Gaussian 16 GINC-BELVIS17 PAULAPLA Optimization triticonazole_Z CONF1 gas EM64L-G16RevC.01 14-Aug-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 42 42 84 84 612 (5D, 7F) 6-311+G(d,p) 120 120 C1[X(C17H20ClN3O)] C1[X(C17H20ClN3O)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 297.6543999999998 0 1 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-2609352/Gau-30710.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2609352/" chk=/home/paulapla/almacen/ADAMA/censo_results/triticonazole_Z/gas/CONF1/opt-b3 #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization triticonazole_Z CONF1 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 2 2 3 3 3 4 5 5 6 6 6 6 7 7 8 8 8 9 9 10 10 11 11 12 12 12 13 13 13 14 14 15 15 16 17 17 18 18 19 20 20 21 21 22 7 35 4 11 16 19 16 19 7 8 12 13 9 11 10 23 24 10 14 25 26 27 28 29 30 31 32 33 34 15 36 17 18 37 20 38 21 39 40 22 41 22 42 1.7273 1.3922 0.9689 1.3363 1.4428 1.3363 1.3138 1.3104 1.3439 1.5523 1.5364 1.5317 1.5236 1.5194 1.5484 1.5415 1.0907 1.0934 1.5059 1.3329 1.0926 1.0941 1.0899 1.0912 1.0887 1.091 1.0915 1.0912 1.0916 1.0909 1.4621 1.0853 1.3962 1.3975 1.0791 1.3845 1.08 1.3826 1.0831 1.0785 1.3851 1.0812 1.3861 1.0812 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 7 4 4 11 3 16 7 7 7 8 8 12 2 2 2 6 6 9 6 6 6 10 10 23 7 7 10 8 8 8 9 9 25 3 3 3 7 7 27 6 6 6 29 29 30 6 6 6 32 32 33 9 9 15 14 14 17 3 3 5 15 15 20 15 15 21 4 4 5 17 17 22 18 18 22 1 1 20 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 35 11 16 16 19 19 8 12 13 12 13 13 6 9 11 9 11 11 10 23 24 23 24 24 10 14 14 9 25 26 25 26 26 7 27 28 27 28 28 29 30 31 30 31 31 32 33 34 33 34 34 15 36 36 17 18 18 5 37 37 20 38 38 21 39 39 5 40 40 22 41 41 22 42 42 20 21 21 109.2048 120.4231 109.2808 130.1286 103.0199 102.7425 102.2948 109.0703 113.9709 109.6796 112.6629 108.9534 110.2626 115.534 109.71 101.8634 110.7466 108.4851 106.0616 111.4426 110.6377 112.1873 110.6533 105.9405 107.9986 122.9905 128.7111 105.2419 112.1365 110.7698 110.4298 112.541 105.8553 111.372 107.1491 108.499 111.8582 109.989 107.8278 111.5773 112.4379 109.5591 107.476 107.9216 107.6875 110.2978 112.8545 111.1256 106.7102 107.4235 108.1838 128.3046 117.1866 114.4093 124.0589 118.4986 117.4397 110.4372 123.1342 126.4268 121.439 120.2118 118.321 121.8262 119.231 118.9409 114.513 121.9414 123.545 119.6006 120.2358 120.1605 119.2503 120.4821 120.2674 119.7749 119.7975 120.425 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 35 35 35 11 16 4 4 4 16 16 16 4 4 11 11 3 3 19 19 16 16 8 8 8 12 12 12 13 13 13 7 7 7 12 12 12 13 13 13 7 7 7 8 8 8 13 13 13 7 7 7 8 8 8 12 12 12 2 2 6 6 11 11 2 2 2 6 6 6 9 9 9 6 6 6 23 23 23 24 24 24 7 7 7 14 14 14 7 7 10 10 9 9 36 36 14 14 18 18 14 14 17 17 15 15 38 38 15 15 39 39 17 17 41 41 18 18 42 42 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 14 14 14 14 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 7 7 7 4 4 11 11 11 11 11 11 16 16 16 16 19 19 16 16 19 19 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 6 9 11 19 19 7 27 28 7 27 28 5 37 5 37 5 40 3 37 4 40 2 9 11 2 9 11 2 9 11 10 23 24 10 23 24 10 23 24 29 30 31 29 30 31 29 30 31 32 33 34 32 33 34 32 33 34 10 14 10 14 10 14 3 27 28 3 27 28 3 27 28 9 25 26 9 25 26 9 25 26 8 25 26 8 25 26 15 36 15 36 17 18 17 18 20 38 20 38 21 39 21 39 22 41 22 41 22 42 22 42 1 21 1 21 1 20 1 20 162.4189 -82.7961 40.1863 -176.2245 -0.4681 59.5081 -177.8652 -61.691 -115.2505 7.3762 123.5504 0.8244 -179.6327 176.0373 -4.4198 -0.0244 -179.7574 -0.7778 179.6979 0.5005 -179.7713 163.4849 40.3193 -74.8956 47.3797 -75.7859 168.9992 -74.6125 162.2219 47.007 -33.1036 -155.4662 86.9389 82.5601 -39.8025 -157.3974 -155.8964 