12= 3.64D-14 1.00D-09 XBig12= 2.04D+02 5.79D+00. AX will form 123 AO Fock derivatives at one time. 123 vectors produced by pass 1 Test12= 3.64D-14 1.00D-09 XBig12= 4.81D+01 1.04D+00. 123 vectors produced by pass 2 Test12= 3.64D-14 1.00D-09 XBig12= 3.56D-01 4.69D-02. 123 vectors produced by pass 3 Test12= 3.64D-14 1.00D-09 XBig12= 1.05D-03 3.20D-03. 123 vectors produced by pass 4 Test12= 3.64D-14 1.00D-09 XBig12= 2.53D-06 1.70D-04. 102 vectors produced by pass 5 Test12= 3.64D-14 1.00D-09 XBig12= 3.45D-09 4.88D-06. 25 vectors produced by pass 6 Test12= 3.64D-14 1.00D-09 XBig12= 3.82D-12 2.99D-07. 3 vectors produced by pass 7 Test12= 3.64D-14 1.00D-09 XBig12= 4.13D-15 1.13D-08. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 745 with 126 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 201.92 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 220.429 14.933 180.443 -2.892 3.211 204.878 304.530 31.084 264.322 -11.282 9.446 324.892 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT81755.100S 2022-11-12T03:48:33.000 -101.54792 -19.12850 -19.10098 -14.35732 -10.28691 -10.24126 -10.22468 -10.21911 -10.21626 -10.21368 -10.20017 -10.19909 -10.18909 -10.18726 -10.18560 -10.18463 -10.17520 -10.17421 -10.16643 -9.46226 -7.22710 -7.21696 -7.21667 -1.05613 -1.04019 -0.95798 -0.87219 -0.86117 -0.81132 -0.79555 -0.77492 -0.74294 -0.71686 -0.70965 -0.70066 -0.65838 -0.65369 -0.62488 -0.60986 -0.58844 -0.56197 -0.52445 -0.51694 -0.50558 -0.49033 -0.48724 -0.47806 -0.46328 -0.45747 -0.45294 -0.44665 -0.44374 -0.43401 -0.43018 -0.42558 -0.42084 -0.41173 -0.40327 -0.40205 -0.39418 -0.39109 -0.38315 -0.37038 -0.36225 -0.36102 -0.35470 -0.35163 -0.34876 -0.32811 -0.31650 -0.30681 -0.27787 -0.26547 -0.26431 -0.25881 -0.25685 -0.03971 -0.03218 -0.02667 -0.00465 0.00479 0.00859 0.01050 0.01830 0.02357 0.02867 0.03246 0.03908 0.03995 0.04614 0.04921 0.05258 0.05550 0.05594 0.06347 0.06711 0.07071 0.07611 0.08051 0.08417 0.08719 0.08824 0.09259 0.09530 0.09936 0.10300 0.10757 0.11376 0.11532 0.11882 0.12327 0.12539 0.12784 0.13210 0.13272 0.13706 0.14200 0.14458 0.14822 0.14921 0.15181 0.16025 0.16149 0.16489 0.16972 0.17270 0.17510 0.17673 0.18005 0.18314 0.18670 0.18860 0.19113 0.19464 0.19770 0.19964 0.20441 0.20800 0.21045 0.21319 0.21498 0.21660 0.22005 0.22256 0.22728 0.22908 0.23730 0.23856 0.23977 0.24080 0.24521 0.24832 0.25257 0.25513 0.25826 0.26038 0.26262 0.26808 0.27209 0.27474 0.28153 0.28415 0.28859 0.28960 0.29531 0.29759 0.29882 0.30547 0.31373 0.31598 0.31777 0.32606 0.33444 0.33858 0.34188 0.34629 0.35093 0.36214 0.37394 0.37521 0.38162 0.38304 0.39201 0.39525 0.39635 0.40344 0.41027 0.41421 0.42768 0.43212 0.43451 0.43790 0.44561 0.45632 0.46691 0.47099 0.47643 0.48145 0.49414 0.50128 0.51108 0.51283 0.51699 0.52286 0.52486 0.53860 0.53991 0.54527 0.55100 0.55390 0.55913 0.56705 0.57812 0.58157 0.58414 0.59181 0.60332 0.60559 0.61180 0.61631 0.62026 0.63639 0.64154 0.64799 0.65347 0.65711 0.66136 0.66765 0.67065 0.67889 0.68353 0.68999 0.69749 0.69960 0.70191 0.70299 0.70622 0.71324 0.71968 0.72509 0.73267 0.73549 0.73977 0.74497 0.75041 0.75718 0.76173 0.76754 0.76869 0.77815 0.78207 0.78585 0.79272 0.79563 0.81076 0.82667 0.83793 0.84001 0.84649 0.85274 0.86759 0.88176 0.88868 0.90695 0.91868 0.92925 0.93726 0.95204 0.95266 0.95354 0.96505 0.97205 0.99454 1.00030 1.00651 1.01480 1.02276 1.02534 1.03934 1.05311 1.06189 1.06792 1.08054 1.08523 1.10195 1.11210 1.12287 1.13021 1.13779 1.14421 1.15776 1.17641 1.20305 1.21266 1.21953 1.23935 1.24047 1.26526 1.27682 1.28231 1.28720 1.30185 1.30542 1.31772 1.33905 1.34829 1.36343 1.36536 1.40016 1.40771 1.42035 1.42580 1.44111 1.44500 1.47115 1.47804 1.48490 1.48740 1.49466 1.50269 1.51503 1.52209 1.52794 1.53652 1.54022 1.55342 1.56011 1.56387 1.56751 1.57283 1.58450 1.58656 1.58852 1.59383 1.60258 1.60936 1.61132 1.62369 1.62708 1.63958 1.64255 1.65645 1.66160 1.66517 1.66867 1.67432 1.68545 1.69001 1.69714 1.70669 1.72082 1.73546 1.73989 1.74368 1.75067 1.75314 1.77074 1.77363 1.79691 1.80556 1.80972 1.81526 1.83418 1.83727 1.84897 1.85969 1.86312 1.86787 1.88894 1.89572 1.89622 1.91212 1.92031 1.92779 1.94297 1.95233 1.95948 1.96988 1.99046 2.00367 2.00763 2.02782 2.04697 2.04948 2.07554 2.07758 2.10473 2.11635 2.11772 2.12296 2.12860 2.14414 2.15985 2.16781 2.19167 2.19579 2.20695 2.21423 2.21620 2.23134 2.24573 2.27144 2.28224 2.29985 2.30857 2.31845 2.33007 2.34937 2.35948 2.37357 2.38815 2.40004 2.40566 2.41933 2.43456 2.43868 2.47234 2.47343 2.48705 2.48810 2.49192 2.50017 2.50949 2.51944 2.53300 2.54009 2.54622 2.55291 2.56065 2.56865 2.57774 2.58432 2.58923 2.60869 2.61843 2.62290 2.63103 2.63828 2.64545 2.65683 2.66721 2.68391 2.69554 2.70463 2.70831 2.71489 2.72811 2.73551 2.74747 2.76192 2.77514 2.78233 2.79581 2.80093 2.80986 2.82773 2.84078 2.85122 2.85752 2.86101 2.87805 2.89533 2.89926 2.92211 2.93402 2.95207 2.96021 2.96670 2.97685 2.99485 3.01638 3.02633 3.03395 3.04882 3.06200 3.08293 3.11892 3.16028 3.16610 3.18879 3.22045 3.22377 3.23781 3.25627 3.26263 3.28822 3.29932 3.33657 3.37947 3.39379 3.43305 3.44042 3.46830 3.48845 3.57356 3.60675 3.66958 3.69373 3.77257 3.78886 3.79168 3.79705 3.80290 3.80616 3.81945 3.82527 3.82887 3.84182 3.85164 3.86127 3.90370 3.99922 4.02825 4.08507 4.10047 4.11174 4.13881 4.16621 4.19388 4.21388 4.31068 4.33535 4.37305 4.85106 4.89212 5.01443 5.07633 5.15824 5.27379 5.41003 5.70247 5.81369 9.83138 23.62053 23.82318 23.83180 23.88113 23.88954 23.91545 23.93360 23.93568 23.96001 23.99607 24.01102 24.02112 24.08708 24.09398 24.18016 25.97772 26.11536 26.57000 35.62222 49.95067 50.05155 215.83486 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 Cl O O N 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 0.074663 -0.173752 -0.239113 0.347738 -0.377951 0.135214 0.251822 -0.076426 0.048373 -0.446460 -0.222392 0.173560 -0.481445 -0.296426 -0.478225 -0.118651 -0.565465 -0.800031 -0.221045 0.202022 0.165096 0.123688 0.166365 0.175912 0.142112 0.161035 0.151296 0.122480 0.122014 0.163554 0.152190 0.172924 0.127805 0.143830 0.141727 0.149524 0.238330 0.241304 0.124009 0.132106 0.146687 -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 Cl O O N C C C C C C C C C C C C C C C 0.074663 -0.173752 -0.239113 0.347738 -0.175930 0.135214 0.251822 0.212359 0.048373 0.037929 0.089940 0.173560 -0.358965 -0.174412 0.010442 0.009155 -0.130383 -0.320397 0.181757 -0.00000 -8.49799148e-01 -9.73847304e-01 6.60965773e-01 2.20428931e+02 1.49331644e+01 1.80443116e+02 -2.89155063e+00 3.21071984e+00 2.04878378e+02 -4.2740 -1.5932 0.0014 0.0020 0.0026 3.3995 31.0775 37.6006 59.1067 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 31.0702 37.5971 59.0996 60.1941 71.2604 81.6805 86.5035 98.5276 124.2245 131.5936 170.2919 181.1323 191.2511 205.0386 217.9591 226.5154 237.5820 271.5066 282.0433 294.3787 324.9883 353.7007 377.7953 385.8603 417.0040 446.4393 486.2821 504.2414 511.1324 552.5595 564.4977 591.0547 606.5702 655.5345 695.2029 769.8182 781.2349 799.2447 802.2026 807.7540 889.3050 902.9425 916.4043 932.7050 949.7590 974.8267 980.8064 993.3128 996.0902 1006.7494 1030.3642 1064.2309 1071.3265 1090.6145 1097.8903 1129.1150 1143.3407 1158.5247 1166.2134 1178.4270 1189.6507 1201.5601 1222.1885 1251.5110 1266.8120 1281.4201 1288.7619 1292.3678 1299.0041 1330.6878 1363.4296 1364.3096 1372.8773 1389.2128 1415.8446 1419.2114 1421.1993 1437.7274 1468.6767 1474.7078 1476.7422 1487.7098 1493.1615 1495.0874 1497.0650 1499.6697 1501.2843 1503.4250 1508.3466 1509.8099 1512.4475 1524.9171 1625.9670 1628.4915 1718.6631 2964.2314 2982.4639 3012.2468 3023.1708 3030.4345 3031.3050 3040.1490 3042.4414 3055.3512 3086.1415 3088.0403 3098.6811 3107.9868 3109.0188 3111.2562 3115.5003 3126.8974 3142.6298 3154.1913 3163.3077 3182.1304 3187.2170 4.8920 4.6464 2.7792 5.5166 3.2342 3.7486 2.8555 2.4938 3.7821 2.9555 1.9012 2.8887 2.8453 3.2333 2.0219 1.4278 1.3470 3.7845 1.8417 1.4106 2.8223 2.8417 3.5574 3.0575 3.0831 4.1641 2.5531 3.3061 3.8245 4.5690 4.9930 3.5132 3.9709 5.0684 4.9182 4.6820 1.8307 3.0406 1.5685 2.0882 2.8192 2.9614 1.3820 1.9045 1.2686 3.0982 4.3252 1.4831 1.9175 2.3359 1.7787 1.5353 1.8548 1.7756 2.1672 1.9279 3.8889 1.8107 1.6393 1.2706 1.6119 1.2142 1.6297 3.9136 1.7225 2.4370 1.1678 1.9104 1.2874 2.1748 1.5269 2.3500 1.2225 1.9114 1.2151 1.2799 1.2586 1.2701 1.3860 1.3227 1.1553 1.0442 1.1813 1.0787 1.1847 1.5321 1.0487 1.1425 1.0547 1.2290 1.1769 1.0844 6.5415 5.3372 10.7106 1.0383 1.0606 1.1031 1.0486 1.0565 1.0480 1.0904 1.0446 1.0854 1.0972 1.0907 1.0981 1.0967 1.0974 1.0983 1.0596 1.1021 1.0974 1.0866 1.0905 1.0967 1.1123 0.0028 0.0039 0.0057 0.0118 0.0097 0.0147 0.0126 0.0143 0.0344 0.0302 0.0325 0.0558 0.0613 0.0801 0.0566 0.0432 0.0448 0.1644 0.0863 0.0720 0.1756 0.2095 0.2992 0.2682 0.3159 0.4890 0.3557 0.4953 0.5887 0.8219 0.9374 0.7231 0.8608 1.2833 1.4005 1.6348 0.6583 1.1444 0.5947 0.8028 1.3136 1.4225 0.6838 0.9762 0.6742 1.7347 2.4515 0.8622 1.1209 1.3949 1.1126 1.0245 1.2543 1.2444 1.5391 1.4481 2.9952 1.4319 1.3136 1.0396 1.3441 1.0329 1.4343 3.6116 1.6287 2.3577 1.1427 1.8799 1.2799 2.2689 1.6723 2.5772 1.3576 2.1734 1.4352 1.5189 1.4977 1.5469 1.7614 1.6949 1.4845 1.3616 1.5517 1.4207 1.5643 2.0301 1.3926 1.5215 1.4138 1.6506 1.5862 1.4857 10.1894 8.3394 18.6400 5.3752 5.5587 5.8972 5.6465 5.7165 5.6736 5.9381 5.6969 5.9697 6.1571 6.1279 6.2120 6.2416 6.2498 6.2638 6.0599 6.3488 6.3857 6.3696 6.4293 6.5427 6.6575 0.1668 1.2046 1.1226 1.1273 0.9428 0.2879 2.6026 1.5676 1.0459 0.1032 0.6985 0.6265 2.3047 1.4719 0.6895 1.0954 4.2152 1.0760 0.3837 0.1515 5.3670 1.9807 13.0101 1.9340 3.2807 2.3756 0.5633 2.3925 2.1068 0.8079 5.0738 8.4528 5.9846 36.7006 13.9881 0.1460 8.4410 13.5455 4.1919 10.9410 0.9868 3.9577 0.3562 1.7042 2.6763 14.1770 10.2212 0.3102 0.3163 2.8683 0.9340 10.3851 4.6816 2.0435 8.5619 16.3634 212.6257 24.6247 3.3382 28.0095 12.2653 2.1079 21.5322 25.4702 1.5381 29.3110 3.2336 2.1709 16.3488 0.7029 12.4078 91.7918 3.4558 67.5638 1.9160 7.4132 9.6247 12.2629 7.8947 18.9626 3.3652 8.7080 9.1063 5.5510 9.2124 27.3422 3.2988 3.2369 5.3371 18.3557 20.5232 5.1030 6.1930 1.3861 362.6263 70.8271 42.4516 54.8337 22.9899 26.0739 20.7027 21.7226 5.6389 13.6498 3.9457 15.8375 34.7781 33.3101 39.9179 19.5838 3.4518 12.8558 6.6358 1.7870 14.8327 20.4589 1.2129 0.20 0.07 -0.04 -0.02 0.06 -0.01 -0.11 -0.07 -0.05 -0.04 -0.03 0.03 -0.03 -0.02 0.04 -0.05 -0.05 0.02 -0.03 -0.05 -0.00 -0.03 0.05 -0.02 -0.07 -0.06 0.02 0.01 0.00 0.12 0.00 -0.04 0.00 -0.07 -0.04 0.01 -0.04 -0.06 -0.02 -0.08 -0.07 -0.00 -0.08 -0.06 0.03 -0.06 -0.07 -0.02 0.18 0.10 -0.02 -0.02 -0.01 0.08 -0.01 0.16 -0.11 -0.06 -0.07 0.03 -0.06 0.04 -0.08 0.00 0.11 -0.01 0.04 0.05 0.13 0.02 0.01 0.13 0.01 -0.05 0.17 0.03 -0.18 0.05 -0.14 0.01 -0.03 -0.03 -0.06 -0.04 -0.09 -0.08 -0.00 -0.12 -0.01 0.06 -0.08 -0.13 0.07 -0.04 -0.05 -0.02 -0.07 -0.07 -0.04 0.34 0.05 0.00 0.16 0.26 -0.05 0.17 0.10 -0.02 -0.12 -0.06 0.05 -0.01 0.03 0.24 0.04 0.25 -0.11 -0.07 0.14 -0.21 -0.01 0.16 -0.10 0.11 0.14 -0.10 -0.02 0.01 0.05 -0.01 0.05 0.02 -0.02 0.01 -0.03 -0.01 0.02 -0.04 -0.00 -0.02 -0.01 0.01 -0.05 -0.00 -0.04 -0.01 0.03 0.02 -0.03 -0.01 -0.02 -0.01 -0.14 -0.04 0.02 -0.01 -0.02 0.03 0.01 0.05 -0.13 0.02 0.06 -0.11 0.01 -0.01 0.04 -0.03 0.08 -0.17 0.03 -0.15 -0.00 0.08 -0.02 0.02 0.03 -0.06 -0.07 0.20 0.02 0.09 -0.04 -0.03 -0.00 0.09 -0.09 -0.07 0.02 -0.05 -0.08 -0.16 -0.01 0.01 -0.16 0.00 0.03 -0.20 -0.06 0.12 -0.06 0.03 0.01 -0.05 0.06 -0.16 0.03 0.07 -0.13 0.02 -0.04 0.05 -0.05 -0.04 0.06 -0.05 0.02 0.09 0.01 0.11 -0.24 0.05 -0.25 0.03 0.15 -0.14 -0.12 0.10 -0.16 0.08 0.06 -0.12 -0.05 -0.02 0.01 0.02 0.16 -0.15 -0.18 0.20 -0.01 -0.04 0.32 -0.04 -0.04 0.21 -0.02 -0.03 0.03 -0.01 0.02 -0.02 -0.09 0.02 -0.07 -0.02 -0.00 -0.05 -0.01 0.02 -0.07 0.01 -0.01 -0.01 -0.00 -0.03 0.02 -0.02 0.03 -0.06 0.03 0.02 -0.01 0.02 0.01 -0.07 -0.02 -0.07 0.03 -0.06 0.00 -0.04 0.00 -0.01 0.05 0.04 0.04 0.02 0.04 0.04 -0.04 0.02 0.03 0.05 0.20 0.08 -0.01 -0.05 -0.01 0.02 -0.05 -0.09 0.16 -0.01 0.03 -0.07 -0.02 0.03 -0.07 -0.04 0.04 -0.06 0.03 0.00 -0.07 0.03 0.02 -0.08 0.02 -0.01 -0.06 0.01 -0.28 0.05 -0.21 -0.01 0.04 -0.00 -0.02 0.08 0.05 0.07 0.02 0.08 -0.02 -0.07 0.05 0.11 -0.07 0.01 0.03 0.02 0.03 0.05 0.07 0.45 0.01 -0.09 0.19 0.35 0.00 0.12 0.01 0.00 -0.08 0.01 0.04 -0.04 -0.02 0.04 -0.17 -0.22 0.16 0.03 -0.06 0.31 -0.03 -0.08 0.18 -0.10 0.15 -0.04 -0.04 -0.14 -0.08 0.06 0.11 0.17 -0.00 0.02 0.04 -0.02 0.00 -0.00 -0.00 0.00 0.02 0.04 -0.06 0.02 0.02 -0.06 -0.03 -0.04 0.04 0.01 -0.04 0.00 -0.00 0.09 -0.08 0.02 0.02 0.06 0.10 0.05 -0.11 0.00 -0.03 0.00 0.00 -0.08 0.11 0.01 0.02 -0.07 -0.00 0.20 -0.02 -0.02 -0.03 0.01 0.05 0.03 -0.18 -0.19 -0.05 0.01 -0.01 0.08 -0.07 -0.04 0.05 -0.05 -0.03 -0.02 0.00 0.00 -0.05 -0.01 -0.02 -0.05 0.00 0.01 0.11 -0.15 0.06 0.02 -0.06 0.01 0.09 -0.16 0.00 -0.06 0.03 -0.01 -0.10 0.12 -0.00 -0.11 0.12 -0.01 -0.04 0.15 0.04 0.02 -0.11 -0.01 0.28 -0.05 -0.02 0.18 0.07 -0.05 0.21 -0.04 -0.01 -0.08 -0.06 0.01 -0.01 -0.02 0.09 0.11 -0.13 -0.19 0.07 -0.21 -0.26 -0.04 -0.25 -0.23 -0.04 -0.00 -0.02 -0.01 -0.08 0.04 -0.08 -0.04 -0.12 0.01 0.06 0.04 -0.00 0.04 0.04 0.01 0.04 0.02 0.02 0.06 -0.01 0.05 0.09 -0.09 0.01 -0.03 0.03 0.01 0.08 0.18 0.03 0.10 -0.02 -0.03 0.01 -0.05 0.04 -0.01 -0.02 0.03 -0.10 0.01 0.01 -0.04 0.04 0.04 -0.09 -0.01 -0.02 0.07 0.00 -0.02 0.02 -0.04 0.02 -0.16 0.03 -0.07 -0.06 0.02 0.13 0.03 -0.28 0.05 0.30 -0.07 0.09 0.17 0.20 -0.01 0.05 0.16 -0.04 0.05 0.28 0.03 0.16 -0.02 0.08 0.09 -0.04 0.05 -0.01 -0.04 0.04 -0.17 0.02 -0.08 0.07 0.10 0.01 -0.19 0.12 0.09 -0.03 -0.09 0.06 -0.15 -0.02 -0.07 0.09 0.01 -0.02 0.02 0.01 -0.01 0.09 -0.00 -0.01 0.04 -0.04 -0.03 0.03 -0.07 -0.03 -0.01 0.03 0.16 -0.22 -0.10 -0.04 -0.30 0.14 -0.10 0.01 -0.11 0.01 -0.01 0.07 0.09 -0.03 0.06 0.00 -0.04 -0.01 0.01 -0.04 0.03 0.00 -0.02 0.00 -0.04 0.03 0.01 -0.02 -0.06 0.08 0.05 -0.05 0.01 -0.02 -0.05 -0.02 -0.09 0.09 -0.00 0.04 -0.04 -0.00 -0.02 0.02 0.04 0.07 -0.08 0.04 0.06 -0.05 -0.01 0.04 -0.04 0.05 0.05 0.25 0.04 0.01 -0.05 -0.09 0.00 0.10 -0.03 0.05 -0.02 0.04 -0.04 -0.04 0.14 -0.02 -0.11 0.08 -0.06 -0.08 -0.03 -0.02 -0.06 -0.01 -0.01 -0.02 -0.06 -0.08 -0.07 -0.01 -0.26 0.15 -0.04 -0.05 0.06 0.05 0.11 -0.12 0.05 -0.01 0.02 -0.00 0.08 -0.12 0.04 0.12 -0.03 -0.10 0.06 -0.06 0.08 0.28 0.18 -0.03 0.07 0.48 0.11 -0.08 0.21 0.04 0.04 -0.08 -0.11 0.01 -0.06 -0.12 0.06 0.18 -0.03 -0.08 0.09 -0.11 0.03 0.13 -0.03 0.03 -0.06 0.07 -0.05 -0.09 0.13 0.02 -0.01 -0.05 -0.01 0.02 -0.05 -0.03 -0.01 -0.02 -0.01 0.04 -0.03 0.01 -0.02 -0.01 -0.04 -0.02 0.01 -0.01 0.07 -0.03 -0.06 0.00 -0.01 -0.01 -0.00 -0.01 0.02 0.02 -0.04 0.05 -0.10 0.02 0.03 -0.00 -0.01 -0.05 0.15 -0.03 0.07 -0.10 0.02 0.00 0.03 0.01 0.05 0.05 -0.03 -0.03 0.08 -0.06 -0.01 -0.02 -0.01 0.01 -0.04 -0.06 -0.11 0.07 0.01 -0.08 0.02 -0.01 -0.07 -0.01 0.01 -0.06 0.01 -0.02 -0.01 -0.02 -0.02 -0.04 0.01 -0.02 0.08 -0.16 0.03 0.04 0.01 -0.01 0.10 -0.04 -0.13 -0.12 0.41 -0.20 -0.18 0.15 0.25 0.10 -0.16 0.04 0.04 0.02 0.01 0.01 0.07 0.04 -0.03 0.04 0.01 0.11 0.12 0.02 0.02 0.07 -0.10 0.01 0.40 -0.05 -0.06 -0.01 -0.38 -0.04 -0.03 0.09 -0.01 0.04 -0.01 0.00 -0.12 0.17 -0.06 0.06 0.01 0.01 -0.02 -0.02 0.03 0.01 -0.06 0.02 -0.04 -0.00 0.00 -0.01 0.00 0.01 0.02 -0.05 0.03 -0.03 -0.00 0.05 -0.01 -0.10 -0.00 -0.03 0.00 -0.03 0.01 0.02 -0.02 0.06 -0.00 0.00 0.04 -0.01 0.05 -0.07 -0.01 -0.03 0.09 -0.01 -0.00 -0.04 -0.01 -0.06 -0.03 0.06 0.01 0.05 -0.00 0.01 0.04 -0.06 0.10 -0.03 -0.20 -0.08 0.19 -0.05 0.08 -0.05 -0.09 0.04 -0.00 -0.15 0.03 0.01 -0.09 -0.00 -0.03 -0.00 0.00 -0.04 0.02 -0.04 0.09 -0.00 0.00 0.05 -0.01 -0.04 0.04 0.04 0.09 -0.21 0.09 0.13 -0.07 -0.16 -0.05 0.15 -0.01 -0.01 -0.04 -0.00 -0.01 -0.05 -0.01 0.01 -0.05 -0.01 -0.14 -0.07 0.04 -0.03 -0.06 0.14 -0.01 0.49 0.02 0.06 -0.08 -0.42 -0.00 -0.14 0.27 0.02 0.01 0.03 -0.02 0.02 -0.01 0.13 0.10 0.15 -0.05 -0.03 -0.11 -0.02 -0.02 -0.01 -0.05 -0.02 -0.09 -0.07 -0.04 -0.03 -0.01 0.08 -0.09 0.02 -0.01 -0.08 0.01 0.04 0.21 -0.12 -0.10 -0.02 0.05 0.04 0.02 -0.04 -0.03 0.03 0.05 -0.01 -0.02 0.08 -0.05 -0.14 0.01 -0.01 0.03 -0.05 -0.04 -0.04 0.05 0.04 0.00 -0.04 0.00 0.05 -0.03 -0.16 -0.01 -0.00 0.04 -0.21 0.00 0.20 -0.08 0.04 0.19 0.22 0.01 0.02 0.27 -0.01 -0.05 0.30 -0.12 -0.20 -0.04 -0.22 -0.08 0.02 -0.06 -0.05 0.07 0.10 -0.01 -0.01 0.00 0.02 -0.12 0.15 -0.14 -0.06 0.13 -0.06 -0.27 0.04 -0.01 0.08 0.06 -0.07 -0.08 -0.05 0.07 -0.01 -0.11 -0.09 -0.03 0.08 0.06 0.01 0.03 0.04 -0.03 -0.12 0.06 0.05 0.03 -0.02 0.01 -0.03 -0.05 0.14 -0.01 -0.02 -0.01 0.07 0.00 -0.02 -0.02 0.01 0.04 0.03 -0.07 -0.01 0.06 -0.03 -0.01 0.02 -0.08 -0.01 0.02 -0.07 -0.02 0.07 0.03 -0.06 -0.03 0.02 -0.03 0.12 -0.02 0.06 -0.05 0.04 -0.04 -0.01 -0.05 0.03 0.00 -0.04 -0.03 -0.06 0.08 -0.05 -0.08 0.10 -0.03 -0.04 0.04 -0.04 -0.10 0.14 0.13 -0.04 -0.09 0.06 0.07 -0.03 0.02 0.03 -0.06 -0.02 0.07 0.01 -0.13 0.07 0.10 -0.06 0.17 0.02 0.07 0.12 -0.01 0.04 0.10 -0.06 0.11 -0.06 0.05 -0.09 -0.08 0.07 -0.12 0.01 -0.04 -0.03 -0.11 0.17 -0.07 0.05 -0.06 -0.11 -0.14 0.32 -0.18 -0.18 0.11 0.21 -0.06 0.08 -0.06 -0.06 0.12 0.19 -0.07 0.15 0.23 -0.21 0.24 0.10 -0.13 -0.13 0.04 -0.01 -0.12 0.14 0.03 -0.01 0.02 0.11 -0.04 0.01 0.06 -0.06 0.05 0.03 -0.02 -0.03 -0.01 0.00 0.02 -0.02 0.06 0.05 -0.01 0.00 -0.01 0.02 0.03 0.03 -0.00 -0.01 -0.00 -0.04 0.05 -0.01 0.01 0.02 0.05 0.03 -0.05 0.00 0.03 0.03 0.02 -0.03 0.01 -0.00 -0.04 0.01 0.00 -0.05 0.10 -0.00 0.06 -0.09 0.02 0.00 0.01 0.00 0.01 0.00 0.02 0.01 -0.04 -0.09 -0.07 -0.04 0.01 0.04 -0.04 -0.03 0.04 0.04 0.04 0.03 0.03 0.07 0.02 -0.00 0.05 0.03 0.02 0.02 0.03 0.03 0.01 0.03 0.03 0.02 -0.02 -0.01 0.02 -0.02 0.00 0.04 -0.10 0.17 -0.01 0.10 -0.16 0.04 0.26 -0.31 -0.16 -0.07 0.44 -0.26 -0.23 -0.02 0.44 0.01 0.00 0.03 0.00 -0.03 -0.14 -0.01 -0.02 -0.14 0.05 -0.10 -0.07 -0.13 -0.06 0.00 -0.05 -0.05 0.07 0.09 -0.05 -0.03 0.06 -0.05 -0.04 -0.01 -0.08 -0.07 -0.05 0.09 0.03 0.03 -0.02 -0.06 -0.00 -0.07 -0.02 0.02 -0.05 0.01 -0.04 -0.12 -0.07 0.02 -0.02 0.02 0.01 0.04 -0.00 -0.02 -0.07 -0.15 0.04 -0.03 0.02 -0.05 -0.08 0.05 0.05 0.05 -0.01 0.03 -0.03 0.04 -0.01 0.07 -0.02 0.05 -0.06 0.02 0.01 0.04 0.01 0.02 0.01 -0.00 0.03 -0.01 -0.05 0.04 -0.01 0.06 -0.08 0.11 0.08 -0.12 -0.18 -0.09 -0.06 -0.08 -0.21 -0.03 0.00 -0.14 0.06 -0.00 0.08 -0.08 -0.12 0.00 -0.12 -0.09 0.16 0.05 0.12 0.03 0.13 0.03 -0.01 -0.04 0.13 -0.03 0.06 -0.09 0.02 0.13 -0.13 -0.09 -0.04 0.27 -0.14 -0.09 0.05 0.26 0.02 0.01 -0.00 -0.14 0.03 0.07 -0.01 -0.19 -0.20 0.21 0.07 -0.06 0.04 -0.04 0.04 0.05 -0.02 0.06 -0.24 0.15 0.08 -0.13 0.11 0.07 0.04 0.17 0.23 -0.02 0.04 0.04 -0.01 -0.03 0.06 -0.11 0.02 -0.07 0.01 -0.02 -0.03 0.00 -0.04 0.07 0.02 -0.02 -0.05 0.03 -0.02 -0.05 -0.01 -0.07 0.13 0.05 0.02 -0.06 -0.07 -0.02 0.11 0.02 0.01 -0.05 -0.04 -0.01 -0.01 0.04 -0.01 -0.02 0.06 0.05 -0.04 0.10 0.02 -0.13 0.06 0.03 -0.02 -0.01 0.02 -0.02 -0.07 -0.04 0.10 0.02 -0.00 -0.03 0.08 -0.07 0.09 -0.03 -0.05 0.21 0.00 -0.16 0.13 -0.20 0.04 0.08 -0.06 -0.04 0.25 -0.01 -0.04 0.04 0.02 0.05 -0.05 0.05 0.01 -0.08 0.03 -0.03 0.00 0.06 0.08 -0.04 0.03 0.07 -0.14 0.17 -0.04 -0.06 0.16 0.03 -0.22 0.06 0.05 -0.01 -0.11 0.04 0.10 -0.02 -0.10 -0.09 0.08 0.12 -0.04 -0.19 -0.06 0.09 -0.02 -0.08 0.20 0.21 -0.24 -0.04 -0.16 0.08 0.16 0.03 0.18 -0.31 -0.05 0.13 0.07 0.05 -0.00 0.04 -0.02 -0.12 -0.12 0.01 -0.01 0.00 0.05 0.01 0.02 -0.01 -0.02 -0.02 -0.03 -0.00 -0.01 0.05 0.00 0.05 -0.02 -0.04 -0.02 0.08 -0.01 -0.03 -0.10 -0.08 -0.01 0.03 -0.01 -0.01 -0.05 0.03 -0.01 -0.00 -0.06 -0.01 -0.04 -0.00 -0.02 -0.03 -0.01 -0.00 -0.05 -0.05 -0.02 0.10 0.10 0.02 0.09 -0.03 -0.02 0.07 0.04 0.03 0.06 0.01 0.07 0.04 -0.02 0.05 0.06 -0.05 -0.04 0.09 0.02 -0.03 0.10 -0.01 -0.06 -0.10 -0.19 -0.05 -0.20 -0.06 0.07 -0.06 0.06 -0.01 0.02 -0.08 -0.00 -0.00 -0.05 -0.05 -0.07 0.08 -0.08 -0.07 0.01 0.08 -0.03 -0.01 -0.00 0.24 -0.11 -0.32 0.01 0.28 0.23 -0.37 -0.29 0.02 0.19 0.12 0.03 0.06 0.13 -0.07 0.17 -0.08 -0.02 0.07 -0.02 0.02 0.05 -0.02 -0.11 0.02 -0.03 0.02 0.03 0.00 0.00 -0.01 -0.02 0.02 0.00 -0.03 0.01 0.02 -0.01 0.00 -0.02 -0.01 0.00 -0.05 0.05 -0.00 0.02 0.00 -0.01 -0.01 0.01 0.00 0.05 -0.03 -0.03 -0.04 0.03 -0.01 -0.01 -0.03 0.02 -0.05 0.06 0.01 0.03 -0.06 0.03 -0.07 0.19 -0.05 0.01 -0.04 0.03 0.00 -0.01 -0.09 -0.01 -0.04 0.03 0.03 -0.01 -0.00 0.01 0.01 -0.00 0.02 -0.00 -0.03 0.02 0.03 -0.01 0.08 -0.06 -0.02 0.05 -0.01 -0.08 0.03 -0.01 -0.02 -0.03 0.02 0.02 -0.03 0.03 0.01 -0.08 0.12 0.01 0.05 -0.10 0.03 -0.40 0.49 0.02 -0.08 -0.15 0.12 0.26 0.36 -0.33 0.04 -0.08 0.05 -0.06 0.01 -0.06 -0.03 -0.05 -0.21 0.13 -0.01 -0.08 -0.02 -0.04 0.03 -0.01 -0.03 0.04 0.05 -0.04 -0.00 0.02 0.00 0.02 0.03 0.01 -0.03 -0.02 0.02 0.01 -0.01 0.04 -0.00 0.01 -0.06 -0.02 -0.02 -0.02 -0.01 0.01 0.02 0.02 -0.03 -0.02 -0.01 -0.04 -0.03 0.01 0.00 0.03 0.04 -0.01 -0.01 -0.01 0.05 0.01 -0.02 -0.02 -0.01 0.01 0.00 -0.01 -0.01 -0.03 -0.03 0.03 -0.01 0.01 0.01 0.02 -0.02 -0.04 -0.02 0.00 0.03 0.03 0.03 0.00 0.04 0.03 -0.02 0.02 -0.04 -0.02 0.04 0.05 0.03 -0.01 0.04 0.08 0.02 -0.01 0.04 0.02 -0.03 -0.04 0.08 0.05 -0.01 0.09 -0.01 -0.07 -0.01 -0.02 0.05 -0.03 0.00 -0.04 -0.04 -0.04 0.05 0.01 0.03 0.01 0.06 -0.08 -0.08 0.04 0.04 -0.07 -0.03 -0.05 -0.00 -0.01 0.01 0.05 -0.25 0.08 0.41 -0.06 -0.29 -0.35 0.44 0.35 -0.05 0.09 0.04 -0.01 0.02 0.06 -0.06 -0.02 0.09 -0.01 0.16 -0.10 -0.14 -0.04 -0.19 0.09 0.00 0.00 0.00 0.01 0.07 -0.08 -0.02 -0.01 -0.00 0.01 -0.00 0.01 -0.00 -0.01 0.04 0.01 0.00 -0.00 0.01 0.01 -0.01 -0.00 -0.03 0.06 0.01 0.01 -0.00 -0.04 -0.01 0.02 0.01 0.01 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.01 0.01 0.01 -0.01 0.02 0.02 -0.02 0.02 -0.00 -0.01 -0.01 -0.01 -0.02 -0.02 -0.02 0.03 0.00 -0.02 0.01 0.03 -0.00 0.04 -0.07 0.01 0.19 0.06 -0.19 0.05 -0.17 -0.01 -0.01 -0.02 -0.00 0.13 0.03 -0.02 -0.08 0.01 0.03 -0.02 0.03 0.01 -0.01 0.01 0.00 -0.01 0.00 0.00 -0.01 -0.01 0.04 -0.02 0.03 -0.01 -0.00 0.04 0.03 -0.05 0.02 -0.01 -0.01 0.07 -0.02 -0.15 0.02 0.09 0.10 -0.14 -0.11 0.00 -0.05 -0.03 0.02 -0.01 -0.03 0.05 -0.26 0.38 0.03 0.31 -0.17 -0.32 -0.06 -0.34 0.43 0.00 -0.00 -0.01 0.18 -0.05 -0.02 -0.04 0.04 -0.01 0.02 0.02 0.04 0.03 -0.02 -0.00 -0.05 0.07 -0.00 -0.08 0.06 0.01 0.12 -0.08 -0.04 -0.08 0.09 -0.00 -0.07 -0.00 -0.01 -0.12 0.05 -0.01 -0.01 0.01 0.01 0.02 -0.12 0.08 -0.08 0.12 0.02 -0.01 -0.09 0.03 0.01 -0.09 0.07 -0.02 0.01 -0.17 -0.04 -0.01 0.01 0.13 0.05 0.06 -0.02 -0.02 -0.02 0.11 -0.08 -0.04 0.13 -0.08 -0.04 -0.07 0.02 -0.01 -0.13 -0.08 -0.02 -0.12 0.07 -0.00 -0.11 -0.03 0.01 -0.16 0.05 0.03 0.09 -0.27 0.11 -0.08 0.17 0.01 0.13 -0.17 0.06 0.06 -0.05 0.04 -0.15 -0.22 0.01 0.07 -0.22 0.10 -0.06 0.02 -0.19 -0.07 0.00 -0.34 0.16 -0.07 -0.14 -0.06 -0.02 0.00 -0.03 -0.01 0.03 0.07 0.06 0.06 0.08 0.06 0.06 0.20 0.10 0.11 -0.00 0.01 0.00 -0.08 0.02 0.01 0.00 -0.07 0.03 -0.01 -0.02 0.04 -0.02 0.01 0.03 -0.01 -0.01 0.01 -0.00 0.02 -0.01 -0.05 0.04 0.03 0.00 0.03 0.00 0.09 -0.02 -0.02 0.02 0.07 -0.03 -0.00 -0.03 0.03 0.04 -0.06 0.01 -0.01 0.08 0.00 0.06 -0.01 -0.04 0.03 -0.01 0.01 -0.02 0.01 -0.09 0.00 -0.02 0.02 -0.06 -0.02 -0.02 -0.02 0.04 0.03 -0.05 0.04 0.03 -0.04 0.03 0.03 0.55 -0.13 0.09 -0.01 -0.05 -0.47 -0.18 0.08 0.29 0.02 0.14 -0.01 0.09 0.06 -0.05 0.06 -0.12 0.04 -0.04 0.13 -0.01 0.09 -0.07 -0.08 0.12 0.04 -0.04 0.01 -0.05 -0.04 0.05 -0.04 0.01 0.03 0.01 -0.26 0.00 0.08 -0.02 -0.10 -0.14 -0.06 0.01 -0.03 0.01 -0.00 -0.01 0.02 -0.03 -0.02 -0.02 -0.03 -0.03 -0.03 -0.09 -0.05 -0.04 -0.00 0.01 0.00 -0.05 -0.00 0.02 0.01 -0.04 0.02 -0.01 -0.03 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.02 -0.01 0.02 0.00 -0.03 0.05 -0.04 -0.00 0.02 0.01 0.06 -0.02 -0.01 0.01 0.06 -0.01 0.00 -0.03 0.02 0.02 -0.03 0.02 -0.01 0.04 0.01 0.02 -0.01 0.02 0.02 -0.01 0.02 -0.01 0.01 -0.07 0.01 -0.02 0.02 -0.03 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.03 -0.13 -0.03 0.14 -0.03 -0.43 0.01 -0.13 0.24 0.14 0.44 0.40 -0.20 -0.36 0.01 0.11 0.01 0.07 0.05 -0.02 0.03 -0.06 0.03 -0.02 0.07 0.01 0.05 -0.04 0.02 0.03 0.01 0.01 -0.02 -0.04 0.03 0.03 -0.04 0.02 0.01 0.01 -0.18 -0.00 0.04 -0.04 -0.04 -0.10 -0.04 0.01 -0.04 0.01 0.01 -0.02 0.02 0.02 -0.07 -0.02 -0.06 0.00 0.03 -0.04 0.01 -0.08 -0.01 0.01 0.01 -0.06 0.02 -0.01 0.02 0.08 -0.07 0.04 -0.02 -0.10 0.02 -0.04 -0.03 0.06 0.02 -0.03 0.02 0.02 -0.01 -0.06 -0.03 0.05 0.05 0.02 -0.01 0.09 -0.04 0.05 -0.10 -0.03 -0.02 0.05 0.02 -0.05 0.05 -0.00 0.01 0.04 0.04 -0.03 -0.09 -0.02 0.22 0.05 0.01 0.01 -0.03 0.01 -0.06 0.01 -0.04 0.04 -0.06 -0.02 -0.02 0.09 -0.07 -0.01 -0.08 -0.00 0.16 -0.09 -0.14 0.04 0.19 0.01 0.08 0.10 -0.01 -0.00 0.05 -0.10 0.15 -0.11 -0.18 -0.08 -0.24 -0.01 0.05 0.05 -0.02 0.02 0.03 0.06 -0.03 -0.05 0.12 0.44 -0.27 -0.20 0.23 -0.08 -0.02 0.22 0.06 0.00 0.02 -0.07 0.01 0.03 -0.07 -0.04 -0.20 0.11 0.06 -0.07 -0.10 -0.05 0.04 0.06 -0.11 0.10 -0.06 0.02 -0.02 -0.01 -0.04 -0.06 -0.08 -0.07 0.00 0.01 -0.00 -0.00 0.02 -0.10 -0.05 -0.06 0.10 -0.01 -0.02 0.02 -0.01 0.00 -0.03 -0.00 -0.04 0.04 0.00 -0.03 0.03 0.02 0.01 -0.14 0.04 -0.05 0.03 -0.00 0.23 -0.06 0.05 0.05 0.03 0.04 -0.05 0.04 -0.02 -0.03 0.01 0.00 -0.03 -0.02 0.01 0.01 -0.01 -0.06 -0.02 -0.04 0.01 0.02 -0.01 0.04 -0.03 0.09 -0.07 -0.07 0.03 0.01 0.00 -0.01 -0.00 0.04 -0.10 0.20 0.02 -0.30 0.03 0.24 -0.04 0.06 0.36 0.14 0.10 0.33 -0.28 0.08 0.06 0.09 0.08 0.12 0.01 0.02 -0.02 0.01 -0.01 -0.01 -0.06 0.02 0.01 -0.04 -0.09 0.09 0.00 -0.03 -0.01 -0.05 -0.10 -0.00 -0.09 0.02 0.01 -0.00 0.00 0.03 -0.01 0.09 -0.03 -0.03 0.05 0.11 0.14 -0.05 -0.09 0.18 -0.16 -0.16 0.08 0.02 -0.17 0.04 -0.01 0.04 0.11 0.11 0.01 -0.01 -0.01 -0.01 -0.09 -0.06 -0.04 -0.05 0.05 0.03 0.07 0.15 -0.00 0.09 0.03 0.06 -0.10 0.03 0.07 -0.10 -0.04 0.04 -0.05 0.00 0.08 -0.13 0.04 0.01 0.09 0.01 -0.11 -0.05 -0.10 -0.05 0.01 0.06 0.08 -0.06 0.00 0.03 0.01 0.02 0.02 0.05 0.03 0.01 0.10 -0.02 -0.05 0.03 -0.11 -0.01 0.09 -0.07 -0.10 0.04 0.01 -0.06 0.12 0.02 0.12 -0.04 0.07 0.08 -0.10 0.01 -0.07 0.09 -0.00 0.04 0.12 0.09 0.07 0.05 -0.04 -0.12 -0.19 -0.19 -0.27 -0.01 -0.07 0.05 -0.04 0.02 -0.05 0.12 -0.00 -0.08 0.09 -0.02 -0.07 0.06 -0.02 0.13 0.18 0.11 -0.08 0.28 -0.08 -0.06 0.03 -0.03 -0.09 0.02 -0.22 0.05 0.08 -0.12 0.16 0.11 -0.07 -0.09 0.17 -0.18 -0.19 0.06 0.02 -0.22 0.06 0.02 0.02 0.14 0.10 -0.01 -0.01 -0.01 -0.04 -0.06 -0.04 0.05 -0.06 -0.03 0.07 0.08 0.12 0.01 0.07 0.04 -0.01 0.11 -0.01 0.02 0.08 -0.03 0.02 0.00 -0.00 -0.07 0.11 -0.03 0.05 0.06 -0.02 -0.08 -0.11 0.01 0.08 0.01 0.03 0.01 0.08 -0.05 -0.01 -0.03 -0.02 0.02 -0.02 -0.07 0.02 -0.06 -0.04 -0.01 -0.02 0.05 0.01 -0.12 0.09 -0.11 0.02 0.00 -0.03 0.11 0.03 0.08 -0.00 -0.01 0.07 0.02 0.00 0.01 0.00 -0.04 0.08 0.10 -0.01 0.09 0.05 -0.08 -0.08 -0.30 -0.08 -0.27 -0.07 0.13 0.04 0.07 -0.08 0.02 -0.15 0.00 0.10 -0.10 -0.09 0.14 0.02 -0.03 -0.07 -0.13 -0.12 0.07 -0.21 -0.05 0.00 -0.04 0.20 -0.02 -0.03 -0.00 0.05 0.12 0.02 -0.24 -0.19 0.07 0.12 -0.27 0.25 -0.17 0.03 0.00 -0.19 0.04 0.01 -0.03 0.10 0.05 -0.01 0.00 0.01 -0.01 -0.06 -0.03 0.09 0.00 -0.09 0.02 0.02 -0.07 0.04 0.10 -0.06 0.01 -0.06 -0.01 -0.04 -0.05 0.06 0.03 -0.04 0.03 -0.01 -0.11 -0.00 0.00 0.16 0.01 0.04 0.10 0.05 0.09 0.03 -0.06 -0.05 -0.07 0.08 -0.04 -0.01 0.03 -0.05 -0.01 -0.05 -0.10 0.02 0.07 0.01 0.00 -0.03 0.04 -0.09 0.06 -0.07 0.02 0.00 0.09 0.10 -0.05 0.12 -0.00 0.19 -0.00 -0.18 0.02 0.01 0.29 0.02 -0.04 0.09 0.07 -0.03 0.15 0.07 0.06 0.27 0.15 0.23 0.06 -0.06 -0.05 -0.06 0.08 -0.03 0.09 0.02 -0.13 0.01 -0.11 -0.06 0.01 -0.07 0.03 0.07 -0.03 -0.14 0.13 0.08 0.01 0.02 -0.19 0.02 0.04 -0.01 -0.00 -0.15 0.01 -0.23 -0.12 0.07 0.17 -0.27 0.21 -0.12 0.04 0.00 -0.14 0.03 -0.00 0.01 0.08 0.05 -0.00 -0.01 -0.01 -0.04 0.06 0.01 -0.01 0.21 -0.13 0.10 0.08 0.10 -0.01 -0.10 0.12 0.03 0.02 0.04 0.04 -0.01 0.04 -0.03 0.05 -0.02 -0.02 -0.13 0.05 -0.01 -0.19 -0.00 -0.06 0.02 0.03 0.12 0.08 -0.02 0.05 -0.07 0.04 -0.08 -0.05 0.05 0.00 0.00 -0.10 -0.11 0.04 0.01 -0.02 0.01 -0.04 0.08 -0.02 -0.00 -0.01 -0.01 -0.01 -0.04 -0.13 0.11 -0.12 0.01 -0.25 0.05 0.27 0.00 -0.04 -0.38 -0.02 0.02 -0.13 -0.09 0.03 -0.13 -0.12 -0.06 -0.05 -0.01 -0.11 0.03 0.06 0.10 -0.09 -0.01 -0.11 0.01 0.04 -0.11 -0.05 -0.29 0.09 0.13 -0.13 0.10 0.11 -0.07 -0.20 0.16 -0.07 -0.02 0.01 -0.07 -0.04 0.02 -0.12 0.07 -0.05 -0.02 0.02 -0.02 -0.00 0.12 -0.09 -0.00 0.01 -0.03 -0.01 0.05 -0.02 0.00 -0.06 -0.06 -0.04 0.00 0.01 0.01 -0.01 -0.05 -0.06 -0.01 0.02 -0.01 -0.00 0.00 0.01 0.03 0.01 0.18 -0.04 -0.02 -0.08 -0.05 -0.08 -0.05 0.09 0.06 0.02 -0.01 0.03 -0.10 -0.02 -0.06 -0.02 0.06 -0.01 -0.07 0.00 -0.01 -0.01 -0.05 0.02 0.06 0.09 0.02 0.01 -0.09 -0.04 0.02 0.05 0.04 0.09 0.01 0.01 0.01 -0.00 0.00 -0.01 -0.07 0.02 0.00 0.07 -0.01 0.19 0.11 0.01 -0.20 0.27 0.27 0.06 -0.06 -0.30 -0.04 -0.05 -0.07 -0.15 -0.02 0.12 -0.16 0.08 0.17 0.03 0.22 -0.03 -0.19 -0.13 0.05 0.14 0.20 0.01 0.02 0.00 0.01 0.19 -0.22 -0.13 0.01 -0.16 -0.09 0.05 0.07 0.06 0.15 0.04 -0.00 0.02 0.04 0.02 0.10 -0.09 0.05 -0.01 0.01 0.01 -0.00 -0.01 0.01 -0.01 -0.17 0.03 0.00 -0.15 0.04 0.02 0.02 0.09 0.08 0.00 0.02 0.01 -0.04 -0.04 -0.05 -0.05 0.04 0.02 0.02 -0.11 -0.10 0.12 0.02 0.09 0.08 -0.07 0.05 -0.02 0.10 0.06 0.09 0.07 0.04 0.05 -0.03 0.03 -0.04 0.02 -0.01 -0.05 0.04 0.13 -0.03 -0.07 -0.01 -0.04 0.00 -0.07 -0.07 0.06 -0.10 0.07 0.03 0.02 -0.01 -0.12 -0.07 0.01 -0.02 0.03 0.02 0.01 -0.03 -0.11 0.01 -0.01 0.23 -0.00 0.11 0.12 0.04 -0.09 0.22 0.19 0.07 -0.12 -0.05 -0.04 -0.16 -0.15 -0.04 -0.11 0.25 -0.11 -0.05 -0.06 0.10 -0.12 0.04 0.22 0.03 0.00 -0.15 -0.19 0.16 -0.13 0.02 0.02 -0.05 0.08 0.07 0.00 0.11 0.07 0.04 0.05 -0.22 -0.04 -0.01 -0.01 -0.01 -0.02 -0.02 -0.07 0.12 -0.10 0.06 0.21 0.04 -0.03 -0.07 0.14 -0.13 -0.19 0.02 -0.01 -0.18 0.03 0.01 -0.02 0.08 0.06 -0.00 -0.02 -0.03 -0.05 0.05 0.03 -0.12 0.08 -0.01 0.14 -0.05 0.09 0.08 -0.02 -0.12 0.09 -0.14 -0.02 0.04 -0.02 -0.02 -0.05 -0.00 0.00 -0.09 0.03 -0.07 -0.03 0.07 0.01 0.02 -0.02 -0.04 0.04 -0.03 0.13 0.00 0.14 0.06 -0.03 0.07 0.05 -0.11 -0.06 -0.08 0.06 -0.09 0.11 0.00 0.00 -0.00 0.11 0.01 -0.00 -0.03 -0.02 -0.02 0.06 0.01 -0.12 -0.07 0.03 0.11 -0.18 -0.10 -0.02 -0.05 0.28 0.01 -0.11 -0.08 0.13 -0.09 0.08 0.09 0.02 0.02 -0.03 0.05 -0.02 -0.07 -0.08 0.28 0.06 0.04 0.15 0.05 -0.04 -0.08 -0.03 -0.07 -0.09 -0.05 -0.17 -0.14 -0.13 0.10 -0.24 0.09 0.01 -0.00 0.02 0.01 -0.00 0.02 -0.03 0.04 -0.01 0.41 -0.01 -0.05 -0.01 0.15 -0.21 0.02 -0.02 -0.02 0.02 -0.02 -0.03 -0.08 -0.06 -0.06 0.00 0.02 0.03 0.00 -0.03 -0.02 0.05 0.05 -0.02 -0.07 -0.09 -0.15 0.04 0.01 0.03 -0.01 -0.03 0.11 0.15 -0.13 -0.02 0.05 0.03 0.02 -0.16 0.13 0.17 -0.01 0.01 -0.01 0.03 -0.05 -0.16 -0.02 -0.04 -0.11 0.08 0.10 -0.00 -0.11 -0.06 0.23 0.05 0.02 0.03 -0.01 -0.01 0.03 -0.04 0.04 -0.08 -0.01 -0.02 -0.04 -0.02 0.00 0.00 0.13 -0.02 0.05 0.07 0.02 -0.02 0.12 0.06 0.03 -0.02 -0.01 -0.01 -0.07 -0.06 -0.04 -0.06 0.11 -0.02 0.01 -0.08 -0.25 -0.05 -0.02 -0.18 -0.01 0.27 -0.02 -0.13 -0.22 0.25 0.06 -0.09 -0.12 0.36 0.10 0.12 -0.01 -0.11 -0.15 -0.09 -0.07 -0.15 -0.05 0.04 -0.02 -0.02 -0.00 -0.02 -0.10 0.11 -0.10 -0.05 0.02 -0.00 0.01 -0.02 0.01 -0.06 0.01 0.00 -0.06 0.01 0.01 0.02 0.04 0.03 0.01 0.03 0.05 -0.00 0.00 -0.00 0.09 -0.10 0.07 0.01 0.02 -0.06 0.02 -0.02 0.01 0.10 0.02 -0.04 0.11 0.18 -0.01 0.00 0.01 0.00 -0.05 -0.16 -0.06 -0.00 -0.05 0.01 0.00 0.03 0.05 -0.10 -0.02 -0.13 0.22 0.10 0.08 -0.04 0.05 0.06 -0.20 -0.10 -0.15 0.04 0.00 0.06 0.01 -0.02 0.03 -0.19 0.03 -0.07 -0.01 -0.00 -0.00 0.04 -0.05 0.02 -0.02 -0.00 -0.04 0.02 0.04 0.00 -0.00 -0.09 0.01 0.00 -0.04 -0.01 0.00 -0.04 -0.01 -0.01 -0.15 -0.05 -0.16 0.04 0.23 0.29 0.03 0.05 0.01 0.23 0.04 -0.28 -0.07 -0.18 -0.26 -0.09 -0.18 -0.11 0.00 -0.08 -0.01 -0.07 -0.07 -0.04 0.00 0.03 0.01 -0.07 0.01 0.05 -0.03 0.04 -0.29 0.09 -0.02 -0.16 0.05 0.06 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.02 -0.01 -0.01 -0.10 -0.01 0.04 0.00 -0.10 -0.07 0.09 -0.01 -0.03 -0.04 0.17 -0.03 0.04 0.06 0.02 0.03 0.02 0.02 -0.05 0.07 -0.04 0.01 0.04 -0.01 -0.01 0.04 0.05 -0.01 -0.08 0.10 0.13 -0.10 0.04 0.07 -0.15 0.02 -0.07 -0.02 -0.04 -0.07 0.18 -0.03 -0.00 0.00 0.00 0.07 -0.03 0.05 -0.03 -0.00 -0.01 0.13 0.01 -0.02 0.04 0.03 0.03 0.03 0.01 0.02 -0.03 0.13 -0.02 -0.07 -0.10 0.03 -0.06 0.13 0.00 -0.02 -0.03 -0.00 -0.07 0.04 0.11 0.25 -0.31 0.05 0.22 -0.40 0.07 -0.03 -0.02 -0.01 -0.04 -0.03 -0.02 -0.10 -0.07 -0.08 -0.14 0.30 -0.09 -0.03 0.02 -0.05 -0.02 -0.02 -0.04 0.05 -0.07 0.02 0.33 -0.06 0.01 -0.05 0.13 -0.12 -0.05 0.00 -0.01 -0.05 0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.02 -0.04 0.02 -0.02 -0.01 -0.05 0.04 -0.03 -0.09 -0.05 -0.06 -0.04 0.02 0.02 -0.12 0.06 -0.00 -0.10 0.20 -0.14 0.01 0.00 0.01 0.04 -0.20 0.09 0.01 0.03 -0.01 0.07 -0.09 -0.14 0.04 -0.00 0.06 0.04 0.02 -0.00 -0.06 0.10 0.11 0.01 -0.00 0.03 0.06 0.00 0.02 0.03 -0.03 0.04 0.12 -0.02 0.08 0.02 0.01 0.01 -0.02 0.04 0.02 0.04 -0.00 0.01 0.04 -0.00 0.01 0.01 0.01 -0.01 0.02 0.06 -0.02 0.02 0.02 -0.02 0.09 -0.12 -0.10 0.03 -0.10 -0.01 0.12 -0.28 0.14 -0.15 0.23 0.09 -0.17 0.05 -0.09 -0.09 0.07 -0.06 0.19 0.22 0.15 0.09 -0.15 -0.03 0.05 -0.06 0.25 0.09 -0.07 0.26 -0.20 0.24 -0.04 0.16 -0.07 0.04 0.11 -0.02 0.02 -0.00 0.01 0.01 -0.01 0.01 0.01 0.04 0.02 0.02 -0.03 -0.07 -0.10 0.04 -0.04 -0.02 -0.04 -0.06 -0.02 -0.17 -0.00 -0.15 -0.16 0.06 0.09 0.05 -0.07 0.02 0.13 -0.08 0.07 0.00 -0.00 0.01 -0.02 0.01 -0.03 -0.01 -0.00 0.01 -0.04 0.07 0.11 0.02 0.15 0.13 0.08 0.08 -0.02 0.01 0.02 -0.02 -0.08 -0.03 -0.05 0.08 -0.04 -0.03 -0.01 0.00 -0.00 0.13 0.15 0.22 0.05 0.01 0.02 -0.10 -0.01 0.10 0.04 -0.02 -0.04 0.12 0.05 0.03 0.07 -0.24 0.02 0.11 0.23 -0.14 0.08 -0.11 -0.04 -0.06 -0.02 0.01 -0.12 0.09 0.12 -0.02 0.35 -0.11 -0.03 0.13 -0.04 -0.02 -0.04 -0.01 -0.06 -0.07 -0.03 -0.11 -0.09 -0.08 0.02 0.04 -0.09 -0.05 0.03 -0.16 -0.06 0.01 -0.16 0.15 -0.20 0.05 -0.00 0.04 0.15 0.20 -0.03 0.15 0.02 0.02 0.02 0.02 0.02 0.02 0.08 0.04 0.04 -0.01 -0.06 -0.07 -0.04 0.03 0.01 0.04 -0.13 0.01 0.09 0.04 -0.06 0.20 -0.08 -0.07 0.05 0.05 -0.04 -0.03 0.03 -0.01 0.04 0.03 0.02 0.00 0.00 0.01 0.01 -0.10 0.02 0.02 -0.05 -0.09 0.01 0.17 0.08 -0.04 -0.01 0.05 -0.06 -0.03 0.00 0.07 0.04 0.05 -0.13 -0.03 0.06 -0.01 0.00 -0.02 -0.13 0.27 0.16 -0.07 -0.01 -0.02 0.28 -0.10 -0.05 0.02 0.03 0.01 0.01 0.04 0.02 -0.08 0.06 0.00 -0.13 -0.35 0.11 -0.09 0.07 0.02 0.03 0.06 -0.03 0.11 -0.07 -0.11 0.02 -0.11 0.03 -0.00 -0.06 0.02 0.04 0.03 -0.00 0.11 0.07 0.05 0.11 0.06 0.04 -0.10 -0.09 0.08 0.06 -0.03 0.10 0.02 0.03 0.07 -0.11 0.14 -0.07 -0.31 0.21 0.13 -0.06 0.13 0.19 -0.06 -0.01 -0.02 -0.06 -0.01 -0.02 -0.07 -0.01 -0.02 -0.00 -0.01 -0.01 -0.01 0.01 0.01 0.05 0.02 -0.05 -0.01 -0.01 0.06 0.11 -0.03 -0.05 -0.08 -0.17 0.07 -0.12 0.02 -0.06 0.03 0.01 0.01 -0.07 0.03 0.08 0.02 -0.04 -0.00 -0.07 0.04 0.09 0.03 0.05 -0.03 -0.03 -0.08 -0.14 0.07 0.02 0.17 -0.10 -0.03 -0.04 0.27 0.15 -0.16 0.01 -0.03 0.05 -0.04 0.10 0.01 -0.03 -0.01 -0.01 0.09 0.01 -0.05 0.03 0.02 0.04 -0.02 -0.01 -0.00 -0.06 0.13 -0.01 -0.10 -0.25 0.11 -0.07 0.07 0.03 -0.06 0.14 0.16 0.04 0.01 0.08 -0.11 -0.21 0.08 -0.10 -0.15 0.17 -0.06 -0.08 -0.07 0.00 -0.03 0.01 -0.15 -0.11 -0.12 0.29 0.08 -0.18 0.10 -0.05 -0.00 -0.03 0.08 -0.09 0.16 -0.13 0.09 -0.26 0.09 0.02 0.06 -0.03 0.13 -0.03 -0.01 -0.01 -0.03 -0.01 -0.01 -0.03 -0.01 -0.01 0.00 0.00 0.01 -0.01 0.00 0.00 -0.02 -0.01 0.00 -0.01 0.01 -0.01 0.06 -0.03 -0.03 -0.09 0.17 -0.02 0.02 -0.07 0.01 0.02 0.01 0.01 0.02 -0.05 0.02 0.02 -0.02 -0.00 -0.03 -0.01 0.02 0.02 0.00 0.04 0.01 -0.01 -0.02 0.01 -0.00 0.02 -0.01 -0.01 -0.01 0.08 -0.09 -0.01 -0.01 -0.00 0.01 -0.02 -0.03 -0.02 -0.02 -0.00 -0.01 0.06 0.01 -0.03 0.02 0.02 0.02 -0.00 -0.01 0.00 -0.02 0.08 -0.01 -0.04 -0.13 0.05 -0.03 0.04 0.02 -0.04 0.15 0.02 0.12 -0.04 -0.03 -0.24 0.48 -0.10 -0.23 0.45 -0.06 -0.04 -0.00 -0.03 -0.03 -0.01 -0.02 0.02 0.02 0.02 -0.17 0.44 -0.12 0.09 -0.04 0.01 -0.04 0.11 -0.10 0.08 -0.02 0.01 0.03 -0.03 -0.03 -0.04 -0.01 -0.04 -0.02 -0.00 -0.00 -0.02 -0.00 -0.00 -0.01 -0.00 -0.00 0.02 0.02 0.04 0.00 -0.00 -0.00 -0.04 -0.05 -0.04 -0.04 -0.02 -0.08 0.00 -0.00 -0.01 -0.01 0.03 -0.01 0.04 -0.08 0.02 0.01 0.01 0.01 0.01 -0.05 0.01 -0.00 -0.02 0.01 -0.04 -0.02 0.03 0.12 0.15 0.22 -0.01 0.07 -0.02 -0.04 0.07 -0.00 -0.00 -0.02 0.00 -0.00 0.04 -0.02 -0.02 0.01 0.00 -0.10 -0.08 -0.18 -0.00 0.00 -0.00 0.04 -0.02 0.00 0.03 0.01 0.01 0.03 0.02 0.02 0.00 -0.02 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.06 0.21 0.02 0.16 -0.06 -0.06 0.16 -0.25 0.04 0.14 -0.35 0.07 -0.08 0.01 -0.05 -0.05 0.03 -0.05 0.09 0.09 0.06 0.22 -0.46 0.04 0.12 -0.04 0.00 -0.07 0.15 -0.14 0.12 -0.01 0.01 -0.07 -0.14 -0.22 -0.02 -0.19 -0.13 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.01 0.01 0.01 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.01 0.02 0.03 0.02 0.01 0.02 -0.01 -0.00 0.01 -0.00 0.05 -0.01 0.03 -0.04 0.01 -0.01 -0.01 -0.01 0.01 -0.03 0.00 0.00 0.01 -0.00 -0.07 -0.05 0.02 -0.05 -0.08 -0.10 0.02 0.05 -0.00 -0.03 0.03 -0.01 0.01 -0.01 0.00 -0.01 0.02 -0.01 -0.03 -0.01 0.00 0.04 0.02 0.08 0.00 0.00 0.00 -0.03 -0.00 0.00 -0.02 -0.01 -0.01 -0.02 -0.01 -0.01 0.01 0.00 -0.00 0.01 0.03 -0.01 0.01 0.02 -0.01 -0.10 0.45 0.04 0.42 -0.17 -0.07 0.12 -0.10 -0.00 0.07 -0.18 0.03 -0.05 0.01 -0.03 -0.03 0.02 -0.03 0.06 0.06 0.04 0.10 -0.24 -0.00 0.32 -0.14 0.13 -0.11 0.35 -0.22 0.16 0.08 -0.01 0.07 0.05 0.09 -0.01 0.10 0.04 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 -0.00 -0.01 -0.01 -0.01 -0.00 -0.02 -0.03 -0.05 0.02 0.03 0.08 -0.12 0.01 -0.06 0.15 -0.04 -0.02 -0.01 -0.00 -0.03 0.08 -0.02 -0.01 0.02 0.01 -0.05 -0.05 -0.02 0.03 0.05 0.06 0.07 -0.05 0.03 0.02 -0.09 0.01 0.01 0.03 0.01 -0.03 -0.01 0.01 -0.01 -0.04 0.01 -0.03 -0.02 -0.06 0.01 0.00 0.00 -0.03 -0.03 0.03 -0.01 -0.01 -0.02 0.01 0.01 -0.00 0.02 -0.09 0.01 0.05 0.12 -0.05 0.04 -0.03 -0.03 -0.06 0.32 0.04 0.34 -0.18 0.04 0.01 0.12 -0.04 -0.12 0.23 -0.04 0.12 -0.01 0.07 0.10 -0.02 0.07 -0.10 -0.11 -0.08 -0.22 0.33 -0.09 0.30 -0.16 0.24 -0.04 0.26 -0.06 0.03 0.20 -0.05 -0.03 -0.04 -0.07 0.00 -0.05 -0.03 0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.04 0.01 -0.05 0.09 -0.08 -0.02 -0.00 -0.07 0.12 -0.01 0.04 -0.02 -0.01 -0.02 -0.01 -0.11 -0.12 -0.05 -0.01 -0.01 0.01 0.03 0.20 -0.01 -0.00 0.01 0.00 0.09 -0.03 0.03 -0.03 -0.02 -0.02 -0.01 0.01 0.04 -0.00 -0.01 0.00 0.03 0.00 -0.01 0.01 0.00 0.01 -0.15 0.05 0.06 0.03 0.01 0.01 0.04 -0.23 0.12 -0.28 -0.17 -0.30 -0.05 0.10 -0.03 0.02 -0.11 -0.03 0.07 0.31 -0.20 0.11 0.32 -0.21 -0.00 -0.02 0.00 -0.05 0.03 -0.03 -0.07 0.02 0.01 -0.02 -0.03 0.04 -0.03 -0.00 -0.03 0.00 0.02 -0.01 0.03 0.02 0.01 0.01 0.04 -0.02 -0.04 0.02 -0.04 0.01 -0.04 -0.00 0.02 -0.06 0.03 0.14 0.12 0.08 -0.30 0.22 -0.15 0.06 -0.02 0.01 0.09 -0.00 0.01 -0.03 -0.05 -0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.02 0.00 -0.01 0.01 0.07 0.07 0.16 0.02 0.02 0.16 -0.01 -0.01 -0.00 0.05 0.02 0.09 0.00 0.01 -0.00 0.08 -0.10 -0.02 0.01 0.00 0.00 -0.12 -0.01 -0.02 0.09 -0.02 -0.09 -0.14 -0.05 -0.07 0.05 0.02 -0.01 -0.07 0.06 -0.13 -0.01 0.01 -0.00 0.00 0.00 0.00 0.01 -0.01 0.01 -0.02 -0.01 -0.02 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.02 -0.00 0.00 0.02 -0.01 0.07 -0.08 -0.04 0.14 -0.15 0.10 0.04 -0.28 -0.00 -0.08 0.21 -0.15 -0.17 -0.16 -0.24 0.06 0.01 -0.01 -0.13 -0.10 -0.21 0.17 0.11 0.24 0.02 0.00 0.15 -0.02 0.12 0.06 -0.27 0.39 -0.22 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.03 -0.01 0.05 0.02 -0.00 0.00 0.00 0.01 -0.00 0.02 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.03 -0.12 0.02 -0.03 0.10 -0.04 -0.02 -0.03 -0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.02 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.01 0.00 -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 0.02 -0.03 -0.00 0.02 -0.03 0.08 -0.30 0.59 -0.12 0.28 -0.58 0.08 -0.11 -0.01 -0.08 -0.04 0.04 -0.05 0.07 0.07 0.03 0.01 0.05 0.04 0.02 -0.02 0.08 0.02 0.02 0.05 -0.08 0.12 -0.06 -0.03 -0.01 -0.01 0.02 -0.01 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.01 0.00 -0.01 0.00 0.05 -0.00 -0.04 0.04 0.02 -0.03 -0.07 0.06 -0.05 0.02 -0.01 -0.00 -0.01 0.00 -0.00 0.07 0.08 0.03 -0.00 -0.00 0.01 -0.06 -0.07 0.01 -0.00 -0.00 -0.00 0.05 -0.01 0.00 -0.03 -0.02 -0.01 -0.00 0.01 0.03 -0.01 -0.00 0.00 0.01 0.01 -0.01 0.00 -0.00 0.00 -0.12 -0.08 0.11 -0.01 -0.01 -0.00 -0.07 0.06 -0.05 0.18 0.11 0.19 0.04 -0.07 0.01 0.06 -0.05 0.04 0.06 0.09 0.01 0.00 -0.30 0.10 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.05 0.01 0.00 -0.01 -0.03 0.03 -0.02 -0.02 -0.02 0.02 0.01 0.01 -0.00 -0.01 -0.02 0.02 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.50 0.12 0.20 -0.41 0.22 -0.41 -0.03 0.01 -0.00 -0.05 0.00 -0.00 0.03 0.03 0.02 -0.00 -0.00 -0.00 0.00 -0.01 -0.03 0.01 0.00 -0.01 -0.00 -0.01 0.02 -0.02 -0.03 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.03 -0.03 0.10 0.00 0.00 -0.01 -0.02 0.00 -0.08 0.00 -0.00 0.00 0.01 -0.01 0.00 0.01 0.01 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.02 0.00 -0.00 0.18 0.30 0.04 -0.14 -0.13 -0.37 0.22 0.40 0.16 0.14 0.44 -0.01 0.06 0.05 0.17 -0.07 -0.33 0.26 0.00 0.00 0.02 0.01 -0.01 0.01 0.02 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.01 0.02 -0.01 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.00 0.01 -0.00 -0.02 0.01 0.00 -0.02 0.02 0.01 -0.05 -0.01 -0.00 0.02 0.01 0.03 0.06 0.02 0.05 -0.00 0.00 0.00 0.02 0.13 0.09 -0.05 -0.04 0.06 0.07 0.07 -0.08 -0.02 -0.02 -0.01 0.07 0.03 -0.04 -0.01 -0.00 -0.01 0.18 -0.14 -0.02 -0.01 -0.01 0.02 -0.08 0.04 -0.01 -0.01 0.01 -0.01 -0.08 0.03 -0.01 -0.07 -0.04 -0.04 -0.01 0.01 0.07 -0.02 -0.00 0.02 0.03 0.01 -0.01 0.01 -0.01 0.01 0.07 -0.04 -0.02 -0.15 -0.02 -0.04 0.06 -0.14 0.00 0.06 -0.17 -0.21 0.26 0.10 0.03 0.18 -0.12 0.04 0.17 0.44 -0.12 0.11 -0.33 0.03 -0.01 0.02 0.01 -0.01 0.01 -0.05 -0.10 -0.04 0.01 -0.04 -0.02 0.08 -0.04 -0.05 -0.08 0.09 0.05 0.04 0.01 -0.00 -0.06 0.03 0.02 0.00 -0.00 -0.00 -0.01 0.01 -0.02 0.00 0.02 -0.04 0.02 0.02 -0.07 -0.04 0.11 -0.09 0.03 -0.01 -0.06 -0.03 0.02 -0.04 -0.03 -0.31 -0.16 -0.15 -0.00 -0.01 -0.00 0.02 0.11 0.10 0.05 0.07 -0.08 -0.09 -0.17 0.10 -0.08 -0.02 0.00 -0.13 -0.03 0.06 0.02 -0.00 0.01 0.22 -0.05 -0.05 0.01 0.01 -0.03 -0.01 0.03 -0.04 0.03 -0.02 0.03 0.13 -0.08 0.02 0.11 0.07 0.05 0.01 -0.01 -0.10 0.04 0.00 -0.02 -0.03 -0.03 0.01 -0.03 0.03 -0.04 -0.09 0.11 -0.01 -0.15 -0.03 -0.04 -0.32 0.06 -0.05 0.25 0.01 0.15 0.18 -0.17 -0.05 0.02 0.17 -0.02 0.00 0.03 0.05 -0.02 -0.07 0.06 0.03 -0.04 0.05 0.03 -0.04 0.09 0.18 0.03 -0.01 0.06 0.00 -0.10 0.08 0.09 0.14 -0.18 -0.09 -0.07 0.00 0.02 0.11 -0.08 0.03 -0.05 -0.01 0.02 0.02 -0.02 0.03 -0.00 -0.06 0.07 -0.05 -0.26 0.07 -0.04 -0.06 0.13 0.16 -0.00 -0.04 -0.03 -0.03 -0.04 -0.05 -0.27 -0.13 -0.14 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.01 0.03 -0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.01 -0.02 -0.01 -0.01 0.01 -0.01 0.02 0.01 -0.01 0.00 -0.02 -0.02 -0.00 0.00 0.03 -0.04 0.06 -0.01 -0.00 -0.00 -0.03 0.06 -0.03 -0.05 0.06 0.04 0.03 -0.00 -0.01 0.06 -0.11 0.01 -0.03 0.04 -0.04 0.01 0.01 -0.01 0.01 0.00 0.00 0.02 -0.02 -0.00 0.00 0.02 0.02 -0.02 -0.00 0.00 0.02 -0.05 0.01 0.02 0.06 -0.03 0.02 -0.05 -0.00 0.05 -0.04 0.13 0.05 -0.04 0.06 0.18 -0.37 0.05 0.14 -0.38 0.12 0.03 0.07 0.09 -0.11 -0.04 -0.05 0.03 0.04 0.09 -0.32 0.60 -0.19 -0.06 0.05 -0.01 -0.01 0.02 0.02 -0.08 0.07 -0.05 -0.03 -0.01 -0.02 0.02 -0.01 0.03 -0.01 0.01 0.00 -0.01 0.00 0.00 0.04 0.02 0.02 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.04 -0.01 0.02 -0.00 0.01 -0.01 -0.01 -0.04 -0.02 -0.01 0.02 -0.01 -0.02 -0.01 -0.01 -0.01 -0.05 0.01 0.00 0.01 0.06 -0.08 0.13 -0.02 0.02 -0.00 0.04 -0.03 -0.02 -0.02 -0.03 0.10 0.06 0.02 -0.04 -0.02 0.06 -0.04 -0.06 0.08 -0.10 0.01 -0.03 0.01 -0.00 0.00 -0.00 0.04 -0.01 0.01 -0.03 -0.03 -0.04 -0.01 0.01 -0.01 -0.01 -0.02 -0.00 -0.01 -0.03 -0.01 0.01 0.04 -0.02 0.12 -0.11 0.31 0.11 -0.10 0.20 -0.07 0.23 -0.09 -0.15 0.16 0.06 0.19 0.16 0.29 -0.24 -0.16 -0.08 -0.06 -0.01 0.15 0.10 -0.40 -0.13 -0.12 0.09 0.02 -0.01 0.03 0.06 -0.23 0.23 -0.15 0.08 0.01 0.03 -0.02 -0.02 -0.07 0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.02 -0.01 -0.01 -0.01 -0.01 0.01 -0.01 -0.05 -0.03 -0.02 0.01 0.01 0.14 -0.11 0.00 -0.08 0.01 -0.04 0.02 0.07 -0.03 0.00 -0.01 0.00 0.00 0.12 0.05 -0.00 -0.00 -0.00 -0.08 0.01 0.00 0.00 -0.00 0.01 0.04 -0.08 0.02 -0.04 -0.05 -0.03 0.00 -0.02 0.07 0.01 -0.01 -0.01 -0.01 0.03 -0.01 -0.01 0.01 -0.00 0.00 0.12 -0.06 0.05 -0.00 0.01 -0.04 -0.12 -0.04 0.10 0.15 0.21 -0.04 -0.05 0.02 0.12 -0.14 0.04 0.13 0.37 -0.12 0.07 -0.29 0.02 0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.11 0.09 -0.05 -0.09 0.15 0.04 -0.02 0.02 0.01 -0.04 -0.00 -0.03 0.03 0.04 0.05 0.09 -0.18 0.03 -0.01 0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.03 0.01 -0.36 -0.09 -0.19 0.13 0.08 0.36 -0.04 0.04 0.01 -0.08 0.02 0.01 0.16 0.10 0.08 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.02 0.00 0.01 0.00 -0.00 -0.00 -0.03 -0.03 -0.08 -0.04 -0.02 -0.04 -0.00 0.01 0.00 -0.05 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.05 0.08 0.00 -0.00 0.00 0.07 0.04 0.07 0.00 -0.02 -0.08 -0.03 -0.00 0.13 0.04 0.02 -0.03 -0.01 0.06 -0.04 0.00 0.00 -0.00 0.01 0.00 0.00 0.02 -0.03 -0.00 -0.00 0.01 0.02 -0.01 -0.00 0.00 0.02 -0.04 0.01 0.01 0.05 -0.03 0.02 -0.04 -0.00 0.08 -0.00 0.35 0.08 -0.05 -0.04 -0.01 0.06 0.18 -0.03 0.03 -0.10 -0.23 -0.21 -0.37 0.46 0.30 0.18 0.19 0.07 -0.16 0.03 -0.02 -0.09 -0.16 0.11 -0.07 0.03 -0.09 0.08 -0.14 0.03 -0.04 -0.01 -0.01 -0.01 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 0.02 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.01 -0.01 0.03 -0.01 -0.01 -0.01 0.00 0.00 0.01 0.01 0.06 -0.12 0.02 -0.00 0.01 -0.00 -0.02 0.01 0.00 0.01 -0.01 0.00 0.02 0.01 0.01 -0.03 0.04 -0.01 -0.05 0.14 -0.01 0.00 -0.00 -0.00 0.02 -0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.01 0.00 0.01 0.01 0.01 -0.01 0.01 0.01 -0.00 0.00 0.01 0.03 -0.01 0.01 -0.01 -0.00 -0.00 0.02 0.08 0.01 0.01 -0.02 0.01 0.03 -0.00 0.05 -0.16 0.03 0.41 -0.10 0.15 0.28 -0.14 0.28 -0.47 -0.40 -0.37 -0.01 -0.02 -0.03 -0.02 -0.00 0.04 0.04 -0.05 0.08 -0.07 0.04 -0.03 -0.02 -0.02 -0.02 -0.00 0.03 0.03 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.02 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.02 0.02 -0.01 -0.02 -0.06 0.03 0.05 -0.05 0.00 -0.01 -0.02 -0.01 -0.04 -0.01 0.02 -0.01 -0.01 0.15 -0.06 0.04 0.01 -0.01 0.00 -0.05 -0.04 -0.03 0.03 0.03 0.04 -0.02 0.03 0.05 -0.04 -0.01 0.03 -0.12 0.07 0.04 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.03 0.07 0.01 0.01 -0.01 0.00 0.01 -0.02 -0.01 -0.03 0.05 -0.01 -0.03 -0.09 0.04 -0.03 0.03 0.02 0.05 -0.15 -0.34 -0.04 -0.05 0.28 -0.06 0.01 -0.08 0.22 0.08 0.05 0.02 -0.09 -0.07 0.21 0.08 0.12 -0.03 -0.05 -0.12 -0.02 0.01 0.10 0.10 0.02 -0.20 -0.25 0.28 -0.40 0.32 -0.17 0.12 -0.02 -0.00 -0.01 0.00 0.01 0.01 0.02 -0.00 0.00 0.02 -0.00 -0.00 -0.03 -0.02 -0.02 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.02 0.04 0.03 0.00 0.00 -0.08 0.06 -0.05 0.00 0.00 -0.02 -0.03 -0.03 -0.01 -0.04 0.02 -0.02 -0.01 -0.02 0.14 0.03 0.02 -0.02 0.01 -0.05 -0.01 -0.03 0.02 0.01 0.06 -0.00 -0.00 0.05 -0.01 -0.01 -0.00 0.01 -0.10 -0.07 -0.01 0.01 -0.00 0.00 0.01 0.01 -0.06 0.15 0.03 0.02 -0.02 0.01 0.01 -0.04 -0.03 -0.04 0.09 -0.02 -0.04 -0.14 0.07 -0.05 0.03 0.05 -0.03 -0.10 -0.07 -0.08 0.08 0.43 0.01 -0.08 -0.05 0.14 0.11 0.06 -0.06 -0.05 -0.09 0.15 0.11 0.06 0.09 0.05 -0.03 -0.02 -0.03 -0.03 0.21 -0.21 0.39 0.09 0.10 0.21 -0.18 0.38 -0.19 -0.01 -0.05 -0.05 -0.02 0.07 0.07 0.05 -0.01 0.01 0.04 -0.00 -0.00 -0.06 -0.03 -0.04 -0.00 -0.00 0.00 -0.05 0.01 0.00 -0.01 -0.00 0.00 0.05 -0.05 -0.04 -0.06 0.16 0.09 0.09 0.05 -0.01 -0.03 0.02 0.01 -0.00 -0.08 -0.10 0.02 0.00 -0.00 0.04 -0.08 -0.02 -0.05 -0.07 -0.01 0.02 -0.03 0.01 -0.01 -0.02 -0.03 -0.02 0.00 0.05 -0.02 -0.00 -0.01 0.00 0.00 -0.00 0.03 0.04 0.01 -0.01 0.03 -0.01 0.02 0.04 0.04 -0.08 0.42 0.09 0.05 -0.06 -0.00 0.01 -0.10 -0.09 -0.08 0.19 -0.03 -0.08 -0.32 0.19 -0.12 0.02 0.14 -0.00 0.11 0.19 0.09 -0.04 -0.34 -0.00 0.02 -0.08 -0.02 -0.01 0.05 -0.01 -0.02 -0.02 0.01 0.00 0.00 -0.01 -0.00 -0.03 -0.01 -0.01 -0.02 -0.18 0.12 -0.15 0.04 -0.16 0.03 -0.03 -0.15 0.06 -0.05 -0.07 -0.08 -0.00 0.09 0.12 0.17 -0.02 0.03 0.15 0.00 -0.01 -0.18 -0.11 -0.12 -0.00 -0.00 0.00 -0.09 -0.01 -0.02 -0.00 -0.00 0.00 0.04 0.01 -0.03 0.04 0.08 0.01 -0.04 -0.00 0.01 -0.01 -0.01 -0.00 0.02 -0.05 -0.04 -0.02 -0.01 0.02 -0.04 -0.03 0.02 0.06 0.04 -0.01 -0.00 -0.01 0.01 0.01 0.03 0.11 -0.06 -0.04 -0.09 0.03 0.02 -0.03 0.07 0.02 -0.04 -0.04 -0.02 0.01 0.00 0.00 -0.00 0.05 0.05 0.05 0.14 0.10 0.02 0.04 -0.05 -0.05 -0.02 -0.02 -0.04 0.04 -0.11 0.04 0.03 0.07 -0.01 0.03 -0.14 0.02 0.02 -0.10 -0.19 -0.09 0.04 0.19 -0.23 -0.02 0.50 -0.43 -0.22 -0.11 0.09 0.07 0.11 -0.10 -0.09 -0.03 -0.05 -0.02 0.06 0.09 0.04 -0.02 0.14 -0.08 0.05 -0.07 0.14 -0.09 0.10 0.04 -0.00 -0.00 -0.05 -0.04 -0.01 0.06 0.06 0.12 -0.01 0.03 0.12 0.02 0.00 -0.10 -0.07 -0.07 -0.00 -0.00 0.00 0.29 0.02 0.06 -0.01 -0.01 0.01 0.05 -0.02 -0.03 -0.08 0.06 0.05 0.06 0.03 -0.04 -0.00 -0.00 0.01 -0.16 0.06 0.01 -0.02 -0.02 -0.00 0.05 -0.03 -0.01 0.03 0.01 -0.01 0.01 -0.01 0.00 -0.03 -0.00 0.07 -0.06 -0.03 -0.02 0.02 0.01 -0.01 0.06 0.02 -0.04 -0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.18 -0.12 -0.12 -0.05 0.20 0.06 -0.15 0.05 0.01 -0.12 0.00 -0.01 -0.10 0.11 -0.03 -0.06 -0.22 0.09 -0.09 0.14 0.04 0.00 -0.03 -0.11 -0.02 0.02 0.05 -0.24 -0.03 0.39 -0.37 -0.18 -0.04 0.05 0.03 0.05 -0.01 -0.03 0.00 -0.02 -0.01 0.03 0.07 0.03 -0.03 0.05 -0.02 0.01 -0.03 0.05 -0.04 0.04 0.01 0.00 0.01 -0.11 -0.10 -0.02 0.09 0.09 -0.21 -0.03 -0.09 -0.18 -0.06 -0.01 0.09 0.08 0.09 -0.00 -0.00 0.00 0.05 -0.00 0.01 0.02 0.01 -0.02 -0.01 0.02 -0.01 0.08 0.12 -0.07 -0.07 -0.02 0.04 -0.00 -0.01 -0.02 -0.06 -0.05 0.02 0.02 0.01 0.02 -0.05 -0.04 0.09 -0.01 -0.00 0.01 0.03 -0.05 0.02 0.03 0.01 -0.03 0.03 0.01 -0.01 -0.01 -0.01 -0.00 -0.04 -0.01 0.02 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.03 0.03 -0.05 0.23 0.19 -0.04 0.06 -0.13 -0.20 -0.18 0.18 0.02 0.00 -0.39 0.08 0.01 0.09 -0.12 0.09 -0.08 -0.09 0.01 -0.00 0.06 0.01 -0.00 0.00 0.13 0.03 -0.19 0.18 0.09 0.00 -0.03 -0.00 -0.02 -0.01 0.00 -0.01 -0.02 -0.02 -0.01 -0.03 -0.01 0.03 -0.01 0.00 0.01 0.00 -0.01 0.01 -0.01 -0.02 0.00 0.04 -0.22 -0.18 -0.10 0.30 0.24 -0.19 -0.17 -0.06 0.23 0.05 0.15 -0.08 -0.11 0.06 0.00 0.00 -0.00 0.05 0.01 -0.02 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.11 0.03 0.07 -0.05 -0.01 0.03 -0.00 -0.01 -0.01 -0.06 0.03 -0.09 0.01 0.01 0.01 -0.08 -0.01 -0.03 -0.00 0.01 0.00 -0.00 0.00 0.01 0.02 0.01 -0.01 0.02 0.01 -0.01 -0.01 -0.00 -0.00 -0.02 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.04 -0.06 0.07 0.26 0.13 0.11 -0.23 0.09 0.10 -0.03 -0.23 -0.12 0.17 0.03 0.04 0.09 0.22 0.04 0.02 -0.31 0.09 0.01 -0.01 0.05 -0.01 0.01 0.01 0.08 0.02 -0.11 0.11 0.05 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.02 -0.00 0.03 0.01 -0.01 0.01 -0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.03 0.02 0.01 -0.02 -0.02 0.38 0.24 0.08 -0.32 -0.12 -0.30 -0.03 0.10 -0.19 -0.01 -0.01 0.01 -0.02 0.02 -0.02 0.02 0.00 -0.01 -0.03 0.07 -0.02 -0.03 -0.05 -0.03 0.02 -0.02 -0.00 0.00 0.01 0.00 0.03 -0.00 0.03 -0.00 0.00 -0.00 0.03 0.01 0.00 0.00 -0.01 0.00 0.01 -0.02 0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.01 0.01 -0.04 0.05 -0.08 -0.10 -0.04 -0.00 -0.01 -0.04 0.10 0.06 0.05 -0.06 0.02 -0.02 -0.03 -0.08 -0.01 -0.01 0.13 -0.04 -0.00 0.01 -0.01 0.01 -0.01 -0.02 -0.02 -0.01 0.03 -0.04 -0.02 0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.01 0.01 0.01 0.00 -0.00 -0.02 0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.04 0.01 0.15 -0.45 -0.34 -0.15 0.46 0.35 0.22 0.19 0.06 -0.24 -0.07 -0.19 0.04 0.10 -0.09 -0.00 -0.00 0.00 -0.02 -0.04 0.05 0.01 -0.00 -0.01 -0.04 0.05 -0.02 0.06 -0.07 0.10 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.05 -0.08 -0.00 0.00 0.00 -0.03 0.02 -0.08 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 -0.01 0.01 0.02 0.05 -0.07 0.02 -0.09 0.10 -0.15 0.14 0.21 0.00 -0.29 -0.10 0.14 0.26 -0.02 0.07 0.11 0.10 -0.04 -0.18 0.11 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.01 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.01 0.01 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.02 0.01 0.11 -0.26 -0.19 -0.09 0.25 0.18 -0.35 -0.24 -0.08 0.27 0.10 0.26 0.02 -0.09 0.16 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.02 0.02 -0.00 -0.04 0.00 -0.00 0.00 -0.04 -0.02 -0.01 0.00 0.00 -0.00 -0.01 0.00 0.02 -0.00 0.00 -0.00 0.02 -0.00 -0.05 -0.05 -0.02 -0.02 0.02 0.01 0.01 0.03 0.03 0.07 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.07 0.02 -0.01 0.05 0.19 0.03 -0.31 -0.33 -0.16 -0.03 0.03 0.02 0.03 0.02 -0.00 0.02 0.01 0.01 0.03 0.30 0.27 0.73 -0.02 0.01 0.01 0.01 -0.01 0.02 -0.02 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.07 0.09 0.05 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.02 0.05 0.02 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.04 -0.08 -0.04 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.09 -0.10 -0.06 -0.04 0.14 0.01 -0.12 -0.05 -0.07 -0.17 0.01 -0.05 0.00 -0.04 0.01 -0.00 -0.01 0.01 -0.00 -0.03 0.01 0.01 -0.01 0.02 -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 0.01 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 0.02 0.01 0.00 -0.01 -0.00 -0.40 0.15 -0.05 -0.45 0.02 0.06 0.56 0.29 0.29 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.02 0.03 -0.03 -0.19 -0.01 0.08 0.14 -0.02 -0.02 0.13 0.03 -0.10 0.05 0.08 0.22 -0.00 -0.01 0.00 -0.16 -0.09 -0.15 -0.06 0.01 0.04 -0.02 -0.05 -0.06 0.05 -0.06 0.03 -0.07 -0.03 0.02 -0.04 -0.01 0.04 0.06 0.03 0.05 0.09 0.03 -0.06 0.05 0.02 0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.11 0.33 -0.06 0.01 -0.03 -0.06 -0.20 0.03 -0.02 0.12 -0.18 0.07 0.04 0.19 -0.07 0.10 -0.12 -0.08 -0.13 0.17 -0.41 0.09 -0.06 -0.13 -0.05 -0.03 0.00 0.04 0.03 0.04 0.09 0.05 0.11 0.18 0.10 0.08 0.10 0.07 0.06 0.12 0.06 -0.01 -0.12 0.08 -0.08 0.05 -0.12 0.01 -0.08 -0.04 0.01 -0.09 0.14 0.11 -0.02 0.03 0.02 0.00 0.00 0.00 -0.01 -0.01 -0.02 -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 -0.00 0.00 -0.01 0.00 0.00 -0.02 -0.01 -0.02 -0.13 -0.02 0.13 -0.00 0.00 0.00 0.04 0.01 -0.07 0.01 0.00 -0.00 0.08 0.03 -0.04 -0.01 0.01 -0.01 0.04 0.02 0.02 -0.02 -0.01 0.02 -0.01 -0.00 0.03 0.04 0.02 0.01 -0.06 -0.06 0.02 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.02 -0.02 0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.01 0.00 -0.01 0.01 0.01 0.12 -0.21 0.06 -0.24 0.20 -0.42 0.35 0.09 -0.44 -0.21 -0.10 0.01 -0.03 -0.06 -0.07 0.06 0.06 0.03 0.05 0.02 -0.06 -0.03 -0.05 -0.19 0.18 -0.13 0.04 -0.11 0.21 -0.12 0.10 0.10 -0.02 0.02 -0.07 -0.05 -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 -0.01 -0.00 0.02 -0.01 -0.13 0.02 0.04 0.07 -0.04 -0.01 0.12 0.03 -0.07 -0.01 -0.03 -0.10 0.00 0.00 0.01 0.19 0.09 0.01 -0.02 0.01 0.02 0.01 0.02 0.03 0.05 -0.06 0.03 -0.00 -0.01 -0.02 -0.01 0.01 0.06 -0.06 -0.03 -0.01 -0.05 -0.02 0.05 -0.03 -0.01 -0.00 0.00 -0.02 -0.03 -0.00 0.00 0.00 -0.19 0.21 -0.05 0.02 -0.01 -0.02 -0.13 0.03 -0.00 0.04 -0.07 0.02 0.01 0.07 -0.03 0.05 -0.04 -0.04 0.06 -0.08 0.19 -0.04 0.03 0.01 -0.09 -0.02 0.10 -0.56 -0.26 0.04 -0.11 -0.11 -0.16 -0.02 0.02 -0.03 -0.01 -0.03 -0.12 -0.11 -0.07 -0.07 0.06 -0.04 0.04 -0.02 0.05 0.00 0.05 -0.00 0.00 -0.10 0.30 0.23 -0.03 0.13 0.15 0.01 -0.01 0.00 0.00 -0.00 -0.02 -0.03 -0.01 -0.02 0.00 0.00 -0.00 -0.01 -0.02 0.04 0.00 0.00 -0.00 0.00 0.00 0.01 -0.03 -0.01 -0.07 -0.01 -0.00 -0.02 0.00 0.00 0.01 -0.00 0.02 -0.04 0.01 0.01 -0.00 0.01 0.00 0.05 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.00 0.01 0.01 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 0.19 0.28 -0.02 -0.50 0.10 0.05 0.70 -0.18 0.03 -0.07 -0.14 0.02 -0.03 -0.02 -0.11 0.05 0.10 -0.09 -0.02 0.02 -0.07 0.03 -0.03 0.06 0.03 0.00 -0.04 -0.08 -0.04 0.00 0.01 -0.03 -0.01 -0.03 0.01 -0.01 0.03 0.01 -0.03 -0.01 -0.01 -0.02 -0.02 0.02 -0.01 0.01 -0.02 0.01 -0.02 -0.01 0.00 -0.02 0.03 0.02 0.01 -0.01 -0.00 -0.03 -0.02 -0.00 0.00 0.01 0.04 0.02 -0.00 0.03 0.00 0.00 0.00 -0.00 -0.01 0.01 0.01 0.01 -0.01 -0.04 -0.01 0.00 0.01 -0.01 -0.02 0.10 0.07 0.13 -0.03 -0.02 -0.08 0.00 0.00 -0.00 -0.05 -0.03 -0.07 -0.00 0.01 0.02 0.02 0.02 0.03 0.00 -0.01 -0.00 0.04 -0.00 -0.10 -0.09 -0.04 -0.03 0.02 0.01 0.01 0.03 0.02 0.05 -0.05 -0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 0.14 -0.02 -0.11 0.02 0.00 0.12 -0.03 0.01 -0.02 -0.07 0.01 -0.01 0.01 -0.04 0.03 0.01 -0.04 0.13 -0.14 0.36 -0.18 0.15 -0.31 -0.26 -0.05 0.35 0.45 0.21 -0.00 0.04 0.04 0.06 0.06 0.03 0.02 0.04 0.03 0.02 0.05 0.04 0.10 0.14 -0.11 0.07 -0.06 0.14 -0.02 0.09 0.07 -0.02 0.00 -0.02 -0.02 -0.00 -0.01 -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.02 -0.01 0.01 0.03 0.04 -0.03 -0.02 0.01 0.01 -0.02 -0.02 0.02 -0.01 0.00 0.02 -0.00 0.00 -0.00 -0.04 -0.02 0.00 0.02 -0.01 -0.01 0.01 -0.00 -0.00 0.03 -0.01 0.03 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.04 -0.08 -0.07 0.00 -0.00 -0.00 0.06 -0.14 0.02 -0.01 0.00 0.01 0.06 -0.01 0.00 -0.02 0.05 -0.02 -0.00 -0.04 0.02 -0.03 0.02 0.02 0.01 -0.01 0.01 -0.02 0.02 -0.07 0.03 0.01 -0.04 0.13 0.06 -0.01 0.01 0.03 0.04 0.01 0.01 -0.00 -0.01 -0.00 0.03 0.02 0.01 0.01 0.02 -0.01 0.02 -0.01 0.00 -0.01 0.01 -0.02 0.00 -0.12 0.56 0.43 -0.10 0.44 0.44 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.01 -0.01 -0.01 0.02 0.01 0.00 0.02 0.12 -0.12 -0.07 0.03 -0.00 -0.00 -0.00 0.07 0.01 -0.15 0.00 -0.01 -0.01 -0.02 0.01 -0.06 -0.00 0.00 0.00 0.06 0.02 -0.08 -0.10 -0.04 0.00 -0.01 -0.00 0.04 0.05 0.04 0.09 0.04 0.05 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.08 -0.13 0.02 0.04 -0.01 0.00 -0.02 0.01 -0.00 0.01 0.03 -0.01 0.01 -0.01 0.03 -0.02 -0.01 0.02 -0.09 0.03 -0.31 0.24 -0.23 0.70 0.01 0.00 -0.01 -0.01 -0.01 0.01 -0.02 -0.07 -0.07 0.07 0.10 0.02 0.09 0.03 -0.11 -0.06 -0.07 -0.18 -0.09 0.10 -0.10 0.04 -0.15 -0.01 -0.03 -0.10 0.05 0.00 0.02 0.01 -0.00 0.02 0.03 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.01 0.04 -0.02 0.01 0.01 0.00 0.02 0.00 -0.02 0.01 -0.01 0.04 0.01 0.00 0.01 -0.04 -0.01 0.03 0.01 0.01 -0.00 -0.03 0.04 -0.15 0.03 -0.06 0.01 -0.02 0.00 0.03 0.02 0.01 -0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.04 -0.03 0.02 0.05 -0.01 0.02 0.00 -0.00 0.00 0.00 -0.16 -0.04 -0.03 -0.11 0.01 -0.02 0.01 -0.00 0.01 -0.03 -0.03 -0.01 -0.03 -0.05 0.00 0.01 -0.04 0.03 0.24 -0.32 0.65 0.21 -0.15 0.37 0.07 -0.00 -0.08 0.06 0.03 -0.00 0.01 0.05 0.05 0.02 -0.01 0.00 -0.02 0.00 0.06 0.03 0.01 0.00 0.11 -0.02 -0.11 -0.07 -0.04 -0.12 0.11 -0.07 0.08 -0.06 0.01 -0.01 0.02 -0.08 -0.07 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 -0.01 -0.01 0.04 -0.01 -0.02 0.05 -0.15 0.04 0.00 -0.09 0.01 -0.01 0.02 -0.01 -0.00 -0.01 0.01 0.03 0.02 0.01 -0.01 -0.00 0.01 -0.02 0.02 0.04 -0.01 0.01 -0.05 -0.12 0.22 -0.04 0.00 0.00 0.01 0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.02 0.03 -0.08 -0.01 -0.00 0.01 0.01 -0.21 0.65 -0.03 0.02 0.02 0.01 -0.21 -0.00 -0.02 0.01 -0.05 0.04 0.01 0.11 -0.11 0.06 0.06 -0.10 0.06 -0.08 0.17 0.08 -0.07 0.20 0.04 0.01 -0.04 0.00 0.00 -0.01 0.02 -0.01 0.00 0.00 -0.04 0.02 -0.00 0.02 0.03 -0.01 -0.00 -0.02 0.01 0.01 -0.04 -0.02 -0.02 -0.05 0.02 -0.04 0.03 0.23 -0.01 0.02 -0.06 0.27 0.28 0.01 -0.01 0.00 0.02 -0.00 -0.02 -0.03 -0.01 -0.02 0.00 -0.00 0.00 -0.01 0.02 0.01 -0.00 0.00 -0.00 -0.03 0.00 0.04 -0.08 -0.06 -0.01 0.02 0.01 -0.01 0.02 0.01 0.01 -0.02 -0.00 -0.05 0.00 -0.00 -0.01 0.01 0.00 0.01 -0.01 0.00 -0.03 0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.79 0.10 0.18 0.50 -0.03 0.09 -0.04 -0.04 -0.05 -0.06 0.05 -0.00 0.01 0.04 -0.08 -0.01 0.08 -0.02 0.05 -0.05 0.15 0.02 -0.02 0.03 -0.03 -0.01 0.03 -0.03 -0.01 0.01 0.02 -0.01 0.01 0.01 0.00 0.00 0.02 0.02 -0.01 0.00 0.00 0.01 0.02 -0.01 -0.02 -0.01 -0.01 -0.02 0.02 -0.01 0.01 -0.01 -0.01 -0.00 -0.01 0.01 -0.01 -0.02 0.04 -0.00 -0.01 0.01 0.03 0.05 0.03 0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.03 -0.01 0.02 0.06 0.12 -0.10 -0.02 -0.14 0.03 -0.03 -0.03 0.03 -0.05 -0.02 -0.01 0.03 0.03 0.00 -0.01 0.00 0.03 -0.00 -0.02 0.04 0.01 -0.00 0.02 0.04 -0.10 0.03 0.02 0.01 0.01 -0.01 -0.01 -0.02 0.01 -0.00 -0.01 0.01 0.01 0.00 0.00 0.00 -0.01 -0.01 0.03 -0.00 -0.00 0.00 0.00 -0.19 0.73 0.01 0.14 0.02 0.03 -0.23 -0.03 -0.03 -0.02 0.15 0.04 0.08 0.17 -0.14 0.01 0.23 -0.16 -0.05 0.05 -0.17 -0.03 0.01 0.02 0.09 0.02 -0.10 0.12 0.05 -0.02 -0.04 0.04 0.00 0.01 -0.03 0.01 -0.05 -0.02 0.05 0.01 -0.00 -0.02 -0.01 0.00 0.02 0.02 -0.02 0.03 -0.01 -0.01 -0.01 -0.11 0.04 0.01 0.04 -0.12 -0.10 -0.01 -0.01 0.00 0.01 -0.00 -0.02 -0.02 -0.01 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 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 -0.01 -0.01 -0.03 0.01 0.00 -0.01 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.07 0.08 -0.07 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.05 -0.05 -0.02 0.05 -0.01 0.01 0.09 0.02 0.01 0.02 0.12 0.02 0.07 0.10 -0.03 -0.03 0.09 -0.06 -0.00 0.02 -0.01 -0.01 -0.00 -0.01 0.02 0.01 -0.04 -0.02 -0.01 -0.00 0.05 -0.01 0.05 0.07 -0.00 0.03 0.04 0.06 0.04 -0.01 -0.01 -0.02 0.38 -0.13 0.34 0.10 -0.36 0.42 0.36 -0.40 0.09 0.03 -0.01 -0.01 0.01 -0.03 -0.01 0.01 0.01 0.00 0.01 0.00 0.01 0.02 0.01 0.01 -0.00 0.00 -0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.04 0.03 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.05 -0.02 -0.01 0.01 0.01 0.01 -0.02 -0.09 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 -0.06 -0.02 -0.05 -0.01 -0.00 0.00 0.02 -0.02 0.02 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.16 -0.13 -0.05 0.18 -0.03 0.04 0.26 0.05 0.04 0.05 0.38 0.05 0.21 0.31 -0.12 -0.07 0.28 -0.19 0.01 -0.01 0.04 -0.01 -0.00 0.03 0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.20 -0.03 0.21 0.28 -0.03 0.12 0.15 0.24 0.18 -0.00 -0.00 0.00 -0.11 0.04 -0.11 -0.04 0.11 -0.14 -0.11 0.13 -0.03 -0.01 -0.00 0.00 -0.01 0.02 0.00 0.04 0.03 0.00 0.02 0.01 0.04 0.05 0.03 0.04 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.03 -0.02 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.05 0.02 0.01 0.01 0.01 0.01 0.02 0.06 -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 -0.09 -0.03 -0.07 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.01 0.12 0.05 0.04 -0.17 0.02 -0.07 -0.22 -0.06 -0.03 -0.03 -0.23 -0.03 -0.14 -0.21 0.06 0.06 -0.19 0.11 -0.02 0.02 -0.06 -0.01 0.01 -0.01 0.01 0.00 -0.02 -0.02 -0.01 -0.01 0.29 -0.02 0.33 0.45 -0.01 0.18 0.22 0.36 0.28 -0.01 -0.01 -0.02 0.00 -0.00 0.03 0.01 -0.01 0.03 0.01 -0.02 0.00 -0.02 0.01 0.01 -0.00 -0.00 -0.01 -0.03 -0.03 0.00 -0.02 -0.01 -0.04 -0.04 -0.02 -0.03 -0.00 -0.00 -0.00 -0.01 0.02 0.01 -0.00 -0.00 0.00 0.02 0.01 -0.02 0.04 -0.04 0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.10 -0.01 -0.02 -0.00 0.00 0.01 -0.01 0.07 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.02 -0.02 -0.26 0.12 -0.05 0.52 -0.05 0.11 0.42 0.02 0.04 0.14 -0.28 0.00 -0.16 -0.24 0.17 0.12 -0.25 0.05 -0.01 -0.00 -0.04 0.01 -0.00 0.01 0.03 0.01 -0.03 0.03 0.01 -0.01 0.04 -0.01 0.03 0.01 -0.01 0.00 0.03 0.03 0.01 0.00 0.00 -0.01 -0.01 0.00 0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 0.01 0.00 0.01 -0.01 0.01 0.16 0.12 0.00 0.15 0.01 0.14 0.16 0.12 0.11 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 -0.01 -0.03 -0.01 0.02 -0.00 0.01 -0.01 0.08 0.03 -0.03 -0.06 -0.04 -0.04 -0.00 -0.00 -0.00 -0.03 -0.00 0.07 0.00 -0.00 -0.00 0.01 0.01 0.02 0.00 -0.02 -0.00 -0.01 0.00 0.03 -0.01 -0.01 -0.03 0.02 0.01 -0.03 0.03 0.02 0.02 0.01 -0.00 -0.01 -0.06 0.03 -0.02 0.01 -0.00 0.00 0.08 -0.07 0.01 -0.01 0.00 0.01 0.03 0.00 -0.00 -0.02 -0.00 -0.01 0.00 0.00 -0.01 -0.01 -0.01 0.02 -0.02 -0.03 -0.11 0.03 -0.01 0.06 0.14 0.03 -0.19 0.11 0.04 -0.03 -0.19 0.12 -0.08 0.10 -0.15 0.10 -0.21 -0.07 0.28 -0.01 -0.03 -0.11 -0.09 0.02 0.08 0.01 0.09 0.01 -0.01 -0.07 0.01 0.53 0.12 0.00 0.22 -0.31 0.40 -0.03 0.01 0.00 -0.03 0.01 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 0.02 0.02 -0.02 -0.00 -0.01 0.00 -0.07 -0.03 0.03 0.05 0.04 0.04 0.00 0.00 0.00 0.02 -0.00 -0.06 -0.00 -0.00 0.00 -0.01 -0.01 -0.02 -0.00 -0.02 0.00 0.01 0.00 -0.02 0.01 0.01 0.03 -0.03 -0.01 0.03 -0.03 -0.02 -0.02 0.00 -0.00 0.00 -0.06 0.03 -0.02 -0.00 0.00 0.00 -0.05 0.04 -0.00 0.01 -0.00 -0.01 -0.04 -0.00 0.00 0.02 0.01 0.01 0.01 0.01 0.01 -0.00 0.02 -0.02 0.03 0.01 0.10 -0.02 0.01 -0.07 -0.11 -0.02 0.17 -0.09 -0.03 0.03 0.21 -0.10 0.14 -0.10 0.21 -0.13 0.23 0.07 -0.32 0.02 0.03 0.11 -0.00 -0.01 0.03 -0.01 0.02 -0.04 -0.04 -0.03 0.00 0.51 0.13 0.01 0.23 -0.32 0.39 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.05 0.01 0.02 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 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 -0.02 0.05 -0.02 0.01 -0.12 -0.04 -0.23 -0.13 -0.21 -0.04 -0.11 0.05 -0.02 0.04 0.06 -0.08 -0.04 0.02 0.05 -0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.02 -0.01 -0.03 -0.00 -0.03 0.02 -0.02 -0.01 0.02 -0.00 -0.00 -0.01 -0.01 0.00 0.01 0.00 0.01 0.00 0.00 -0.00 0.00 0.02 0.01 0.00 0.01 -0.02 0.02 0.49 -0.01 -0.01 0.47 -0.07 0.08 0.36 0.33 0.32 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 0.01 0.04 -0.04 0.01 0.01 0.00 0.02 0.01 0.03 -0.01 0.03 -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 0.01 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 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.44 -0.25 -0.03 -0.46 0.13 0.09 -0.06 -0.43 0.57 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 0.02 0.02 0.03 0.01 -0.00 -0.05 -0.00 -0.01 -0.01 -0.03 -0.03 0.01 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.01 0.01 -0.00 -0.04 -0.01 0.03 0.03 0.01 -0.03 0.00 -0.04 0.00 0.02 0.02 0.04 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 0.01 0.06 0.01 0.05 0.00 -0.06 -0.04 -0.02 0.05 0.06 0.02 -0.07 0.04 0.07 -0.00 -0.13 -0.02 0.12 -0.03 -0.03 0.07 0.01 -0.15 -0.11 -0.06 -0.04 -0.05 0.32 0.41 0.10 0.51 -0.24 -0.02 -0.14 -0.24 -0.07 -0.07 -0.18 -0.22 0.05 0.11 0.03 0.24 0.10 0.10 -0.09 0.02 -0.05 -0.02 -0.00 -0.02 0.03 -0.05 0.01 -0.03 -0.00 0.03 -0.02 -0.03 0.03 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 0.02 -0.01 0.00 -0.01 -0.01 0.02 0.02 0.01 -0.00 -0.01 0.02 0.01 -0.02 -0.00 -0.02 0.02 -0.00 -0.00 -0.02 0.02 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.03 0.01 0.01 0.01 0.02 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.05 0.02 -0.01 0.07 -0.04 -0.16 0.02 -0.16 -0.00 -0.22 -0.06 -0.06 0.07 0.11 -0.06 -0.13 -0.01 0.19 -0.00 -0.30 -0.05 0.28 -0.06 -0.12 -0.01 -0.01 -0.00 -0.04 -0.02 -0.01 0.14 -0.23 -0.19 -0.13 -0.25 0.09 0.11 0.12 0.03 -0.03 -0.02 -0.05 -0.30 0.07 0.16 0.04 0.33 0.16 0.16 -0.14 0.03 -0.03 0.00 0.01 -0.01 0.01 -0.02 -0.03 0.16 0.01 -0.08 0.06 0.15 -0.08 -0.09 -0.05 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.02 -0.01 -0.00 0.02 0.01 -0.04 -0.05 -0.02 0.01 -0.01 0.02 0.01 0.02 0.01 0.05 0.03 -0.00 -0.02 0.02 -0.00 0.01 -0.01 0.00 0.00 0.02 0.01 0.01 -0.03 -0.01 0.01 -0.01 -0.02 -0.01 -0.01 -0.01 -0.05 0.00 0.01 0.01 0.00 -0.00 0.00 0.01 -0.02 -0.01 -0.04 0.02 -0.02 0.07 -0.05 -0.19 0.04 -0.20 -0.01 -0.35 -0.18 -0.11 0.16 0.21 -0.01 -0.27 0.04 0.37 -0.02 0.10 -0.06 -0.09 0.02 0.06 0.03 0.02 0.01 0.15 0.08 0.02 0.02 0.08 0.14 -0.02 0.17 -0.11 0.02 -0.03 -0.13 0.07 0.05 0.13 0.18 -0.05 -0.05 -0.03 -0.21 -0.13 -0.14 0.04 -0.01 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.25 0.01 -0.07 0.08 0.25 -0.10 -0.11 -0.07 -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 -0.01 0.00 0.07 0.07 0.02 -0.05 0.00 0.02 0.01 -0.06 -0.04 -0.06 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.06 -0.03 -0.01 0.07 0.03 -0.03 0.02 0.01 0.01 0.02 0.03 0.10 0.01 0.02 0.01 -0.00 0.00 -0.00 0.01 -0.02 -0.02 -0.02 0.01 -0.00 0.01 -0.03 -0.15 -0.02 -0.16 -0.01 0.04 0.01 0.01 -0.01 -0.02 0.01 0.02 0.01 -0.03 0.03 0.19 0.16 -0.20 0.05 0.01 0.01 -0.02 -0.13 -0.30 -0.15 -0.06 -0.05 0.01 -0.06 0.07 -0.06 0.07 -0.04 0.00 0.11 -0.15 -0.13 -0.31 0.19 -0.06 0.04 -0.06 -0.20 -0.25 -0.27 -0.02 -0.00 0.02 0.01 0.00 0.02 -0.02 0.02 0.03 0.34 0.01 -0.05 0.10 0.34 -0.11 -0.12 -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 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.03 -0.03 0.01 -0.00 0.00 -0.00 0.00 -0.02 -0.01 0.01 -0.01 0.00 -0.03 -0.01 -0.09 -0.03 -0.09 -0.01 0.11 0.02 0.03 -0.02 -0.04 0.05 0.05 0.02 -0.09 -0.01 0.14 0.03 -0.08 -0.01 0.07 -0.01 0.00 0.01 -0.01 -0.00 0.00 -0.06 0.06 0.03 0.05 0.05 -0.00 -0.04 -0.03 0.02 0.00 0.00 0.01 -0.07 0.05 -0.43 0.10 0.06 0.41 0.48 0.37 -0.07 0.04 0.01 0.00 0.02 -0.01 0.05 0.04 0.26 0.01 -0.01 0.07 0.26 -0.07 -0.07 -0.05 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 0.01 0.00 -0.00 -0.00 -0.03 -0.02 -0.00 0.03 0.02 0.01 0.01 0.04 0.01 0.01 -0.02 -0.00 0.02 0.00 0.02 -0.00 0.00 0.00 -0.00 0.03 0.01 -0.00 -0.03 -0.01 0.02 -0.00 -0.02 -0.01 -0.02 -0.01 -0.04 0.01 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.02 -0.02 0.04 -0.04 0.02 -0.08 -0.00 -0.07 -0.08 -0.06 -0.01 0.26 0.18 0.08 -0.12 -0.16 -0.04 0.22 -0.04 -0.30 0.01 -0.18 -0.06 0.14 -0.02 -0.06 -0.03 0.00 0.09 0.09 0.05 0.03 -0.09 0.11 0.07 0.06 0.11 -0.04 -0.06 -0.07 -0.02 0.06 0.05 0.14 -0.09 0.01 0.27 -0.03 0.11 -0.12 -0.15 -0.24 0.05 -0.04 -0.01 -0.00 -0.02 0.02 -0.04 0.08 0.38 0.01 0.01 0.10 0.38 -0.08 -0.09 -0.06 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 -0.02 0.01 0.00 -0.00 -0.01 -0.01 -0.01 0.02 0.01 0.01 -0.00 0.00 0.01 -0.02 -0.01 -0.04 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 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 -0.00 -0.04 -0.01 -0.09 -0.03 -0.08 -0.00 0.42 -0.31 0.07 0.18 0.10 0.65 -0.21 0.40 -0.06 0.01 -0.02 0.02 0.00 -0.00 0.02 0.02 0.00 -0.02 0.02 0.01 -0.00 0.05 -0.05 -0.02 -0.05 -0.04 0.00 0.04 0.03 -0.02 0.01 0.00 0.00 -0.03 0.01 0.06 -0.01 0.04 -0.03 -0.03 -0.05 0.01 -0.02 -0.00 0.00 -0.01 0.01 -0.01 0.01 -0.01 -0.00 0.02 -0.01 -0.01 0.01 0.01 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.01 0.01 -0.01 0.01 0.00 0.05 0.03 -0.01 -0.03 -0.03 -0.04 0.01 0.01 0.01 -0.03 -0.00 0.06 -0.01 0.00 0.01 0.03 -0.02 -0.02 0.00 -0.00 -0.00 -0.02 -0.00 0.05 -0.01 -0.01 -0.02 -0.01 0.01 0.02 0.03 0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.05 0.01 -0.01 -0.02 -0.10 -0.05 -0.08 -0.01 0.07 0.12 0.03 -0.08 -0.10 -0.09 0.13 -0.08 -0.12 0.03 0.34 0.10 -0.33 0.04 0.22 0.12 0.02 -0.18 0.12 0.06 -0.02 0.33 -0.24 0.01 -0.31 -0.04 -0.11 0.26 0.12 -0.29 0.01 -0.01 -0.06 -0.14 0.03 0.11 0.01 0.15 0.03 0.02 -0.11 0.02 -0.04 -0.01 0.00 -0.02 0.03 -0.03 -0.01 0.01 0.00 -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 0.00 0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.03 -0.01 0.00 0.01 0.01 0.05 -0.01 -0.00 -0.01 0.03 0.00 -0.04 0.01 0.00 -0.01 0.03 -0.04 -0.06 0.00 0.00 -0.00 0.02 0.01 -0.03 0.00 0.01 0.02 0.01 -0.00 -0.01 -0.02 -0.01 -0.02 0.01 -0.01 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.03 0.03 -0.01 0.01 0.01 0.06 0.05 0.04 0.00 -0.11 -0.08 -0.04 0.05 0.06 0.02 -0.09 0.01 0.13 0.06 0.40 0.22 -0.39 0.05 0.19 -0.07 -0.01 0.11 -0.04 -0.02 0.03 -0.20 0.13 -0.04 0.18 -0.01 0.08 -0.16 -0.07 0.19 0.02 0.02 0.09 -0.28 0.06 0.27 0.01 0.32 0.05 0.05 -0.25 0.05 -0.02 -0.01 -0.00 -0.01 0.01 -0.03 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 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.03 -0.05 -0.04 -0.01 0.00 0.01 0.01 0.00 -0.01 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.01 -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 -0.02 -0.02 -0.02 0.04 0.03 0.00 -0.21 0.14 0.54 -0.10 0.58 0.02 -0.09 -0.08 -0.03 0.06 0.07 0.03 -0.10 0.04 0.11 -0.00 0.01 -0.00 -0.01 0.00 0.01 0.02 0.00 -0.03 0.01 0.01 -0.00 0.11 -0.11 -0.04 -0.07 -0.08 0.01 0.08 0.06 -0.03 -0.00 -0.00 -0.02 0.01 -0.00 -0.01 0.00 -0.01 0.00 0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.01 0.15 0.26 0.00 0.13 0.05 0.28 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 0.00 0.02 0.00 -0.00 0.00 -0.12 -0.10 -0.28 0.14 0.10 0.17 0.00 0.00 0.00 0.08 0.07 0.23 -0.00 -0.00 -0.00 -0.01 -0.02 -0.03 0.01 0.01 -0.01 -0.01 -0.05 -0.22 -0.20 -0.12 -0.15 -0.01 -0.01 -0.03 0.15 0.13 0.33 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.01 0.00 0.01 0.01 0.01 -0.01 0.01 0.00 0.04 0.05 0.16 -0.04 0.01 -0.09 -0.22 -0.09 0.08 0.29 0.11 -0.13 0.06 0.03 0.11 -0.10 0.05 -0.10 0.01 -0.02 -0.09 -0.15 -0.15 -0.43 0.01 -0.01 0.03 -0.00 0.00 0.01 0.02 -0.03 0.00 0.01 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.00 0.02 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.09 0.03 -0.08 -0.21 -0.08 0.13 0.00 0.00 0.00 -0.22 -0.08 0.14 0.00 0.00 0.00 0.02 0.00 -0.02 0.04 -0.00 -0.02 0.21 0.05 -0.26 0.28 0.12 -0.05 0.02 0.01 -0.00 -0.13 -0.04 0.10 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.01 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.02 -0.01 -0.15 -0.01 -0.01 0.08 -0.24 -0.03 0.43 -0.41 -0.20 -0.08 0.16 -0.02 0.10 -0.15 -0.01 -0.07 0.08 0.04 -0.08 -0.17 -0.07 0.06 -0.01 0.01 0.02 0.00 0.01 0.02 0.02 -0.04 0.01 0.01 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.34 -0.12 0.29 -0.06 -0.04 0.04 0.03 -0.00 -0.01 -0.02 -0.02 0.04 0.03 0.01 -0.02 0.00 0.01 0.01 0.02 0.00 -0.03 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.55 0.22 -0.47 -0.02 -0.00 0.03 -0.02 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.02 -0.00 0.00 0.00 -0.05 -0.01 0.03 0.00 0.00 0.00 -0.06 0.13 -0.05 -0.07 -0.00 -0.11 0.01 -0.09 -0.01 -0.01 -0.04 0.01 0.03 0.07 -0.02 -0.01 -0.01 0.01 -0.01 -0.00 -0.02 0.01 -0.01 -0.00 0.03 0.01 -0.05 0.02 0.01 0.01 -0.01 0.02 0.02 0.03 0.03 -0.00 -0.00 -0.01 0.00 0.02 0.01 0.00 0.02 0.00 -0.03 0.00 -0.02 0.01 0.01 0.01 -0.00 0.25 -0.13 -0.12 -0.10 0.15 0.08 -0.00 -0.01 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 0.01 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 -0.02 -0.03 -0.04 -0.00 -0.00 0.01 -0.02 -0.10 0.03 0.02 0.02 -0.21 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 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 -0.01 -0.05 0.74 0.09 0.54 -0.18 0.18 -0.14 -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 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.06 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.02 0.00 -0.08 0.03 0.33 -0.11 -0.11 -0.09 0.88 0.00 -0.00 -0.02 -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 -0.00 -0.00 -0.00 -0.02 -0.02 0.02 0.01 -0.01 -0.01 -0.05 0.06 -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.20 0.02 0.11 -0.04 0.04 -0.03 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 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 0.07 0.00 -0.00 -0.00 0.00 0.06 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 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 0.02 -0.60 0.11 0.75 -0.22 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 0.00 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 0.04 -0.02 0.04 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.12 0.03 0.01 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 -0.01 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.13 -0.19 0.14 0.16 -0.17 -0.30 -0.55 0.63 -0.25 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 0.00 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 -0.05 -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 0.02 -0.01 0.02 -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 -0.19 -0.03 0.05 0.22 0.69 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 0.08 0.22 0.03 -0.39 -0.02 0.12 0.03 -0.11 -0.42 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 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 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 0.02 -0.02 0.00 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 -0.18 -0.02 0.05 0.17 0.55 0.11 -0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.15 -0.42 -0.05 0.47 0.03 -0.14 -0.03 0.11 0.40 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 0.01 0.00 -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.07 0.04 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 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 0.40 0.09 0.78 -0.20 0.03 0.02 -0.28 0.06 0.01 -0.23 -0.08 0.06 0.02 0.08 0.05 0.06 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 -0.01 0.01 0.02 -0.02 -0.04 -0.05 0.06 -0.02 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 0.04 0.00 -0.02 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.01 0.00 -0.00 0.00 0.01 0.04 -0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 0.00 -0.08 0.04 0.29 -0.07 0.01 0.01 -0.10 -0.16 -0.02 0.68 0.36 -0.22 -0.07 -0.34 -0.18 -0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.02 0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 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 0.01 0.00 -0.07 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.03 -0.02 0.00 0.00 -0.00 0.00 0.01 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 -0.18 -0.01 0.86 -0.04 -0.29 0.07 -0.02 -0.01 0.20 -0.01 -0.01 0.05 0.15 -0.09 -0.02 -0.16 -0.08 -0.11 -0.02 -0.00 0.01 -0.01 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.03 0.02 -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 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -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 0.01 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 0.05 0.01 -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.03 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.02 0.01 -0.01 -0.00 0.01 0.01 0.01 0.61 0.05 -0.18 0.04 0.16 0.04 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.08 -0.26 -0.04 -0.54 -0.02 0.16 -0.01 0.11 0.39 -0.00 0.01 -0.01 -0.02 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.04 -0.07 -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 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.02 -0.00 0.00 0.01 -0.01 0.00 0.00 0.01 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.03 0.16 0.18 -0.15 -0.32 0.36 0.70 -0.27 0.31 -0.14 -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 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.03 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.06 -0.06 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.03 0.00 -0.00 0.00 -0.03 -0.01 -0.02 -0.38 -0.03 0.11 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 0.18 0.52 0.05 -0.22 -0.02 0.05 -0.04 0.16 0.66 0.00 -0.03 0.04 0.05 0.03 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.06 0.06 0.04 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.01 0.01 0.01 0.02 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.02 0.00 0.02 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.02 -0.15 -0.03 -0.16 0.07 0.71 -0.56 -0.35 0.00 -0.00 -0.00 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 -0.01 -0.02 -0.05 -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 -0.05 -0.04 0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.06 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.05 -0.01 0.19 -0.07 0.04 0.01 0.15 0.08 0.10 0.53 0.04 -0.15 0.06 0.20 0.04 -0.02 -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 0.00 -0.00 0.17 0.52 0.06 0.41 0.01 -0.13 -0.01 -0.01 0.01 0.01 -0.10 0.14 0.15 0.08 -0.04 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.03 0.03 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 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 -0.03 -0.08 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 0.01 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.01 0.15 -0.00 -0.01 0.00 -0.00 -0.00 0.03 -0.15 -0.03 0.60 -0.30 0.19 0.04 0.45 0.24 0.30 -0.20 -0.02 0.06 -0.02 -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 -0.01 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.04 -0.12 -0.01 -0.12 -0.00 0.04 0.00 0.01 0.02 -0.01 0.06 -0.07 -0.07 -0.04 0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.02 0.00 -0.05 0.02 -0.04 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 0.03 -0.03 0.02 0.00 0.02 0.01 0.01 -0.11 -0.01 0.03 -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.06 -0.20 -0.02 -0.11 -0.00 0.03 0.01 -0.01 -0.04 0.04 -0.44 0.57 0.54 0.28 -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 -0.09 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 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.10 0.66 -0.43 -0.12 0.42 0.24 0.31 -0.04 -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 -0.01 -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 -0.01 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 -0.04 -0.05 0.06 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.05 0.48 0.63 -0.47 0.13 -0.16 -0.28 -0.08 0.08 -0.02 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.05 -0.03 -0.03 -0.00 0.00 0.03 -0.00 -0.00 0.00 0.04 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 0.01 0.00 -0.00 0.00 0.02 0.00 0.56 0.35 0.41 0.04 -0.04 -0.36 0.01 0.02 -0.01 0.01 -0.01 -0.02 -0.00 0.00 -0.00 -0.43 -0.16 0.23 0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -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 -0.02 0.01 -0.01 -0.07 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.38 0.24 0.28 -0.09 0.10 0.80 -0.01 -0.02 0.01 -0.01 0.02 0.03 0.00 0.00 -0.00 0.19 0.07 -0.11 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 -0.02 -0.01 -0.02 -0.00 0.01 0.04 -0.00 0.00 0.00 -0.06 -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 0.24 0.15 0.18 0.04 -0.06 -0.44 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.69 0.26 -0.38 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.05 -0.06 0.06 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.03 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.05 0.40 -0.52 0.65 0.33 -0.17 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 17 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 17 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.96885 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 283.13391 4473.85458 6806.08429 7477.54111 0.99943 0.00199 0.03357 -0.00215 0.99999 0.00457 -0.03356 -0.00464 0.99943 asymmetric 1 0.01936 0.01273 0.01158 0.40340 0.26517 0.24135 913673.4 44.70 54.09 85.03 86.61 102.53 117.52 124.46 141.76 178.73 189.33 245.01 260.61 275.17 295.00 313.59 325.91 341.83 390.64 405.80 423.55 467.59 508.90 543.56 555.17 599.98 642.33 699.65 725.49 735.41 795.01 812.19 850.40 872.72 943.17 1000.24 1107.60 1124.02 1149.93 1154.19 1162.18 1279.51 1299.13 1318.50 1341.95 1366.49 1402.56 1411.16 1429.16 1433.15 1448.49 1482.46 1531.19 1541.40 1569.15 1579.62 1624.54 1645.01 1666.86 1677.92 1695.49 1711.64 1728.78 1758.46 1800.65 1822.66 1843.68 1854.24 1859.43 1868.98 1914.56 1961.67 1962.94 1975.26 1998.77 2037.08 2041.93 2044.79 2068.57 2113.10 2121.78 2124.70 2140.48 2148.33 2151.10 2153.94 2157.69 2160.01 2163.09 2170.17 2172.28 2176.07 2194.02 2339.40 2343.04 2472.77 4264.87 4291.10 4333.95 4349.67 4360.12 4361.37 4374.10 4377.39 4395.97 4440.27 4443.00 4458.31 4471.70 4473.18 4476.40 4482.51 4498.91 4521.54 4538.18 4551.29 4578.38 4585.69 0.348000 0.368765 0.369709 0.297763 -1250.192057 -1250.171292 -1250.170348 -1250.242294 231.403 76.430 151.423 0.000 0.000 0.000 0.889 2.981 42.820 0.889 2.981 33.787 229.626 70.468 74.816 1 0.594 1.983 5.760 2 0.594 1.982 5.382 3 0.596 1.974 4.487 4 0.597 1.973 4.451 5 0.598 1.968 4.118 6 0.600 1.962 3.850 7 0.601 1.959 3.738 8 0.604 1.950 3.483 9 0.610 1.929 3.034 10 0.612 1.922 2.923 11 0.625 1.879 2.432 12 0.630 1.865 2.317 13 0.634 1.852 2.216 14 0.640 1.833 2.087 15 0.646 1.814 1.976 16 0.650 1.801 1.906 17 0.656 1.783 1.821 18 0.675 1.726 1.587 19 0.681 1.707 1.521 20 0.689 1.684 1.449 21 0.709 1.625 1.285 22 0.730 1.568 1.150 23 0.748 1.517 1.048 24 0.755 1.500 1.016 25 0.780 1.433 0.902 26 0.806 1.369 0.807 27 0.842 1.280 0.693 28 0.860 1.241 0.648 29 0.866 1.225 0.631 30 0.908 1.134 0.539 31 0.920 1.108 0.515 32 0.948 1.051 0.465 33 0.965 1.018 0.438 0.128089e+24 23.107511 53.207009 0.126635e+09 8.102554 18.656821 0.100000e+01 0.000000 0.000000 0.187259e+09 8.272442 19.048001 0.540150e+07 6.732515 15.502188 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.1600 -2.4753 1.6800 3.6898 -115.5451 -132.1327 -121.3227 1.7456 8.6535 2.0856 7.4551 -9.1325 1.6774 1.7456 8.6535 2.0856 44.8979 -2.8433 14.9471 -2.7637 -6.4285 15.9885 -14.1552 -3.5320 -8.7505 7.7229 -3513.2293 -2034.6524 -1606.8266 49.4007 19.8464 -19.5963 12.2235 -7.6764 29.7074 -977.0861 -912.2793 -600.5969 -12.0037 30.0812 -12.0833 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1250.5400567 4.894E-9 3.161E-6 0.3479998 0.3687645 -1250.1712922 -1250.170348 -1250.2422942 -0.126105,-1.4663362,1.5924412,-4.3156838,4.1218873,-6.8339959 C01 [X(C15H22Cl1N1O2)] 0.7848762 -0.9492809 -0.7682761 -0.220974 -0.1284862 -0.032195 -0.155334 -0.4616125 0.0185519 0.0462166 0.1201546 -0.1961796 -1.3067276 0.2786634 -0.3203328 0.2633267 -0.605342 0.1609089 -0.3180824 0.1320283 -0.5201911 -1.0049597 0.2595234 0.4805606 0.157444 -0.5616509 -0.3069307 0.2306877 -0.3488368 -0.7956977 -0.6604841 0.000798 -0.0563395 0.1278183 -0.6633305 -0.3810277 0.1013895 -0.5203842 -0.8913296 0.5562275 0.0987083 0.2187721 0.1587592 0.2721135 0.0725699 0.2402356 -0.0094368 0.2598893 0.424402 -0.3142648 -0.2127797 -0.2268818 0.1086944 0.0503275 -0.2531425 0.1426744 0.0482764 -0.0424122 0.0817351 -0.119758 0.0295924 -0.0052203 -0.1108175 -0.0566698 -0.1275131 0.0936291 0.9046776 -0.0897655 0.119824 0.1163183 0.1292294 0.0218395 0.0497505 0.0201226 0.3332711 -0.0024566 -0.1195796 0.137084 -0.0802772 0.1051198 -0.1174548 0.1035129 -0.1317764 0.0379917 -0.0039995 -0.0156086 -0.0645406 -0.0213075 -0.0398926 -0.0683211 -0.083162 -0.0438984 0.0167709 0.1100589 0.0261593 -0.0320445 -0.002502 0.139003 0.0126954 0.0322631 0.0475571 0.0293084 0.9566045 -0.0145931 -0.3832447 -0.1379814 0.7900293 0.7866175 -0.3566843 0.9353848 1.189891 -0.1157708 -0.1235075 0.1041715 -0.0333305 -0.0234207 -0.082885 0.0043505 -0.0157081 -0.1422899 -0.0877765 0.097211 -0.1518418 0.0309063 -0.146306 0.0151774 -0.075894 -0.067114 -0.0342535 0.0467287 0.1080509 -0.0469512 0.0419684 0.0418489 0.0035209 -0.0164723 0.0730272 0.0028249 0.056429 -0.0682365 -0.0822496 -0.0721267 0.0130777 -0.071693 -0.0682417 -0.0622333 0.0129936 0.0624423 -0.0383941 0.0347802 -0.0311309 0.0973527 0.0093247 -0.0301842 -0.0037604 0.0485237 0.0285683 0.0329397 -0.0803081 0.0563884 0.4967313 -0.1272475 -0.1139644 -0.2650299 0.1817161 0.5830213 -0.2320596 0.1219824 -0.4423039 0.579606 -0.1935752 0.2130916 -0.1372545 0.4747527 -0.0359202 -0.0266603 -0.0003688 -0.0044443 0.015275 0.0044831 0.0426748 0.0345326 -0.0459716 -0.0151078 0.0416777 0.0047589 -0.0640021 -0.0853057 -0.0709728 0.0148742 -0.0680397 0.023488 -0.0682531 0.004356 0.0301268 -0.0372434 0.0257043 0.0130177 0.0939785 0.0459343 -0.1318512 0.033433 0.0035981 0.1030479 -0.0245212 0.0179813 0.0532907 0.0953735 -0.0029536 -0.0493891 -0.0700943 -0.0655407 -0.0532056 -0.0463719 0.0877401 -0.0306319 -0.041655 -0.0263089 0.0494939 0.0568646 0.0987429 -0.0179878 0.1006497 -0.0705488 0.0475115 -0.0148256 0.063485 0.0151873 -0.1100113 0.018973 0.012175 0.0464534 0.0636311 -0.005634 0.0066134 -0.0106712 0.006028 0.0453392 0.0041566 0.0175039 -0.0365401 -0.1388117 -0.002562 0.0065713 -0.0360452 -0.0115863 0.0551981 0.056564 -0.0009817 0.0673944 -0.0327385 0.0837594 -0.0184504 0.0924094 0.0521439 0.043562 0.0020538 0.0741498 -0.0225271 0.0542298 0.0839503 0.0851919 0.0640816 -0.0192732 0.041511 0.062445 0.039323 0.0772156 -0.0119406 0.000934 0.0556644 -0.0393101 0.0307926 -0.062038 -0.0832265 0.0955833 -0.0182198 0.002215 0.0602793 0.0332188 0.0483756 0.0361736 -0.0056045 0.0055594 -0.1190646 -0.0275262 -0.0133112 -0.0287247 -0.123491 0.0091339 -0.0267033 -0.0445812 0.0833889 0.0730678 0.0834383 0.0544798 -0.0003164 0.0669459 -0.0013383 0.0700298 0.0431754 0.0150354 -0.0108481 -0.0014538 -0.1322307 -0.072754 -0.012342 -0.033355 0.0388495 -0.1196663 0.0519807 -0.0386014 0.0492936 0.040477 -0.0006599 0.0289047 -0.0272293 0.0498222 0.0312939 -0.0614301 0.0740526 -0.0414839 0.0025173 0.0997694 0.0498209 0.0922803 -0.1292196 0.0578938 -0.023017 0.0391359 -0.0321389 0.0046751 0.0120835 0.0025167 0.0302475 -0.0314181 -0.0254657 0.0232511 0.0153911 0.0309658 -0.0427305 0.041206 0.0212636 0.0457129 0.0781986 -0.0043043 -0.0264402 0.1197572 0.0763251 -0.0061848 0.0621462 -0.0053214 0.0906827 -0.168216 0.0306185 -0.014395 -0.0328935 0.1159367 -0.130579 -0.0445988 0.002541 -0.1268933 -0.0528278 -0.161442 -0.0103662 -0.0587113 -0.0705457 0.0294249 0.0028422 -0.0390687 0.0172656 0.0663512 212.5911308|-18.8618609|197.9660782|-7.3608694|-12.2732825|195.1932159 0.000002541 0.000011370 -0.000005991 -0.000001797 -0.000002938 0.000001242 0.000006750 -0.000000929 -0.000003828 0.000006795 -0.000005544 0.000006688 -0.000004724 0.000003342 -0.000006405 -0.000004980 0.000004490 0.000000973 -0.000002499 0.000000695 -0.000001628 0.000004209 -0.000004203 0.000001153 0.000001437 0.000000861 -0.000000854 0.000000909 0.000004842 0.000004511 0.000001820 0.000002243 -0.000001667 -0.000006234 0.000002533 -0.000003838 0.000002603 -0.000001356 -0.000001112 -0.000002799 0.000004580 -0.000000170 0.000000603 -0.000003753 0.000001501 -0.000000196 -0.000001921 0.000002643 -0.000001459 0.000000435 -0.000001979 -0.000006562 -0.000017315 0.000008103 -0.000000650 0.000002126 -0.000002577 0.000000923 -0.000000512 0.000000732 -0.000000841 -0.000000029 -0.000000326 -0.000000939 -0.000000246 0.000000911 0.000000110 -0.000000870 -0.000000245 0.000000318 -0.000002147 -0.000000268 -0.000000316 -0.000001367 -0.000000832 0.000000324 -0.000001522 0.000001399 0.000001787 0.000000410 0.000002137 -0.000000312 0.000000292 0.000000027 0.000000801 -0.000000062 0.000000822 0.000000130 0.000001522 -0.000001427 -0.000000904 0.000000081 -0.000001206 -0.000000485 -0.000001253 0.000000165 0.000000314 0.000000923 0.000000207 0.000000710 0.000000091 0.000000945 0.000000765 0.000000683 0.000000135 0.000000403 0.000001830 0.000001069 0.000001326 0.000002801 -0.000000939 0.000001858 0.000004203 0.000000000 -0.000000628 -0.000001812 0.000000411 -0.000000510 -0.000001728 -0.000000369 -0.000000599 -0.000000848 -0.000000114 261.61899999999986 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;4;2;3;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3531,2.8285,.9018;-3.8317,.2846,-1.1835;-1.4412,1.1347,1.8981;-.4394,-.0455,.2244;-1.7765,-.4895,-.267;.7687,-.6594,-.2687;1.2634,-1.8022,.3877;-2.4849,.675,-.97;1.4197,-.1205,-1.3915;-1.6954,-1.7153,-1.1711;.5611,-2.4276,1.5772;-.4247,.7809,1.3203;2.4477,-2.3777,-.08;2.6049,-.7242,-1.8221;.8589,1.0507,-2.1575;3.1199,-1.8404,-1.172;1.2505,-2.1421,2.9227;.9323,1.3003,1.7946;-4.62,1.3116,-1.7548;-2.3742,-.7263,.6176;-2.4404,1.5702,-.3395;-1.9965,.8942,-1.9304;-1.0925,-1.5194,-2.0613;-2.7079,-1.9644,-1.4903;-1.2706,-2.5775,-.6555;-.4757,-2.0927,1.6286;.5302,-3.5109,1.4211;2.839,-3.2597,.4166;3.1253,-.311,-2.6795;.3129,1.7374,-1.5142;1.6587,1.6072,-2.6496;.1723,.7014,-2.9364;4.0398,-2.2955,-1.5216;1.2161,-1.0799,3.1739;2.3001,-2.4464,2.9;.755,-2.687,3.7303;.8386,1.5671,2.8434;1.7583,.6161,1.6308;-4.236,1.6126,-2.7406;-4.6553,2.1979,-1.1061;-5.6294,.916,-1.8728; Gaussian 16 12-Nov-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C15H22ClNO2)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 261.61899999999986 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;4;2;3;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3531,2.8285,.9018;-3.8317,.2846,-1.1835;-1.4412,1.1347,1.8981;-.4394,-.0455,.2244;-1.7765,-.4895,-.267;.7687,-.6594,-.2687;1.2634,-1.8022,.3877;-2.4849,.675,-.97;1.4197,-.1205,-1.3915;-1.6954,-1.7153,-1.1711;.5611,-2.4276,1.5772;-.4247,.7809,1.3203;2.4477,-2.3777,-.08;2.6049,-.7242,-1.8221;.8589,1.0507,-2.1575;3.1199,-1.8404,-1.172;1.2505,-2.1421,2.9227;.9323,1.3003,1.7946;-4.62,1.3116,-1.7548;-2.3742,-.7263,.6176;-2.4404,1.5702,-.3395;-1.9965,.8942,-1.9304;-1.0925,-1.5194,-2.0613;-2.7079,-1.9644,-1.4903;-1.2706,-2.5775,-.6555;-.4757,-2.0927,1.6286;.5302,-3.5109,1.4211;2.839,-3.2597,.4166;3.1253,-.311,-2.6795;.3129,1.7374,-1.5142;1.6587,1.6072,-2.6496;.1723,.7014,-2.9364;4.0398,-2.2955,-1.5216;1.2161,-1.0798,3.1739;2.3001,-2.4464,2.9;.755,-2.687,3.7303;.8386,1.5671,2.8434;1.7583,.6161,1.6308;-4.236,1.6126,-2.7406;-4.6553,2.1979,-1.1061;-5.6294,.916,-1.8728; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/metolach #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction metolachlor CONF57 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 35 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 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 577 A 558 A 558 877 577 76 76 1698.1996205194 41 41 41 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 -0.0527586822 0.000000 6.140142 0.000000 3.416087 3.991566 0.000000 3.454235 3.687619 2.279874 0.000000 4.708413 2.379635 2.727230 1.492126 0.000000 3.725191 4.784484 3.577357 1.442034 2.550880 0.000000 4.659928 5.725575 4.268611 2.451879 3.375295 1.407589 0.000000 4.782393 1.418361 3.086448 2.475818 1.533560 3.585842 4.693473 0.000000 3.736364 5.271119 4.536773 2.464395 3.408343 1.405398 2.453178 4.007086 0.000000 5.851135 2.926275 4.195987 2.512549 1.525282 2.828597 3.345390 2.525252 3.506600 0.000000 5.358101 5.854331 4.099006 2.916356 3.552705 2.564501 1.516334 5.039013 3.856593 3.626573 0.000000 2.743750 4.257062 1.221622 1.372666 2.441463 2.454296 3.223559 3.082362 3.401259 3.748652 3.366294 0.000000 5.409830 6.909123 5.601197 3.723840 4.630823 2.409798 1.397379 5.868681 2.805685 4.335304 2.511592 4.493121 0.000000 4.648494 6.546344 5.802281 3.730469 4.655116 2.406027 2.800881 5.346932 1.398002 4.460800 4.316707 4.617196 2.407034 0.000000 3.572707 4.851532 4.663213 2.925872 3.590485 2.549565 3.844502 3.568283 1.507601 3.892090 5.112232 3.716935 4.312088 2.512178 0.000000 5.405592 7.269092 6.251400 4.223711 5.159331 2.781845 2.425007 6.146657 2.428319 4.816940 3.801329 5.064237 1.390298 1.390619 3.800199 0.000000 5.366671 6.969753 4.362620 3.812116 4.697676 3.551830 2.557760 6.086187 4.767444 5.061555 1.538558 3.730655 3.241167 5.134062 6.012980 4.511347 0.000000 1.819200 5.709286 2.381550 2.481615 3.845929 2.850360 3.422597 4.439729 3.522499 4.979334 3.752595 1.528453 4.397525 4.469581 3.960693 4.842531 3.636470 0.000000 6.710910 1.415200 4.845572 4.820450 3.680081 5.927209 6.992852 2.362213 6.217836 4.249250 7.206090 5.228648 8.146710 7.506530 5.499900 8.377400 8.262576 6.589901 0.000000 5.158479 2.527810 2.444043 2.088443 1.093544 3.266160 3.800289 2.120396 4.335633 2.153600 3.525775 2.562434 5.144378 5.544685 4.616494 5.884619 4.522868 4.052836 3.850349 0.000000 4.185059 2.073783 2.488955 2.632968 2.165195 3.908246 5.061536 1.095815 4.343465 3.469944 5.353939 2.727836 6.288606 5.737328 3.802676 6.575826 6.168124 4.000316 2.611626 2.488836 0.000000 4.793969 2.073037 3.875963 2.819693 2.174806 3.580681 4.823942 1.099564 3.604244 2.734367 5.466126 3.612509 5.820680 4.878885 2.868694 5.850686 6.581374 4.755861 2.662312 3.043179 1.784564 0.000000 5.802202 3.395327 4.779424 2.797050 2.179075 2.723463 3.409939 2.818742 2.952462 1.092925 4.098522 4.144025 4.146737 3.789482 3.228451 4.317192 5.542374 5.188367 4.533462 3.073834 3.785119 2.580740 0.000000 6.722031 2.532794 4.763390 3.430517 2.130599 3.909231 4.395918 2.699415 4.521874 1.090461 4.506687 4.544143 5.360986 5.465704 4.717883 5.837797 5.930836 5.890680 3.802463 2.467269 3.726821 2.978557 1.770212 0.000000 6.207491 3.876715 4.508842 2.806372 2.183244 2.826164 2.847873 3.485899 3.717049 1.090689 2.891796 3.987199 3.767907 4.451405 4.467030 4.481800 4.398742 5.088491 5.248991 2.503068 4.320988 3.768925 1.768467 1.771571 0.000000 5.300029 4.982130 3.379461 2.482733 2.802820 2.683727 2.156055 4.295259 4.074739 3.077045 1.090730 2.890513 3.398055 4.823918 5.098682 4.564533 2.157955 3.677259 6.341321 2.548237 4.598930 4.888841 3.784790 3.837535 2.466571 0.000000 6.413648 6.341563 5.069075 3.792266 4.159319 3.323179 2.127349 5.685916 4.494191 3.859679 1.094982 4.397912 2.686018 4.752815 5.807173 4.027617 2.155737 4.842420 7.737456 4.103071 6.143438 6.084582 4.327439 4.620952 2.902869 1.751052 0.000000 6.285647 7.721428 6.310789 4.595208 5.426316 3.393725 2.146643 6.763759 3.890825 5.046513 2.688575 5.272092 1.085217 3.390520 5.396889 2.148708 3.170671 5.131097 9.013855 5.799689 7.195264 6.793069 4.962425 6.006875 4.301643 3.717287 2.530439 0.000000 5.081657 7.140895 6.625527 4.605439 5.466240 3.389245 3.885589 5.947198 2.145706 5.242781 5.401320 5.458312 3.389334 1.084715 2.695044 2.147451 6.184873 5.236749 7.967301 6.425562 6.323869 5.314751 4.430827 6.178533 5.343904 5.890760 5.812864 4.285143 0.000000 2.847686 4.404295 3.883785 2.601431 3.298510 2.739309 4.129022 3.041853 2.166078 4.009030 5.192797 3.081106 4.852656 3.377488 1.087935 4.560346 5.967881 3.394527 4.957122 4.223155 2.998080 2.493505 3.589124 4.778047 4.675790 5.016826 6.017346 5.922866 3.669285 0.000000 3.767982 5.834630 5.523970 3.923416 4.676888 3.405635 4.583101 4.567236 2.150490 4.947211 5.945556 4.558881 4.806723 2.648632 1.091541 4.025433 6.728637 4.513658 6.349014 5.690691 4.705342 3.792869 4.206049 5.759127 5.483462 6.045454 6.636236 5.872084 2.414826 1.765580 0.000000 4.544325 4.390713 5.115033 3.304951 3.513078 3.053565 4.302054 3.305813 2.148996 3.527767 5.505823 4.299110 4.776750 3.031714 1.095523 4.273415 6.601310 4.828986 4.973402 4.599340 3.784799 2.398527 2.701397 4.182514 4.246800 5.391290 6.071245 5.834762 3.132290 1.765210 1.764109 0.000000 6.272680 8.290456 7.314532 5.307940 6.218175 3.866113 3.405525 7.190274 3.407693 5.775191 4.660656 6.121477 2.149392 2.149033 4.660405 1.084284 5.249400 5.795154 9.383950 6.941070 7.637662 6.839482 5.218660 6.755935 5.388008 5.509528 4.738675 2.475556 2.472860 5.491276 4.708806 5.093197 0.000000 4.522794 6.806484 3.686914 3.536948 4.598276 3.496875 2.878679 5.826513 4.669567 5.268711 2.189723 3.096822 3.713329 5.197613 5.752413 4.805102 1.092111 2.765466 8.004484 4.421558 5.721606 6.345953 5.738504 6.159141 4.805294 2.505202 3.074552 3.871451 6.204662 5.543491 6.428738 6.449641 5.612360 0.000000 5.719599 7.856940 5.274995 4.519730 5.520726 3.947041 2.793152 6.900417 4.960085 5.750854 2.185035 4.509474 2.984450 5.035637 6.315468 4.197663 1.093091 4.138892 9.147581 5.478808 7.007126 7.276886 6.081442 6.677361 5.040717 3.073532 2.540266 2.668187 6.030894 6.398291 6.902256 6.964191 4.753973 1.765639 0.000000 6.227236 7.349391 4.773477 4.549253 5.216964 4.483677 3.494942 6.625159 5.767361 5.565300 2.177367 4.384782 4.180824 6.172871 6.974792 5.508331 1.092964 4.435858 8.658367 4.829675 6.700616 7.241528 6.190311 6.306265 4.832261 2.507031 2.462055 3.956219 7.235270 6.875730 7.743388 7.501080 6.206928 1.762180 1.770443 0.000000 2.371748 6.298549 2.505664 3.330613 4.554429 3.827172 4.190782 5.136452 4.595672 5.771565 4.199730 2.129280 5.166879 5.489690 5.027501 5.739171 3.732867 1.086185 7.141794 4.531686 4.569771 5.592769 6.108365 6.620438 5.819647 4.073970 5.282465 5.760988 6.265648 4.392418 5.553989 5.882116 6.649838 2.694082 4.271703 4.346411 0.000000 2.364330 6.267144 3.252259 2.691722 4.161550 2.492828 2.763715 4.977117 3.129156 5.021306 3.271095 2.211072 3.516371 3.799446 3.917744 3.967835 3.087842 1.084981 7.254540 4.461611 4.735090 5.182392 5.130212 6.028836 4.959831 3.511141 4.310992 4.202878 4.615932 3.638258 4.394741 4.835467 4.860082 2.356108 3.359096 4.040438 1.794583 0.000000 6.781115 2.086106 5.436587 5.094588 4.072640 6.026564 7.189550 2.660964 6.067204 4.471322 7.614351 5.631056 8.226380 7.287094 5.158878 8.276034 8.733401 6.883109 1.099904 4.496021 2.998522 2.487563 4.489176 4.085766 5.540545 6.852664 8.141686 9.152238 7.608740 4.713019 5.895398 4.505749 9.233010 8.482690 9.540055 9.234184 7.545501 7.485530 0.000000 6.366325 2.084528 4.526123 4.957548 4.026608 6.187535 7.298124 2.654929 6.508674 4.906959 7.470343 5.078733 8.511296 7.858871 5.729612 8.761620 8.363334 6.359346 1.098915 4.089701 2.426428 3.073828 5.236887 4.611421 5.870551 6.584613 8.115857 9.395191 8.325175 5.006201 6.526722 5.375462 9.796375 7.970928 9.273424 8.747888 6.795544 7.150282 1.786080 0.000000 7.753157 2.026286 5.639878 5.679720 4.404410 6.781676 7.746525 3.280436 7.141196 4.784602 7.836096 6.107652 8.905214 8.396219 6.495989 9.199961 8.926472 7.526877 1.090584 4.415391 3.598438 3.633465 5.152735 4.120499 5.717103 6.919035 8.269728 9.715596 8.877031 6.009571 7.361914 5.902317 10.194686 8.735790 9.846975 9.227043 8.031300 8.181865 1.783240 1.783270 0.000000 C15H22ClNO2 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 0 261.61899999999986 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;4;2;3;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4756,3.2263,.5988;3.8471,-1.0548,-.2306;1.2183,1.4984,-1.8127;.3157,.0005,-.35;1.4927,-.8971,-.5383;-.8685,-.4681,.3263;-1.8749,-1.0979,-.4299;2.7115,-.3157,.1887;-.993,-.3013,1.7162;1.2172,-2.3312,-.0979;-1.7505,-1.3257,-1.9238;.3186,1.1816,-1.0495;-3.0306,-1.5277,.2276;-2.1684,-.7407,2.3326;.1101,.2939,2.5539;-3.1824,-1.345,1.5974;-2.6075,-.3674,-2.769;-.846,2.1435,-.8154;5.058,-.5595,.309;1.7327,-.8818,-1.6051;2.8262,.743,-.0694;2.583,-.4024,1.2773;.9596,-2.3838,.9629;2.1255,-2.9124,-.2597;.4062,-2.7863,-.6678;-.709,-1.2449,-2.2376;-2.06,-2.3542,-2.1366;-3.8135,-2.0158,-.3439;-2.284,-.6066,3.4028;.6836,1.0391,2.0066;-.2986,.7674,3.4484;.8025,-.4891,2.882;-4.0863,-1.6803,2.0936;-2.2697,.6665,-2.6699;-3.6571,-.4065,-2.4663;-2.548,-.6325,-3.8277;-.9277,2.7859,-1.6875;-1.7902,1.6599,-.588;5.0586,-.6081,1.4078;5.2373,.4807,.0032;5.863,-1.1874,-.0745; 0.4033974 0.2651659 0.2413549 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= 558 RedAO= T EigKep= 2.67D-06 NBF= 558 NBsUse= 555 1.00D-06 EigRej= 9.31D-07 NBFU= 555 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= 576 576 576 576 576 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1250.54005671191 -1250.54005671 1 1.245967243495e+03 -6.329215384200e+03 2.134561222156e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3774191901 LenY= 3773858395 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. PT581.500S 2022-11-12T03:49:12.000 -101.54792 -19.12850 -19.10098 -14.35732 -10.28691 -10.24126 -10.22468 -10.21911 -10.21626 -10.21368 -10.20017 -10.19909 -10.18909 -10.18726 -10.18560 -10.18463 -10.17520 -10.17421 -10.16643 -9.46226 -7.22710 -7.21696 -7.21667 -1.05613 -1.04019 -0.95798 -0.87219 -0.86117 -0.81132 -0.79555 -0.77492 -0.74294 -0.71686 -0.70965 -0.70066 -0.65838 -0.65369 -0.62488 -0.60986 -0.58844 -0.56197 -0.52445 -0.51694 -0.50558 -0.49033 -0.48724 -0.47806 -0.46328 -0.45747 -0.45294 -0.44665 -0.44374 -0.43401 -0.43018 -0.42558 -0.42084 -0.41173 -0.40327 -0.40205 -0.39418 -0.39109 -0.38315 -0.37038 -0.36225 -0.36102 -0.35470 -0.35163 -0.34876 -0.32811 -0.31650 -0.30681 -0.27787 -0.26547 -0.26431 -0.25881 -0.25685 -0.03971 -0.03218 -0.02667 -0.00465 0.00479 0.00859 0.01050 0.01830 0.02357 0.02867 0.03246 0.03908 0.03995 0.04614 0.04921 0.05258 0.05550 0.05594 0.06347 0.06711 0.07071 0.07611 0.08051 0.08417 0.08719 0.08824 0.09259 0.09530 0.09936 0.10300 0.10757 0.11376 0.11532 0.11882 0.12327 0.12539 0.12784 0.13210 0.13272 0.13706 0.14200 0.14458 0.14822 0.14921 0.15181 0.16025 0.16149 0.16489 0.16972 0.17270 0.17510 0.17673 0.18005 0.18314 0.18670 0.18860 0.19113 0.19464 0.19770 0.19964 0.20441 0.20800 0.21045 0.21319 0.21498 0.21660 0.22005 0.22256 0.22728 0.22908 0.23730 0.23856 0.23977 0.24080 0.24521 0.24832 0.25257 0.25513 0.25826 0.26038 0.26262 0.26808 0.27209 0.27474 0.28153 0.28415 0.28859 0.28960 0.29531 0.29759 0.29882 0.30547 0.31373 0.31598 0.31777 0.32606 0.33444 0.33858 0.34188 0.34629 0.35093 0.36214 0.37394 0.37521 0.38162 0.38304 0.39201 0.39525 0.39635 0.40344 0.41027 0.41421 0.42768 0.43212 0.43451 0.43790 0.44561 0.45632 0.46691 0.47099 0.47643 0.48145 0.49414 0.50128 0.51108 0.51283 0.51699 0.52286 0.52486 0.53860 0.53991 0.54527 0.55100 0.55390 0.55913 0.56705 0.57812 0.58157 0.58414 0.59181 0.60332 0.60559 0.61180 0.61631 0.62026 0.63639 0.64154 0.64799 0.65347 0.65711 0.66136 0.66765 0.67065 0.67889 0.68353 0.68999 0.69749 0.69960 0.70191 0.70299 0.70622 0.71324 0.71968 0.72509 0.73267 0.73549 0.73977 0.74497 0.75041 0.75718 0.76173 0.76754 0.76869 0.77815 0.78207 0.78585 0.79272 0.79563 0.81076 0.82667 0.83793 0.84001 0.84649 0.85274 0.86759 0.88176 0.88868 0.90695 0.91868 0.92925 0.93726 0.95204 0.95266 0.95354 0.96505 0.97205 0.99454 1.00030 1.00651 1.01480 1.02276 1.02534 1.03934 1.05311 1.06189 1.06792 1.08054 1.08523 1.10195 1.11210 1.12287 1.13021 1.13779 1.14421 1.15776 1.17641 1.20305 1.21266 1.21953 1.23935 1.24047 1.26526 1.27682 1.28231 1.28720 1.30185 1.30542 1.31772 1.33905 1.34829 1.36343 1.36536 1.40016 1.40771 1.42035 1.42580 1.44111 1.44500 1.47115 1.47804 1.48490 1.48740 1.49466 1.50269 1.51503 1.52209 1.52794 1.53652 1.54022 1.55342 1.56011 1.56387 1.56751 1.57283 1.58450 1.58656 1.58852 1.59383 1.60258 1.60936 1.61132 1.62369 1.62708 1.63958 1.64255 1.65645 1.66160 1.66517 1.66867 1.67432 1.68545 1.69001 1.69714 1.70669 1.72082 1.73546 1.73989 1.74368 1.75067 1.75314 1.77074 1.77363 1.79691 1.80556 1.80972 1.81526 1.83418 1.83727 1.84897 1.85969 1.86312 1.86787 1.88894 1.89572 1.89622 1.91212 1.92031 1.92779 1.94297 1.95233 1.95948 1.96988 1.99046 2.00367 2.00763 2.02782 2.04697 2.04948 2.07554 2.07758 2.10473 2.11635 2.11772 2.12296 2.12860 2.14414 2.15985 2.16781 2.19167 2.19579 2.20695 2.21423 2.21620 2.23134 2.24573 2.27144 2.28224 2.29985 2.30857 2.31845 2.33007 2.34937 2.35948 2.37357 2.38815 2.40004 2.40566 2.41933 2.43456 2.43868 2.47234 2.47343 2.48705 2.48810 2.49192 2.50017 2.50949 2.51944 2.53300 2.54009 2.54622 2.55291 2.56065 2.56865 2.57774 2.58432 2.58923 2.60869 2.61843 2.62290 2.63103 2.63828 2.64545 2.65683 2.66721 2.68391 2.69554 2.70463 2.70831 2.71489 2.72811 2.73551 2.74747 2.76192 2.77514 2.78233 2.79581 2.80093 2.80986 2.82773 2.84078 2.85122 2.85752 2.86101 2.87805 2.89533 2.89926 2.92211 2.93402 2.95207 2.96021 2.96670 2.97685 2.99485 3.01638 3.02633 3.03395 3.04882 3.06200 3.08293 3.11892 3.16028 3.16610 3.18879 3.22045 3.22377 3.23781 3.25627 3.26263 3.28822 3.29932 3.33657 3.37947 3.39379 3.43305 3.44042 3.46830 3.48845 3.57356 3.60675 3.66958 3.69373 3.77257 3.78886 3.79168 3.79705 3.80290 3.80616 3.81945 3.82527 3.82887 3.84182 3.85164 3.86127 3.90370 3.99922 4.02825 4.08507 4.10047 4.11174 4.13881 4.16621 4.19388 4.21388 4.31068 4.33535 4.37305 4.85106 4.89212 5.01443 5.07633 5.15824 5.27379 5.41003 5.70247 5.81369 9.83138 23.62053 23.82318 23.83180 23.88113 23.88954 23.91545 23.93360 23.93568 23.96001 23.99607 24.01102 24.02112 24.08708 24.09398 24.18016 25.97772 26.11536 26.57000 35.62222 49.95067 50.05155 215.83486 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 Cl O O N 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 0.074663 -0.173752 -0.239113 0.347738 -0.377951 0.135214 0.251822 -0.076426 0.048373 -0.446460 -0.222392 0.173560 -0.481445 -0.296426 -0.478225 -0.118651 -0.565464 -0.800031 -0.221045 0.202022 0.165096 0.123688 0.166365 0.175912 0.142112 0.161035 0.151296 0.122480 0.122014 0.163554 0.152190 0.172924 0.127805 0.143830 0.141727 0.149524 0.238330 0.241304 0.124009 0.132106 0.146687 -0.00000 -2.1600 -2.4753 1.6800 3.6898 -115.5450 -132.1327 -121.3227 1.7456 8.6535 2.0856 7.4551 -9.1325 1.6774 1.7456 8.6535 2.0856 44.8979 -2.8432 14.9471 -2.7637 -6.4285 15.9885 -14.1552 -3.5320 -8.7505 7.7229 -3513.2292 -2034.6523 -1606.8266 49.4008 19.8464 -19.5963 12.2235 -7.6764 29.7074 -977.0860 -912.2793 -600.5969 -12.0037 30.0812 -12.0833 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS19 APULGAR 2022-11-12T00:00:00.000 0 Wavefunction metolachlor CONF57 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1250.5400567 RMSD=4.330e-09 Dipole=0.7848762,-0.9492812,-0.7682757 Quadrupole=-0.1261072,-1.4663322,1.5924394,-4.3156863,4.1218905,-6.8339964 PG=C01 [X(C15H22Cl1N1O2)] 0 1.3530797496 2.8284525626 0.9018493412 0 -3.8316623638 0.2845792916 -1.1834557384 0 -1.4412412316 1.1346560295 1.8980793952 0 -0.4393871777 -0.0455417783 0.2243864134 0 -1.7765122132 -0.4894651614 -0.2670093157 0 0.76869797 -0.6594401048 -0.268686461 0 1.2633635639 -1.8021531015 0.3876816164 0 -2.4848981707 0.6749515874 -0.9699532523 0 1.4197473297 -0.120495974 -1.391547793 0 -1.6954249825 -1.7152764972 -1.171054561 0 0.5610865585 -2.4275841539 1.5771823633 0 -0.4246914075 0.7808717963 1.3203048425 0 2.4477181698 -2.3776990345 -0.079991456 0 2.6048780558 -0.7242065152 -1.8221379607 0 0.8589329211 1.0506864907 -2.1574978976 0 3.1198895495 -1.8403895178 -1.1719685398 0 1.2504536284 -2.142134732 2.9227124136 0 0.9322903231 1.3002690909 1.7946429842 0 -4.6199957557 1.3116386685 -1.7548329797 0 -2.3742083738 -0.7263213919 0.6175797309 0 -2.4403863748 1.57016538 -0.3395388411 0 -1.9964731233 0.8942396658 -1.9303673249 0 -1.0924923411 -1.5194474417 -2.0613398172 0 -2.7079022656 -1.964433338 -1.4902972871 0 -1.2706157221 -2.5774529406 -0.655504443 0 -0.4756888891 -2.0927020275 1.6285882049 0 0.5301563772 -3.5109488585 1.4211399322 0 2.8390344424 -3.25971919 0.4166058146 0 3.1253123254 -0.3110443856 -2.6794900425 0 0.3129387079 1.7374156888 -1.5141510463 0 1.6587014136 1.6071697202 -2.6495941565 0 0.1723093174 0.7013805526 -2.9364100147 0 4.0398443449 -2.295478488 -1.5216082691 0 1.2161362278 -1.0798504374 3.1738694367 0 2.3000920549 -2.4464235132 2.9000129537 0 0.7550450554 -2.6870336763 3.7303180317 0 0.8386214969 1.5670964429 2.8433696738 0 1.7582636591 0.6160908751 1.6307795279 0 -4.2359917199 1.6125975424 -2.7406082229 0 -4.6553068598 2.1979226782 -1.1060901144 0 -5.6294174636 0.9160091294 -1.8728093577 Gaussian 16 12-Nov-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C15H22ClNO2)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=checkguess=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 0 261.61899999999986 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;4;2;3;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3531,2.8285,.9018;-3.8317,.2846,-1.1835;-1.4412,1.1347,1.8981;-.4394,-.0455,.2244;-1.7765,-.4895,-.267;.7687,-.6594,-.2687;1.2634,-1.8022,.3877;-2.4849,.675,-.97;1.4197,-.1205,-1.3915;-1.6954,-1.7153,-1.1711;.5611,-2.4276,1.5772;-.4247,.7809,1.3203;2.4477,-2.3777,-.08;2.6049,-.7242,-1.8221;.8589,1.0507,-2.1575;3.1199,-1.8404,-1.172;1.2505,-2.1421,2.9227;.9323,1.3003,1.7946;-4.62,1.3116,-1.7548;-2.3742,-.7263,.6176;-2.4404,1.5702,-.3395;-1.9965,.8942,-1.9304;-1.0925,-1.5194,-2.0613;-2.7079,-1.9644,-1.4903;-1.2706,-2.5775,-.6555;-.4757,-2.0927,1.6286;.5302,-3.5109,1.4211;2.839,-3.2597,.4166;3.1253,-.311,-2.6795;.3129,1.7374,-1.5142;1.6587,1.6072,-2.6496;.1723,.7014,-2.9364;4.0398,-2.2955,-1.5216;1.2161,-1.0798,3.1739;2.3001,-2.4464,2.9;.755,-2.687,3.7303;.8386,1.5671,2.8434;1.7583,.6161,1.6308;-4.236,1.6126,-2.7406;-4.6553,2.1979,-1.1061;-5.6294,.916,-1.8728; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/metolach #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum metolachlor CONF57 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 35 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 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 577 A 558 A 558 877 577 76 76 1698.1996205194 41 41 41 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 -0.0527586822 0.000000 6.140142 0.000000 3.416087 3.991566 0.000000 3.454235 3.687619 2.279874 0.000000 4.708413 2.379635 2.727230 1.492126 0.000000 3.725191 4.784484 3.577357 1.442034 2.550880 0.000000 4.659928 5.725575 4.268611 2.451879 3.375295 1.407589 0.000000 4.782393 1.418361 3.086448 2.475818 1.533560 3.585842 4.693473 0.000000 3.736364 5.271119 4.536773 2.464395 3.408343 1.405398 2.453178 4.007086 0.000000 5.851135 2.926275 4.195987 2.512549 1.525282 2.828597 3.345390 2.525252 3.506600 0.000000 5.358101 5.854331 4.099006 2.916356 3.552705 2.564501 1.516334 5.039013 3.856593 3.626573 0.000000 2.743750 4.257062 1.221622 1.372666 2.441463 2.454296 3.223559 3.082362 3.401259 3.748652 3.366294 0.000000 5.409830 6.909123 5.601197 3.723840 4.630823 2.409798 1.397379 5.868681 2.805685 4.335304 2.511592 4.493121 0.000000 4.648494 6.546344 5.802281 3.730469 4.655116 2.406027 2.800881 5.346932 1.398002 4.460800 4.316707 4.617196 2.407034 0.000000 3.572707 4.851532 4.663213 2.925872 3.590485 2.549565 3.844502 3.568283 1.507601 3.892090 5.112232 3.716935 4.312088 2.512178 0.000000 5.405592 7.269092 6.251400 4.223711 5.159331 2.781845 2.425007 6.146657 2.428319 4.816940 3.801329 5.064237 1.390298 1.390619 3.800199 0.000000 5.366671 6.969753 4.362620 3.812116 4.697676 3.551830 2.557760 6.086187 4.767444 5.061555 1.538558 3.730655 3.241167 5.134062 6.012980 4.511347 0.000000 1.819200 5.709286 2.381550 2.481615 3.845929 2.850360 3.422597 4.439729 3.522499 4.979334 3.752595 1.528453 4.397525 4.469581 3.960693 4.842531 3.636470 0.000000 6.710910 1.415200 4.845572 4.820450 3.680081 5.927209 6.992852 2.362213 6.217836 4.249250 7.206090 5.228648 8.146710 7.506530 5.499900 8.377400 8.262576 6.589901 0.000000 5.158479 2.527810 2.444043 2.088443 1.093544 3.266160 3.800289 2.120396 4.335633 2.153600 3.525775 2.562434 5.144378 5.544685 4.616494 5.884619 4.522868 4.052836 3.850349 0.000000 4.185059 2.073783 2.488955 2.632968 2.165195 3.908246 5.061536 1.095815 4.343465 3.469944 5.353939 2.727836 6.288606 5.737328 3.802676 6.575826 6.168124 4.000316 2.611626 2.488836 0.000000 4.793969 2.073037 3.875963 2.819693 2.174806 3.580681 4.823942 1.099564 3.604244 2.734367 5.466126 3.612509 5.820680 4.878885 2.868694 5.850686 6.581374 4.755861 2.662312 3.043179 1.784564 0.000000 5.802202 3.395327 4.779424 2.797050 2.179075 2.723463 3.409939 2.818742 2.952462 1.092925 4.098522 4.144025 4.146737 3.789482 3.228451 4.317192 5.542374 5.188367 4.533462 3.073834 3.785119 2.580740 0.000000 6.722031 2.532794 4.763390 3.430517 2.130599 3.909231 4.395918 2.699415 4.521874 1.090461 4.506687 4.544143 5.360986 5.465704 4.717883 5.837797 5.930836 5.890680 3.802463 2.467269 3.726821 2.978557 1.770212 0.000000 6.207491 3.876715 4.508842 2.806372 2.183244 2.826164 2.847873 3.485899 3.717049 1.090689 2.891796 3.987199 3.767907 4.451405 4.467030 4.481800 4.398742 5.088491 5.248991 2.503068 4.320988 3.768925 1.768467 1.771571 0.000000 5.300029 4.982130 3.379461 2.482733 2.802820 2.683727 2.156055 4.295259 4.074739 3.077045 1.090730 2.890513 3.398055 4.823918 5.098682 4.564533 2.157955 3.677259 6.341321 2.548237 4.598930 4.888841 3.784790 3.837535 2.466571 0.000000 6.413648 6.341563 5.069075 3.792266 4.159319 3.323179 2.127349 5.685916 4.494191 3.859679 1.094982 4.397912 2.686018 4.752815 5.807173 4.027617 2.155737 4.842420 7.737456 4.103071 6.143438 6.084582 4.327439 4.620952 2.902869 1.751052 0.000000 6.285647 7.721428 6.310789 4.595208 5.426316 3.393725 2.146643 6.763759 3.890825 5.046513 2.688575 5.272092 1.085217 3.390520 5.396889 2.148708 3.170671 5.131097 9.013855 5.799689 7.195264 6.793069 4.962425 6.006875 4.301643 3.717287 2.530439 0.000000 5.081657 7.140895 6.625527 4.605439 5.466240 3.389245 3.885589 5.947198 2.145706 5.242781 5.401320 5.458312 3.389334 1.084715 2.695044 2.147451 6.184873 5.236749 7.967301 6.425562 6.323869 5.314751 4.430827 6.178533 5.343904 5.890760 5.812864 4.285143 0.000000 2.847686 4.404295 3.883785 2.601431 3.298510 2.739309 4.129022 3.041853 2.166078 4.009030 5.192797 3.081106 4.852656 3.377488 1.087935 4.560346 5.967881 3.394527 4.957122 4.223155 2.998080 2.493505 3.589124 4.778047 4.675790 5.016826 6.017346 5.922866 3.669285 0.000000 3.767982 5.834630 5.523970 3.923416 4.676888 3.405635 4.583101 4.567236 2.150490 4.947211 5.945556 4.558881 4.806723 2.648632 1.091541 4.025433 6.728637 4.513658 6.349014 5.690691 4.705342 3.792869 4.206049 5.759127 5.483462 6.045454 6.636236 5.872084 2.414826 1.765580 0.000000 4.544325 4.390713 5.115033 3.304951 3.513078 3.053565 4.302054 3.305813 2.148996 3.527767 5.505823 4.299110 4.776750 3.031714 1.095523 4.273415 6.601310 4.828986 4.973402 4.599340 3.784799 2.398527 2.701397 4.182514 4.246800 5.391290 6.071245 5.834762 3.132290 1.765210 1.764109 0.000000 6.272680 8.290456 7.314532 5.307940 6.218175 3.866113 3.405525 7.190274 3.407693 5.775191 4.660656 6.121477 2.149392 2.149033 4.660405 1.084284 5.249400 5.795154 9.383950 6.941070 7.637662 6.839482 5.218660 6.755935 5.388008 5.509528 4.738675 2.475556 2.472860 5.491276 4.708806 5.093197 0.000000 4.522794 6.806484 3.686914 3.536948 4.598276 3.496875 2.878679 5.826513 4.669567 5.268711 2.189723 3.096822 3.713329 5.197613 5.752413 4.805102 1.092111 2.765466 8.004484 4.421558 5.721606 6.345953 5.738504 6.159141 4.805294 2.505202 3.074552 3.871451 6.204662 5.543491 6.428738 6.449641 5.612360 0.000000 5.719599 7.856940 5.274995 4.519730 5.520726 3.947041 2.793152 6.900417 4.960085 5.750854 2.185035 4.509474 2.984450 5.035637 6.315468 4.197663 1.093091 4.138892 9.147581 5.478808 7.007126 7.276886 6.081442 6.677361 5.040717 3.073532 2.540266 2.668187 6.030894 6.398291 6.902256 6.964191 4.753973 1.765639 0.000000 6.227236 7.349391 4.773477 4.549253 5.216964 4.483677 3.494942 6.625159 5.767361 5.565300 2.177367 4.384782 4.180824 6.172871 6.974792 5.508331 1.092964 4.435858 8.658367 4.829675 6.700616 7.241528 6.190311 6.306265 4.832261 2.507031 2.462055 3.956219 7.235270 6.875730 7.743388 7.501080 6.206928 1.762180 1.770443 0.000000 2.371748 6.298549 2.505664 3.330613 4.554429 3.827172 4.190782 5.136452 4.595672 5.771565 4.199730 2.129280 5.166879 5.489690 5.027501 5.739171 3.732867 1.086185 7.141794 4.531686 4.569771 5.592769 6.108365 6.620438 5.819647 4.073970 5.282465 5.760988 6.265648 4.392418 5.553989 5.882116 6.649838 2.694082 4.271703 4.346411 0.000000 2.364330 6.267144 3.252259 2.691722 4.161550 2.492828 2.763715 4.977117 3.129156 5.021306 3.271095 2.211072 3.516371 3.799446 3.917744 3.967835 3.087842 1.084981 7.254540 4.461611 4.735090 5.182392 5.130212 6.028836 4.959831 3.511141 4.310992 4.202878 4.615932 3.638258 4.394741 4.835467 4.860082 2.356108 3.359096 4.040438 1.794583 0.000000 6.781115 2.086106 5.436587 5.094588 4.072640 6.026564 7.189550 2.660964 6.067204 4.471322 7.614351 5.631056 8.226380 7.287094 5.158878 8.276034 8.733401 6.883109 1.099904 4.496021 2.998522 2.487563 4.489176 4.085766 5.540545 6.852664 8.141686 9.152238 7.608740 4.713019 5.895398 4.505749 9.233010 8.482690 9.540055 9.234184 7.545501 7.485530 0.000000 6.366325 2.084528 4.526123 4.957548 4.026608 6.187535 7.298124 2.654929 6.508674 4.906959 7.470343 5.078733 8.511296 7.858871 5.729612 8.761620 8.363334 6.359346 1.098915 4.089701 2.426428 3.073828 5.236887 4.611421 5.870551 6.584613 8.115857 9.395191 8.325175 5.006201 6.526722 5.375462 9.796375 7.970928 9.273424 8.747888 6.795544 7.150282 1.786080 0.000000 7.753157 2.026286 5.639878 5.679720 4.404410 6.781676 7.746525 3.280436 7.141196 4.784602 7.836096 6.107652 8.905214 8.396219 6.495989 9.199961 8.926472 7.526877 1.090584 4.415391 3.598438 3.633465 5.152735 4.120499 5.717103 6.919035 8.269728 9.715596 8.877031 6.009571 7.361914 5.902317 10.194686 8.735790 9.846975 9.227043 8.031300 8.181865 1.783240 1.783270 0.000000 C15H22ClNO2 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 0 261.61899999999986 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;4;2;3;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4756,3.2263,.5988;3.8471,-1.0548,-.2306;1.2183,1.4984,-1.8127;.3157,.0005,-.35;1.4927,-.8971,-.5383;-.8685,-.4681,.3263;-1.8749,-1.0979,-.4299;2.7115,-.3157,.1887;-.993,-.3013,1.7162;1.2172,-2.3312,-.0979;-1.7505,-1.3257,-1.9238;.3186,1.1816,-1.0495;-3.0306,-1.5277,.2276;-2.1684,-.7407,2.3326;.1101,.2939,2.5539;-3.1824,-1.345,1.5974;-2.6075,-.3674,-2.769;-.846,2.1435,-.8154;5.058,-.5595,.309;1.7327,-.8818,-1.6051;2.8262,.743,-.0694;2.583,-.4024,1.2773;.9596,-2.3838,.9629;2.1255,-2.9124,-.2597;.4062,-2.7863,-.6678;-.709,-1.2449,-2.2376;-2.06,-2.3542,-2.1366;-3.8135,-2.0158,-.3439;-2.284,-.6066,3.4028;.6836,1.0391,2.0066;-.2986,.7674,3.4484;.8025,-.4891,2.882;-4.0863,-1.6803,2.0936;-2.2697,.6665,-2.6699;-3.6571,-.4065,-2.4663;-2.548,-.6325,-3.8277;-.9277,2.7859,-1.6875;-1.7902,1.6599,-.588;5.0586,-.6081,1.4078;5.2373,.4807,.0032;5.863,-1.1874,-.0745; 0.4033974 0.2651659 0.2413549 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= 558 RedAO= T EigKep= 2.67D-06 NBF= 558 NBsUse= 555 1.00D-06 EigRej= 9.31D-07 NBFU= 555 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= 576 576 576 576 576 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1250.54005671191 -1250.54005671 1 1.245967243495e+03 -6.329215384200e+03 2.134561222156e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3774191901 LenY= 3773858395 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 4.7442 261.34 0.0042 0.000 72 77 -0.24837 72 79 0.12282 74 77 0.18095 75 77 -0.35002 75 79 0.12168 76 77 0.43638 76 78 -0.12078 76 79 -0.13079 -1250.36571097 2 Singlet-A 5.0974 243.23 0.0027 0.000 72 77 -0.23035 73 77 0.13836 75 77 0.12482 75 78 0.43859 75 79 0.11550 76 77 -0.11232 76 78 0.22615 76 79 -0.33432 3 Singlet-A 5.2963 234.10 0.0095 0.000 74 77 -0.11337 74 78 -0.16033 75 77 0.44208 75 78 -0.14982 76 77 0.43559 76 78 0.14906 76 79 -0.10404 4 Singlet-A 5.3414 232.12 0.0044 0.000 73 78 0.18990 74 77 0.19465 74 78 0.52350 75 77 0.24852 76 77 0.10193 76 78 -0.22044 5 Singlet-A 5.4224 228.65 0.0298 0.000 73 77 0.13415 74 77 0.55091 74 78 -0.19919 74 79 0.24548 75 77 0.14877 76 77 -0.12630 6 Singlet-A 5.5275 224.30 0.0048 0.000 72 77 -0.18740 73 77 0.57974 73 78 -0.10181 73 79 -0.12053 74 77 -0.19450 75 79 -0.11313 76 79 0.16479 7 Singlet-A 5.5593 223.02 0.0218 0.000 72 78 -0.13260 73 77 0.11275 73 78 0.11621 74 78 0.24678 75 77 -0.10579 75 78 -0.23398 75 79 0.24060 76 78 0.49377 8 Singlet-A 5.6205 220.59 0.0055 0.000 72 77 0.46542 72 79 -0.13720 73 77 0.25236 73 79 0.11706 74 79 0.21645 75 77 -0.13484 75 78 0.11405 76 77 0.16377 76 78 -0.10885 76 79 -0.22017 9 Singlet-A 5.7292 216.41 0.0169 0.000 72 77 -0.23296 72 79 0.17455 73 77 -0.13132 73 78 0.15438 74 77 -0.19657 74 79 0.48004 75 78 -0.11446 76 79 -0.23202 10 Singlet-A 5.7964 213.90 0.0143 0.000 72 78 -0.10677 73 78 0.49588 74 78 -0.20535 74 79 -0.13196 75 79 -0.36814 PT31587.400S 2022-11-12T04:22:08.000 -101.54792 -19.12850 -19.10098 -14.35732 -10.28691 -10.24126 -10.22468 -10.21911 -10.21626 -10.21368 -10.20017 -10.19909 -10.18909 -10.18726 -10.18560 -10.18463 -10.17520 -10.17421 -10.16643 -9.46226 -7.22710 -7.21696 -7.21667 -1.05613 -1.04019 -0.95798 -0.87219 -0.86117 -0.81132 -0.79555 -0.77492 -0.74294 -0.71686 -0.70965 -0.70066 -0.65838 -0.65369 -0.62488 -0.60986 -0.58844 -0.56197 -0.52445 -0.51694 -0.50558 -0.49033 -0.48724 -0.47806 -0.46328 -0.45747 -0.45294 -0.44665 -0.44374 -0.43401 -0.43018 -0.42558 -0.42084 -0.41173 -0.40327 -0.40205 -0.39418 -0.39109 -0.38315 -0.37038 -0.36225 -0.36102 -0.35470 -0.35163 -0.34876 -0.32811 -0.31650 -0.30681 -0.27787 -0.26547 -0.26431 -0.25881 -0.25685 -0.03971 -0.03218 -0.02667 -0.00465 0.00479 0.00859 0.01050 0.01830 0.02357 0.02867 0.03246 0.03908 0.03995 0.04614 0.04921 0.05258 0.05550 0.05594 0.06347 0.06711 0.07071 0.07611 0.08051 0.08417 0.08719 0.08824 0.09259 0.09530 0.09936 0.10300 0.10757 0.11376 0.11532 0.11882 0.12327 0.12539 0.12784 0.13210 0.13272 0.13706 0.14200 0.14458 0.14822 0.14921 0.15181 0.16025 0.16149 0.16489 0.16972 0.17270 0.17510 0.17673 0.18005 0.18314 0.18670 0.18860 0.19113 0.19464 0.19770 0.19964 0.20441 0.20800 0.21045 0.21319 0.21498 0.21660 0.22005 0.22256 0.22728 0.22908 0.23730 0.23856 0.23977 0.24080 0.24521 0.24832 0.25257 0.25513 0.25826 0.26038 0.26262 0.26808 0.27209 0.27474 0.28153 0.28415 0.28859 0.28960 0.29531 0.29759 0.29882 0.30547 0.31373 0.31598 0.31777 0.32606 0.33444 0.33858 0.34188 0.34629 0.35093 0.36214 0.37394 0.37521 0.38162 0.38304 0.39201 0.39525 0.39635 0.40344 0.41027 0.41421 0.42768 0.43212 0.43451 0.43790 0.44561 0.45632 0.46691 0.47099 0.47643 0.48145 0.49414 0.50128 0.51108 0.51283 0.51699 0.52286 0.52486 0.53860 0.53991 0.54527 0.55100 0.55390 0.55913 0.56705 0.57812 0.58157 0.58414 0.59181 0.60332 0.60559 0.61180 0.61631 0.62026 0.63639 0.64154 0.64799 0.65347 0.65711 0.66136 0.66765 0.67065 0.67889 0.68353 0.68999 0.69749 0.69960 0.70191 0.70299 0.70622 0.71324 0.71968 0.72509 0.73267 0.73549 0.73977 0.74497 0.75041 0.75718 0.76173 0.76754 0.76869 0.77815 0.78207 0.78585 0.79272 0.79563 0.81076 0.82667 0.83793 0.84001 0.84649 0.85274 0.86759 0.88176 0.88868 0.90695 0.91868 0.92925 0.93726 0.95204 0.95266 0.95354 0.96505 0.97205 0.99454 1.00030 1.00651 1.01480 1.02276 1.02534 1.03934 1.05311 1.06189 1.06792 1.08054 1.08523 1.10195 1.11210 1.12287 1.13021 1.13779 1.14421 1.15776 1.17641 1.20305 1.21266 1.21953 1.23935 1.24047 1.26526 1.27682 1.28231 1.28720 1.30185 1.30542 1.31772 1.33905 1.34829 1.36343 1.36536 1.40016 1.40771 1.42035 1.42580 1.44111 1.44500 1.47115 1.47804 1.48490 1.48740 1.49466 1.50269 1.51503 1.52209 1.52794 1.53652 1.54022 1.55342 1.56011 1.56387 1.56751 1.57283 1.58450 1.58656 1.58852 1.59383 1.60258 1.60936 1.61132 1.62369 1.62708 1.63958 1.64255 1.65645 1.66160 1.66517 1.66867 1.67432 1.68545 1.69001 1.69714 1.70669 1.72082 1.73546 1.73989 1.74368 1.75067 1.75314 1.77074 1.77363 1.79691 1.80556 1.80972 1.81526 1.83418 1.83727 1.84897 1.85969 1.86312 1.86787 1.88894 1.89572 1.89622 1.91212 1.92031 1.92779 1.94297 1.95233 1.95948 1.96988 1.99046 2.00367 2.00763 2.02782 2.04697 2.04948 2.07554 2.07758 2.10473 2.11635 2.11772 2.12296 2.12860 2.14414 2.15985 2.16781 2.19167 2.19579 2.20695 2.21423 2.21620 2.23134 2.24573 2.27144 2.28224 2.29985 2.30857 2.31845 2.33007 2.34937 2.35948 2.37357 2.38815 2.40004 2.40566 2.41933 2.43456 2.43868 2.47234 2.47343 2.48705 2.48810 2.49192 2.50017 2.50949 2.51944 2.53300 2.54009 2.54622 2.55291 2.56065 2.56865 2.57774 2.58432 2.58923 2.60869 2.61843 2.62290 2.63103 2.63828 2.64545 2.65683 2.66721 2.68391 2.69554 2.70463 2.70831 2.71489 2.72811 2.73551 2.74747 2.76192 2.77514 2.78233 2.79581 2.80093 2.80986 2.82773 2.84078 2.85122 2.85752 2.86101 2.87805 2.89533 2.89926 2.92211 2.93402 2.95207 2.96021 2.96670 2.97685 2.99485 3.01638 3.02633 3.03395 3.04882 3.06200 3.08293 3.11892 3.16028 3.16610 3.18879 3.22045 3.22377 3.23781 3.25627 3.26263 3.28822 3.29932 3.33657 3.37947 3.39379 3.43305 3.44042 3.46830 3.48845 3.57356 3.60675 3.66958 3.69373 3.77257 3.78886 3.79168 3.79705 3.80290 3.80616 3.81945 3.82527 3.82887 3.84182 3.85164 3.86127 3.90370 3.99922 4.02825 4.08507 4.10047 4.11174 4.13881 4.16621 4.19388 4.21388 4.31068 4.33535 4.37305 4.85106 4.89212 5.01443 5.07633 5.15824 5.27379 5.41003 5.70247 5.81369 9.83138 23.62053 23.82318 23.83180 23.88113 23.88954 23.91545 23.93360 23.93568 23.96001 23.99607 24.01102 24.02112 24.08708 24.09398 24.18016 25.97772 26.11536 26.57000 35.62222 49.95067 50.05155 215.83486 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 Cl O O N 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 0.074663 -0.173752 -0.239113 0.347738 -0.377951 0.135214 0.251822 -0.076426 0.048373 -0.446460 -0.222392 0.173560 -0.481445 -0.296426 -0.478225 -0.118651 -0.565464 -0.800031 -0.221045 0.202022 0.165096 0.123688 0.166365 0.175912 0.142112 0.161035 0.151296 0.122480 0.122014 0.163554 0.152190 0.172924 0.127805 0.143830 0.141727 0.149524 0.238330 0.241304 0.124009 0.132106 0.146687 -0.00000 -2.1600 -2.4753 1.6800 3.6898 -115.5450 -132.1327 -121.3227 1.7456 8.6535 2.0856 7.4551 -9.1325 1.6774 1.7456 8.6535 2.0856 44.8979 -2.8432 14.9471 -2.7637 -6.4285 15.9885 -14.1552 -3.5320 -8.7505 7.7229 -3513.2292 -2034.6523 -1606.8266 49.4008 19.8464 -19.5963 12.2235 -7.6764 29.7074 -977.0860 -912.2793 -600.5969 -12.0037 30.0812 -12.0833 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS19 APULGAR 2022-11-12T00:00:00.000 0 Electronic spectrum metolachlorCONF57 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1250.5400567 RMSD=4.318e-09 PG=C01 [X(C15H22Cl1N1O2)] 0 1.3530797496 2.8284525626 0.9018493412 0 -3.8316623638 0.2845792916 -1.1834557384 0 -1.4412412316 1.1346560295 1.8980793952 0 -0.4393871777 -0.0455417783 0.2243864134 0 -1.7765122132 -0.4894651614 -0.2670093157 0 0.76869797 -0.6594401048 -0.268686461 0 1.2633635639 -1.8021531015 0.3876816164 0 -2.4848981707 0.6749515874 -0.9699532523 0 1.4197473297 -0.120495974 -1.391547793 0 -1.6954249825 -1.7152764972 -1.171054561 0 0.5610865585 -2.4275841539 1.5771823633 0 -0.4246914075 0.7808717963 1.3203048425 0 2.4477181698 -2.3776990345 -0.079991456 0 2.6048780558 -0.7242065152 -1.8221379607 0 0.8589329211 1.0506864907 -2.1574978976 0 3.1198895495 -1.8403895178 -1.1719685398 0 1.2504536284 -2.142134732 2.9227124136 0 0.9322903231 1.3002690909 1.7946429842 0 -4.6199957557 1.3116386685 -1.7548329797 0 -2.3742083738 -0.7263213919 0.6175797309 0 -2.4403863748 1.57016538 -0.3395388411 0 -1.9964731233 0.8942396658 -1.9303673249 0 -1.0924923411 -1.5194474417 -2.0613398172 0 -2.7079022656 -1.964433338 -1.4902972871 0 -1.2706157221 -2.5774529406 -0.655504443 0 -0.4756888891 -2.0927020275 1.6285882049 0 0.5301563772 -3.5109488585 1.4211399322 0 2.8390344424 -3.25971919 0.4166058146 0 3.1253123254 -0.3110443856 -2.6794900425 0 0.3129387079 1.7374156888 -1.5141510463 0 1.6587014136 1.6071697202 -2.6495941565 0 0.1723093174 0.7013805526 -2.9364100147 0 4.0398443449 -2.295478488 -1.5216082691 0 1.2161362278 -1.0798504374 3.1738694367 0 2.3000920549 -2.4464235132 2.9000129537 0 0.7550450554 -2.6870336763 3.7303180317 0 0.8386214969 1.5670964429 2.8433696738 0 1.7582636591 0.6160908751 1.6307795279 0 -4.2359917199 1.6125975424 -2.7406082229 0 -4.6553068598 2.1979226782 -1.1060901144 0 -5.6294174636 0.9160091294 -1.8728093577 Gaussian 16 12-Nov-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C15H22ClNO2)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=checkguess=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 0 261.61899999999986 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;4;2;3;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3531,2.8285,.9018;-3.8317,.2846,-1.1835;-1.4412,1.1347,1.8981;-.4394,-.0455,.2244;-1.7765,-.4895,-.267;.7687,-.6594,-.2687;1.2634,-1.8022,.3877;-2.4849,.675,-.97;1.4197,-.1205,-1.3915;-1.6954,-1.7153,-1.1711;.5611,-2.4276,1.5772;-.4247,.7809,1.3203;2.4477,-2.3777,-.08;2.6049,-.7242,-1.8221;.8589,1.0507,-2.1575;3.1199,-1.8404,-1.172;1.2505,-2.1421,2.9227;.9323,1.3003,1.7946;-4.62,1.3116,-1.7548;-2.3742,-.7263,.6176;-2.4404,1.5702,-.3395;-1.9965,.8942,-1.9304;-1.0925,-1.5194,-2.0613;-2.7079,-1.9644,-1.4903;-1.2706,-2.5775,-.6555;-.4757,-2.0927,1.6286;.5302,-3.5109,1.4211;2.839,-3.2597,.4166;3.1253,-.311,-2.6795;.3129,1.7374,-1.5142;1.6587,1.6072,-2.6496;.1723,.7014,-2.9364;4.0398,-2.2955,-1.5216;1.2161,-1.0798,3.1739;2.3001,-2.4464,2.9;.755,-2.687,3.7303;.8386,1.5671,2.8434;1.7583,.6161,1.6308;-4.236,1.6126,-2.7406;-4.6553,2.1979,-1.1061;-5.6294,.916,-1.8728; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/metolach #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point metolachlor CONF57 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 35 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 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 1061 A 947 A 947 1361 1061 76 76 1698.1996205194 41 41 41 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 -0.0527586822 0.000000 6.140142 0.000000 3.416087 3.991566 0.000000 3.454235 3.687619 2.279874 0.000000 4.708413 2.379635 2.727230 1.492126 0.000000 3.725191 4.784484 3.577357 1.442034 2.550880 0.000000 4.659928 5.725575 4.268611 2.451879 3.375295 1.407589 0.000000 4.782393 1.418361 3.086448 2.475818 1.533560 3.585842 4.693473 0.000000 3.736364 5.271119 4.536773 2.464395 3.408343 1.405398 2.453178 4.007086 0.000000 5.851135 2.926275 4.195987 2.512549 1.525282 2.828597 3.345390 2.525252 3.506600 0.000000 5.358101 5.854331 4.099006 2.916356 3.552705 2.564501 1.516334 5.039013 3.856593 3.626573 0.000000 2.743750 4.257062 1.221622 1.372666 2.441463 2.454296 3.223559 3.082362 3.401259 3.748652 3.366294 0.000000 5.409830 6.909123 5.601197 3.723840 4.630823 2.409798 1.397379 5.868681 2.805685 4.335304 2.511592 4.493121 0.000000 4.648494 6.546344 5.802281 3.730469 4.655116 2.406027 2.800881 5.346932 1.398002 4.460800 4.316707 4.617196 2.407034 0.000000 3.572707 4.851532 4.663213 2.925872 3.590485 2.549565 3.844502 3.568283 1.507601 3.892090 5.112232 3.716935 4.312088 2.512178 0.000000 5.405592 7.269092 6.251400 4.223711 5.159331 2.781845 2.425007 6.146657 2.428319 4.816940 3.801329 5.064237 1.390298 1.390619 3.800199 0.000000 5.366671 6.969753 4.362620 3.812116 4.697676 3.551830 2.557760 6.086187 4.767444 5.061555 1.538558 3.730655 3.241167 5.134062 6.012980 4.511347 0.000000 1.819200 5.709286 2.381550 2.481615 3.845929 2.850360 3.422597 4.439729 3.522499 4.979334 3.752595 1.528453 4.397525 4.469581 3.960693 4.842531 3.636470 0.000000 6.710910 1.415200 4.845572 4.820450 3.680081 5.927209 6.992852 2.362213 6.217836 4.249250 7.206090 5.228648 8.146710 7.506530 5.499900 8.377400 8.262576 6.589901 0.000000 5.158479 2.527810 2.444043 2.088443 1.093544 3.266160 3.800289 2.120396 4.335633 2.153600 3.525775 2.562434 5.144378 5.544685 4.616494 5.884619 4.522868 4.052836 3.850349 0.000000 4.185059 2.073783 2.488955 2.632968 2.165195 3.908246 5.061536 1.095815 4.343465 3.469944 5.353939 2.727836 6.288606 5.737328 3.802676 6.575826 6.168124 4.000316 2.611626 2.488836 0.000000 4.793969 2.073037 3.875963 2.819693 2.174806 3.580681 4.823942 1.099564 3.604244 2.734367 5.466126 3.612509 5.820680 4.878885 2.868694 5.850686 6.581374 4.755861 2.662312 3.043179 1.784564 0.000000 5.802202 3.395327 4.779424 2.797050 2.179075 2.723463 3.409939 2.818742 2.952462 1.092925 4.098522 4.144025 4.146737 3.789482 3.228451 4.317192 5.542374 5.188367 4.533462 3.073834 3.785119 2.580740 0.000000 6.722031 2.532794 4.763390 3.430517 2.130599 3.909231 4.395918 2.699415 4.521874 1.090461 4.506687 4.544143 5.360986 5.465704 4.717883 5.837797 5.930836 5.890680 3.802463 2.467269 3.726821 2.978557 1.770212 0.000000 6.207491 3.876715 4.508842 2.806372 2.183244 2.826164 2.847873 3.485899 3.717049 1.090689 2.891796 3.987199 3.767907 4.451405 4.467030 4.481800 4.398742 5.088491 5.248991 2.503068 4.320988 3.768925 1.768467 1.771571 0.000000 5.300029 4.982130 3.379461 2.482733 2.802820 2.683727 2.156055 4.295259 4.074739 3.077045 1.090730 2.890513 3.398055 4.823918 5.098682 4.564533 2.157955 3.677259 6.341321 2.548237 4.598930 4.888841 3.784790 3.837535 2.466571 0.000000 6.413648 6.341563 5.069075 3.792266 4.159319 3.323179 2.127349 5.685916 4.494191 3.859679 1.094982 4.397912 2.686018 4.752815 5.807173 4.027617 2.155737 4.842420 7.737456 4.103071 6.143438 6.084582 4.327439 4.620952 2.902869 1.751052 0.000000 6.285647 7.721428 6.310789 4.595208 5.426316 3.393725 2.146643 6.763759 3.890825 5.046513 2.688575 5.272092 1.085217 3.390520 5.396889 2.148708 3.170671 5.131097 9.013855 5.799689 7.195264 6.793069 4.962425 6.006875 4.301643 3.717287 2.530439 0.000000 5.081657 7.140895 6.625527 4.605439 5.466240 3.389245 3.885589 5.947198 2.145706 5.242781 5.401320 5.458312 3.389334 1.084715 2.695044 2.147451 6.184873 5.236749 7.967301 6.425562 6.323869 5.314751 4.430827 6.178533 5.343904 5.890760 5.812864 4.285143 0.000000 2.847686 4.404295 3.883785 2.601431 3.298510 2.739309 4.129022 3.041853 2.166078 4.009030 5.192797 3.081106 4.852656 3.377488 1.087935 4.560346 5.967881 3.394527 4.957122 4.223155 2.998080 2.493505 3.589124 4.778047 4.675790 5.016826 6.017346 5.922866 3.669285 0.000000 3.767982 5.834630 5.523970 3.923416 4.676888 3.405635 4.583101 4.567236 2.150490 4.947211 5.945556 4.558881 4.806723 2.648632 1.091541 4.025433 6.728637 4.513658 6.349014 5.690691 4.705342 3.792869 4.206049 5.759127 5.483462 6.045454 6.636236 5.872084 2.414826 1.765580 0.000000 4.544325 4.390713 5.115033 3.304951 3.513078 3.053565 4.302054 3.305813 2.148996 3.527767 5.505823 4.299110 4.776750 3.031714 1.095523 4.273415 6.601310 4.828986 4.973402 4.599340 3.784799 2.398527 2.701397 4.182514 4.246800 5.391290 6.071245 5.834762 3.132290 1.765210 1.764109 0.000000 6.272680 8.290456 7.314532 5.307940 6.218175 3.866113 3.405525 7.190274 3.407693 5.775191 4.660656 6.121477 2.149392 2.149033 4.660405 1.084284 5.249400 5.795154 9.383950 6.941070 7.637662 6.839482 5.218660 6.755935 5.388008 5.509528 4.738675 2.475556 2.472860 5.491276 4.708806 5.093197 0.000000 4.522794 6.806484 3.686914 3.536948 4.598276 3.496875 2.878679 5.826513 4.669567 5.268711 2.189723 3.096822 3.713329 5.197613 5.752413 4.805102 1.092111 2.765466 8.004484 4.421558 5.721606 6.345953 5.738504 6.159141 4.805294 2.505202 3.074552 3.871451 6.204662 5.543491 6.428738 6.449641 5.612360 0.000000 5.719599 7.856940 5.274995 4.519730 5.520726 3.947041 2.793152 6.900417 4.960085 5.750854 2.185035 4.509474 2.984450 5.035637 6.315468 4.197663 1.093091 4.138892 9.147581 5.478808 7.007126 7.276886 6.081442 6.677361 5.040717 3.073532 2.540266 2.668187 6.030894 6.398291 6.902256 6.964191 4.753973 1.765639 0.000000 6.227236 7.349391 4.773477 4.549253 5.216964 4.483677 3.494942 6.625159 5.767361 5.565300 2.177367 4.384782 4.180824 6.172871 6.974792 5.508331 1.092964 4.435858 8.658367 4.829675 6.700616 7.241528 6.190311 6.306265 4.832261 2.507031 2.462055 3.956219 7.235270 6.875730 7.743388 7.501080 6.206928 1.762180 1.770443 0.000000 2.371748 6.298549 2.505664 3.330613 4.554429 3.827172 4.190782 5.136452 4.595672 5.771565 4.199730 2.129280 5.166879 5.489690 5.027501 5.739171 3.732867 1.086185 7.141794 4.531686 4.569771 5.592769 6.108365 6.620438 5.819647 4.073970 5.282465 5.760988 6.265648 4.392418 5.553989 5.882116 6.649838 2.694082 4.271703 4.346411 0.000000 2.364330 6.267144 3.252259 2.691722 4.161550 2.492828 2.763715 4.977117 3.129156 5.021306 3.271095 2.211072 3.516371 3.799446 3.917744 3.967835 3.087842 1.084981 7.254540 4.461611 4.735090 5.182392 5.130212 6.028836 4.959831 3.511141 4.310992 4.202878 4.615932 3.638258 4.394741 4.835467 4.860082 2.356108 3.359096 4.040438 1.794583 0.000000 6.781115 2.086106 5.436587 5.094588 4.072640 6.026564 7.189550 2.660964 6.067204 4.471322 7.614351 5.631056 8.226380 7.287094 5.158878 8.276034 8.733401 6.883109 1.099904 4.496021 2.998522 2.487563 4.489176 4.085766 5.540545 6.852664 8.141686 9.152238 7.608740 4.713019 5.895398 4.505749 9.233010 8.482690 9.540055 9.234184 7.545501 7.485530 0.000000 6.366325 2.084528 4.526123 4.957548 4.026608 6.187535 7.298124 2.654929 6.508674 4.906959 7.470343 5.078733 8.511296 7.858871 5.729612 8.761620 8.363334 6.359346 1.098915 4.089701 2.426428 3.073828 5.236887 4.611421 5.870551 6.584613 8.115857 9.395191 8.325175 5.006201 6.526722 5.375462 9.796375 7.970928 9.273424 8.747888 6.795544 7.150282 1.786080 0.000000 7.753157 2.026286 5.639878 5.679720 4.404410 6.781676 7.746525 3.280436 7.141196 4.784602 7.836096 6.107652 8.905214 8.396219 6.495989 9.199961 8.926472 7.526877 1.090584 4.415391 3.598438 3.633465 5.152735 4.120499 5.717103 6.919035 8.269728 9.715596 8.877031 6.009571 7.361914 5.902317 10.194686 8.735790 9.846975 9.227043 8.031300 8.181865 1.783240 1.783270 0.000000 C15H22ClNO2 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 0 261.61899999999986 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;4;2;3;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4756,3.2263,.5988;3.8471,-1.0548,-.2306;1.2183,1.4984,-1.8127;.3157,.0005,-.35;1.4927,-.8971,-.5383;-.8685,-.4681,.3263;-1.8749,-1.0979,-.4299;2.7115,-.3157,.1887;-.993,-.3013,1.7162;1.2172,-2.3312,-.0979;-1.7505,-1.3257,-1.9238;.3186,1.1816,-1.0495;-3.0306,-1.5277,.2276;-2.1684,-.7407,2.3326;.1101,.2939,2.5539;-3.1824,-1.345,1.5974;-2.6075,-.3674,-2.769;-.846,2.1435,-.8154;5.058,-.5595,.309;1.7327,-.8818,-1.6051;2.8262,.743,-.0694;2.583,-.4024,1.2773;.9596,-2.3838,.9629;2.1255,-2.9124,-.2597;.4062,-2.7863,-.6678;-.709,-1.2449,-2.2376;-2.06,-2.3542,-2.1366;-3.8135,-2.0158,-.3439;-2.284,-.6066,3.4028;.6836,1.0391,2.0066;-.2986,.7674,3.4484;.8025,-.4891,2.882;-4.0863,-1.6803,2.0936;-2.2697,.6665,-2.6699;-3.6571,-.4065,-2.4663;-2.548,-.6325,-3.8277;-.9277,2.7859,-1.6875;-1.7902,1.6599,-.588;5.0586,-.6081,1.4078;5.2373,.4807,.0032;5.863,-1.1874,-.0745; 0.4033974 0.2651659 0.2413549 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= 947 RedAO= T EigKep= 1.44D-06 NBF= 947 NBsUse= 943 1.00D-06 EigRej= 7.46D-07 NBFU= 943 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= 1049 1049 1049 1049 1049 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1250.54560953861 -1250.59661212918 -0.051002590576 -1250.59647756605 0.000134563133 -1250.59686236994 -0.000384803893 -1250.59689568255 -0.000033312602 -1250.59690316959 -0.000007487049 -1250.59690385382 -0.000000684229 -1250.59690389639 -0.000000042571 -1250.59690389849 -0.000000002094 -1250.59690389896 -0.000000000470 -1250.59690389916 -0.000000000201 -1250.59690389902 0.000000000145 -1250.59690390 12 1.245761127725e+03 -6.329305757797e+03 2.134800864335e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3772595201 LenY= 3771468419 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. PT32850.699S 2022-11-12T04:56:23.000 -101.54698 -19.12918 -19.09959 -14.35588 -10.28377 -10.23888 -10.22285 -10.21757 -10.21448 -10.21152 -10.19862 -10.19753 -10.18741 -10.18578 -10.18402 -10.18307 -10.17380 -10.17250 -10.16547 -9.46141 -7.22554 -7.21646 -7.21621 -1.05214 -1.03788 -0.95539 -0.87024 -0.85890 -0.80990 -0.79411 -0.77340 -0.74143 -0.71524 -0.70856 -0.69921 -0.65719 -0.65254 -0.62306 -0.60855 -0.58703 -0.56044 -0.52304 -0.51543 -0.50409 -0.48907 -0.48619 -0.47674 -0.46235 -0.45643 -0.45158 -0.44564 -0.44275 -0.43328 -0.42889 -0.42477 -0.41951 -0.41072 -0.40235 -0.40099 -0.39339 -0.39049 -0.38239 -0.36941 -0.36160 -0.36032 -0.35398 -0.35066 -0.34769 -0.32847 -0.31653 -0.30690 -0.27732 -0.26566 -0.26367 -0.25838 -0.25638 -0.03970 -0.03207 -0.02683 -0.00562 0.00372 0.00748 0.00934 0.01735 0.02234 0.02742 0.03135 0.03760 0.03890 0.04490 0.04780 0.05122 0.05387 0.05469 0.06211 0.06546 0.06874 0.07390 0.07857 0.08276 0.08460 0.08670 0.09056 0.09253 0.09707 0.10074 0.10537 0.11112 0.11267 0.11632 0.12085 0.12286 0.12459 0.12878 0.12952 0.13342 0.13853 0.14128 0.14457 0.14623 0.14857 0.15632 0.15794 0.15970 0.16505 0.16809 0.17076 0.17193 0.17459 0.17771 0.18079 0.18231 0.18698 0.18899 0.19102 0.19389 0.19699 0.20195 0.20307 0.20594 0.20941 0.20988 0.21194 0.21489 0.21914 0.22276 0.22944 0.23097 0.23171 0.23350 0.23553 0.23854 0.24338 0.24571 0.24725 0.25218 0.25354 0.25635 0.26187 0.26497 0.26798 0.27344 0.27838 0.27996 0.28288 0.28483 0.28748 0.29292 0.29690 0.30070 0.30149 0.30829 0.31297 0.31978 0.32254 0.32610 0.32677 0.33049 0.33477 0.33827 0.34390 0.34803 0.34841 0.35253 0.35631 0.36236 0.36493 0.36922 0.37301 0.37621 0.37979 0.38338 0.38697 0.39269 0.39743 0.40071 0.40347 0.40453 0.40602 0.41357 0.41721 0.42289 0.42909 0.43309 0.43580 0.43894 0.44345 0.44648 0.45045 0.45733 0.45975 0.46379 0.46994 0.47442 0.47722 0.48239 0.48628 0.49491 0.49605 0.50028 0.50259 0.50954 0.51376 0.51710 0.52273 0.52480 0.53249 0.53621 0.54063 0.54495 0.54899 0.55458 0.55737 0.55874 0.56376 0.56917 0.57423 0.57866 0.58664 0.58750 0.59202 0.59375 0.59599 0.60067 0.61075 0.61277 0.61509 0.61637 0.62081 0.62496 0.63164 0.63288 0.63606 0.64004 0.64573 0.64893 0.65634 0.66074 0.66386 0.66837 0.67582 0.67681 0.68425 0.68637 0.69128 0.69265 0.69716 0.70709 0.70872 0.71111 0.71270 0.71807 0.72283 0.72381 0.73446 0.73600 0.73954 0.74549 0.75287 0.75581 0.75975 0.76363 0.76995 0.77511 0.78462 0.78704 0.79039 0.79844 0.80854 0.81288 0.81830 0.82487 0.83168 0.83456 0.83867 0.84216 0.84807 0.84934 0.85549 0.86495 0.87371 0.87867 0.88959 0.89556 0.89909 0.91501 0.91624 0.92149 0.92857 0.93400 0.94670 0.94706 0.95494 0.95560 0.97445 0.97949 0.98426 0.99071 0.99392 0.99590 1.00518 1.01653 1.02246 1.03067 1.03425 1.04222 1.05048 1.05504 1.06048 1.06280 1.07204 1.07371 1.07701 1.08260 1.08902 1.09567 1.10016 1.10340 1.11403 1.11899 1.12232 1.12695 1.12735 1.13366 1.13612 1.14452 1.14822 1.15653 1.16043 1.16204 1.16521 1.17121 1.17271 1.17747 1.18146 1.19135 1.19709 1.20249 1.20760 1.21049 1.21789 1.22025 1.22707 1.23039 1.23190 1.23429 1.23802 1.24122 1.25024 1.25234 1.26080 1.26325 1.27015 1.27300 1.27625 1.28529 1.28641 1.29112 1.29610 1.30114 1.30999 1.31323 1.31904 1.31978 1.32362 1.32993 1.33581 1.33993 1.34226 1.34472 1.34817 1.35467 1.36317 1.36400 1.36951 1.37640 1.37864 1.38279 1.39315 1.39691 1.40486 1.41688 1.42316 1.42664 1.42990 1.43727 1.44507 1.44761 1.45256 1.46143 1.46462 1.47258 1.47968 1.48243 1.48511 1.48816 1.49706 1.50038 1.50595 1.51620 1.51872 1.52326 1.53249 1.53479 1.54028 1.54577 1.55314 1.55761 1.56293 1.57429 1.57984 1.58719 1.59861 1.60600 1.60949 1.61498 1.62208 1.63040 1.63934 1.65479 1.66251 1.66809 1.67651 1.69245 1.69892 1.70062 1.70839 1.72332 1.73280 1.73711 1.74089 1.75179 1.75926 1.76685 1.78482 1.79882 1.80575 1.81567 1.82209 1.84473 1.84630 1.85511 1.86103 1.86954 1.87632 1.88763 1.91205 1.92425 1.93486 1.94180 1.95097 1.95812 1.96686 1.97227 1.98124 1.98745 1.99606 2.01000 2.02306 2.02461 2.03433 2.03707 2.04371 2.05256 2.06475 2.07459 2.07756 2.08129 2.09664 2.10377 2.11349 2.11784 2.12461 2.14246 2.15186 2.15543 2.16377 2.16947 2.18311 2.19365 2.19731 2.20352 2.21300 2.21677 2.22285 2.23352 2.24230 2.24555 2.25639 2.27092 2.27826 2.28587 2.29923 2.31454 2.32569 2.33790 2.34957 2.35700 2.38368 2.38820 2.40330 2.41343 2.42222 2.43687 2.44249 2.45452 2.47434 2.47976 2.49227 2.50489 2.50873 2.52057 2.53713 2.54518 2.55231 2.56130 2.59189 2.61052 2.63071 2.66731 2.67217 2.69397 2.73076 2.74383 2.74870 2.75477 2.76488 2.76798 2.77925 2.79533 2.79994 2.80760 2.81676 2.82199 2.83075 2.84093 2.85250 2.86108 2.86905 2.87046 2.88734 2.89340 2.89410 2.90519 2.91862 2.92074 2.93155 2.93350 2.94522 2.94964 2.96132 2.96678 2.97308 2.97889 2.98356 2.99049 3.00599 3.01255 3.01549 3.02440 3.03414 3.03546 3.04434 3.05417 3.06206 3.07986 3.08875 3.09151 3.09966 3.11305 3.12980 3.13916 3.14717 3.14887 3.15469 3.16286 3.17604 3.18305 3.18400 3.19478 3.20860 3.21888 3.22470 3.22943 3.24371 3.24973 3.25614 3.26124 3.27015 3.28080 3.29687 3.30049 3.30339 3.31417 3.31679 3.32409 3.33311 3.34117 3.34956 3.36051 3.36546 3.37686 3.37889 3.38698 3.39551 3.39883 3.40573 3.41055 3.42512 3.43525 3.44176 3.45607 3.46060 3.46833 3.48165 3.49019 3.49701 3.50392 3.50685 3.51831 3.53067 3.53691 3.54510 3.55557 3.55984 3.57185 3.57904 3.59229 3.60523 3.60963 3.61444 3.63346 3.63803 3.65462 3.66854 3.67607 3.68845 3.70063 3.70699 3.71293 3.72258 3.74426 3.75086 3.76782 3.78285 3.79134 3.80551 3.81296 3.82123 3.82903 3.84269 3.85435 3.86711 3.87710 3.89227 3.89987 3.91337 3.92688 3.93588 3.93969 3.96035 3.96519 3.97625 3.98054 4.00660 4.01698 4.02898 4.03954 4.06227 4.07098 4.08466 4.11380 4.14899 4.15816 4.16873 4.18166 4.19879 4.21250 4.22373 4.22985 4.24417 4.25256 4.25636 4.27310 4.27581 4.27761 4.30268 4.30752 4.32179 4.33637 4.34027 4.34261 4.35810 4.36479 4.37404 4.37749 4.38221 4.38685 4.39288 4.40180 4.41367 4.41946 4.42721 4.43169 4.44886 4.45136 4.45848 4.47325 4.48072 4.49150 4.49632 4.50852 4.51368 4.52185 4.53045 4.53671 4.54929 4.56173 4.56307 4.57174 4.57557 4.59369 4.61002 4.61721 4.62616 4.63488 4.64399 4.64976 4.65792 4.67951 4.69250 4.69541 4.72413 4.72791 4.73306 4.74012 4.74597 4.76218 4.76857 4.77858 4.82351 4.84359 4.84577 4.85729 4.87521 4.89951 4.92897 4.93640 4.96723 4.99052 5.01726 5.02375 5.06572 5.10624 5.14415 5.17168 5.20573 5.21496 5.23619 5.25331 5.27048 5.28198 5.31603 5.32934 5.35912 5.41996 5.43125 5.44548 5.46031 5.47431 5.48534 5.50955 5.53543 5.55024 5.56664 5.61067 5.63639 5.64480 5.69742 5.70434 5.73247 5.74939 5.75674 5.77354 5.78389 5.80115 5.81756 5.81857 5.83820 5.84303 5.85946 5.86214 5.86690 5.87943 5.88462 5.92431 5.92847 5.94008 5.96463 5.99596 6.09647 6.13464 6.17009 6.21601 6.33575 6.46654 6.57465 6.63793 6.71357 6.97219 7.11033 7.14320 7.15715 7.18457 7.21005 7.21821 7.23984 7.25214 7.27953 7.28238 7.28965 7.30029 7.31578 7.32871 7.34382 7.37028 7.37826 7.39816 7.40140 7.40919 7.43402 7.44077 7.46804 7.47010 7.48494 7.51330 7.51808 7.53865 7.56198 7.58757 7.59639 7.64167 7.66636 7.67837 7.69921 7.72210 7.75590 7.76289 7.77325 7.81265 7.83572 7.86792 7.87332 7.88179 7.93317 7.93511 7.96000 7.97708 7.98743 7.99025 8.00498 8.01002 8.05634 8.07209 8.08302 8.09692 8.11724 8.18061 8.20850 8.24213 8.27625 8.29728 8.31476 8.34918 8.36544 8.38968 8.40003 8.45154 8.46160 8.49691 8.51362 8.66318 8.71143 8.83784 9.37976 10.07991 10.62851 10.72714 10.94997 11.30906 11.39795 14.44716 14.47404 14.49143 14.50702 14.57874 14.70781 14.85442 14.92256 15.11519 15.13137 24.19599 24.28912 24.32288 24.32837 24.35948 24.43833 24.44983 24.50239 24.54199 24.96865 24.97697 25.19075 25.36525 25.37359 25.76711 26.23315 26.42398 28.16640 36.21597 50.26074 50.50054 216.11832 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 Cl O O N 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 -0.482827 -0.592104 -0.750095 0.377815 -0.495993 0.326333 0.396233 0.144025 0.129473 -0.326420 -0.493729 0.990044 -0.256430 -0.382960 -0.629503 -0.285669 -0.594921 -0.469779 -0.109516 0.177039 0.155468 0.158976 0.177708 0.165187 0.163169 0.173448 0.140310 0.129497 0.128608 0.164192 0.130191 0.175404 0.134682 0.180997 0.153125 0.144372 0.187690 0.270930 0.126881 0.133748 0.134400 -0.00000 -2.1344 -2.4477 1.5878 3.6150 -115.8937 -131.4315 -121.2409 1.3970 8.3416 2.1006 6.9617 -8.5761 1.6145 1.3970 8.3416 2.1006 42.7993 -1.4430 13.8012 -2.2585 -6.2162 14.2764 -13.3860 -3.2663 -8.7165 7.6012 -3537.7206 -2024.7945 -1608.4827 43.5323 15.5103 -20.8149 11.4886 -7.4614 28.9363 -974.6577 -912.2743 -599.7010 -10.5616 29.0287 -12.5305 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS19 APULGAR 2022-11-12T00:00:00.000 0 Single Point metolachlor CONF57 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1250.5969039 RMSD=3.028e-09 Dipole=0.7651898,-0.9475318,-0.7344595 Quadrupole=-0.151255,-1.3950286,1.5462836,-3.8946795,4.0390227,-6.5391289 PG=C01 [X(C15H22Cl1N1O2)] 0 1.3530797496 2.8284525626 0.9018493412 0 -3.8316623638 0.2845792916 -1.1834557384 0 -1.4412412316 1.1346560295 1.8980793952 0 -0.4393871777 -0.0455417783 0.2243864134 0 -1.7765122132 -0.4894651614 -0.2670093157 0 0.76869797 -0.6594401048 -0.268686461 0 1.2633635639 -1.8021531015 0.3876816164 0 -2.4848981707 0.6749515874 -0.9699532523 0 1.4197473297 -0.120495974 -1.391547793 0 -1.6954249825 -1.7152764972 -1.171054561 0 0.5610865585 -2.4275841539 1.5771823633 0 -0.4246914075 0.7808717963 1.3203048425 0 2.4477181698 -2.3776990345 -0.079991456 0 2.6048780558 -0.7242065152 -1.8221379607 0 0.8589329211 1.0506864907 -2.1574978976 0 3.1198895495 -1.8403895178 -1.1719685398 0 1.2504536284 -2.142134732 2.9227124136 0 0.9322903231 1.3002690909 1.7946429842 0 -4.6199957557 1.3116386685 -1.7548329797 0 -2.3742083738 -0.7263213919 0.6175797309 0 -2.4403863748 1.57016538 -0.3395388411 0 -1.9964731233 0.8942396658 -1.9303673249 0 -1.0924923411 -1.5194474417 -2.0613398172 0 -2.7079022656 -1.964433338 -1.4902972871 0 -1.2706157221 -2.5774529406 -0.655504443 0 -0.4756888891 -2.0927020275 1.6285882049 0 0.5301563772 -3.5109488585 1.4211399322 0 2.8390344424 -3.25971919 0.4166058146 0 3.1253123254 -0.3110443856 -2.6794900425 0 0.3129387079 1.7374156888 -1.5141510463 0 1.6587014136 1.6071697202 -2.6495941565 0 0.1723093174 0.7013805526 -2.9364100147 0 4.0398443449 -2.295478488 -1.5216082691 0 1.2161362278 -1.0798504374 3.1738694367 0 2.3000920549 -2.4464235132 2.9000129537 0 0.7550450554 -2.6870336763 3.7303180317 0 0.8386214969 1.5670964429 2.8433696738 0 1.7582636591 0.6160908751 1.6307795279 0 -4.2359917199 1.6125975424 -2.7406082229 0 -4.6553068598 2.1979226782 -1.1060901144 0 -5.6294174636 0.9160091294 -1.8728093577