81.7411 -35.8539 -67.2448 53.5987 173.3048 -178.5247 -57.6812 62.0249 57.7307 178.5742 -61.7197 176.3535 -64.3993 57.3299 -67.658 51.5893 173.3184 54.2969 173.5441 -64.7267 -153.2272 20.9794 -33.7197 140.4869 83.1449 -102.6484 -68.3786 171.7442 51.9466 169.6774 49.8002 -69.9974 58.6738 -61.2034 178.999 12.7599 -107.334 134.649 134.6477 14.5538 -103.4631 -107.2725 132.6336 14.6166 13.3635 134.5792 -107.3694 -160.4075 -39.1918 78.8596 -176.7581 -0.6156 -3.8251 172.3174 -26.2667 154.3563 157.5013 -21.8757 179.2759 -2.6908 -1.3411 176.6923 -179.0514 0.4487 1.5302 -178.9698 0.2556 179.6215 -177.8138 1.5521 -0.6221 179.5349 179.8764 0.0334 -179.8867 0.707 0.7468 -178.6594 -179.9332 -0.5271 -0.0899 179.3162 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 634 A 612 A 969 634 1945.3507662670 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 612 RedAO= T EigKep= 1.15D-06 NBF= 612 NBsUse= 609 1.00D-06 EigRej= 8.45D-07 NBFU= 609 Berny optimization. local minimum Step number 16 out of a maximum of 251 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00070 0.00329 0.00357 0.00448 0.00534 0.00672 0.00831 0.01203 0.01554 0.01782 0.01904 0.02141 0.02156 0.02216 0.02230 0.02264 0.02280 0.02288 0.02290 0.02299 0.02596 0.02624 0.02699 0.03039 0.03157 0.03376 0.04111 0.04369 0.04712 0.04974 0.05100 0.05348 0.05444 0.05491 0.05656 0.05707 0.05746 0.05841 0.06371 0.06937 0.07248 0.07499 0.08487 0.09359 0.09528 0.10294 0.11082 0.12734 0.14423 0.15290 0.15828 0.15989 0.15999 0.16000 0.16000 0.16000 0.16003 0.16010 0.16029 0.16032 0.16074 0.16103 0.16408 0.16942 0.20242 0.21111 0.21985 0.22924 0.23415 0.23754 0.24485 0.24886 0.25001 0.25831 0.26759 0.27505 0.28018 0.28211 0.29350 0.29722 0.30270 0.30804 0.31195 0.33965 0.34338 0.34451 0.34517 0.34626 0.34641 0.34663 0.34697 0.34709 0.34737 0.34801 0.34927 0.34987 0.35302 0.35517 0.35657 0.35848 0.35889 0.36127 0.36448 0.37246 0.39635 0.41794 0.42900 0.43299 0.45374 0.47221 0.47800 0.48162 0.49528 0.50684 0.53603 0.54037 0.57648 0.60276 0.64133 0.65583 -3.80204089e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 3.32424 2.67399 1.83575 2.56921 2.75097 2.54676 2.50530 2.49954 2.56438 2.95672 2.92123 2.91306 2.89465 2.89129 2.94298 2.93034 2.06341 2.06818 2.86130 2.52934 2.06757 2.06985 2.05937 2.05999 2.06032 2.06495 2.06693 2.06666 2.06657 2.06605 2.77063 2.05358 2.65707 2.65861 2.03911 2.62882 2.04090 2.62527 2.04977 2.03924 2.62870 2.04587 2.62980 2.04560 1.90188 2.10051 1.90468 2.27133 1.79411 1.79496 1.78259 1.89512 1.98710 1.91922 1.97286 1.90305 1.91720 2.01123 1.89718 1.79070 1.94383 1.90262 1.84991 1.94380 1.92453 1.96006 1.92845 1.85830 1.88766 2.13290 2.26000 1.84196 1.95317 1.93735 1.91874 1.96006 1.85456 1.94547 1.87004 1.88795 1.94779 1.90818 1.90287 1.93227 1.95169 1.91130 1.87764 1.89975 1.88988 1.92174 1.96469 1.92829 1.86977 1.88286 1.89377 2.26748 2.02383 1.99066 2.17461 2.06095 2.04757 1.92965 2.14465 2.20887 2.11947 2.10103 2.06240 2.12800 2.07948 2.07569 2.00118 2.12499 2.15700 2.08537 2.10424 2.09355 2.07786 2.10873 2.09659 2.08748 2.08779 2.10789 2.80208 -1.46970 0.67123 -3.04383 -0.01395 1.08380 -3.06375 -1.01458 -1.91959 0.21605 2.26522 0.02008 -3.12810 3.03551 -0.11267 0.00379 -3.13211 -0.01651 3.13197 0.00778 -3.13962 2.82999 0.68267 -1.35035 0.80279 -1.34452 2.90565 -1.32060 2.81527 0.78225 -0.59223 -2.72882 1.49529 1.41742 -0.71918 -2.77825 -2.73453 1.41206 -0.64701 -1.13818 0.95535 3.05019 -3.07519 -0.98165 1.11318 1.03585 3.12939 -1.05896 3.05973 -1.13848 0.98169 -1.19954 0.88544 3.00561 0.94073 3.02571 -1.13730 -2.61925 0.45136 -0.53644 2.53417 1.52591 -1.68666 -1.17908 3.01387 0.90735 2.98953 0.89929 -1.20723 1.02611 -1.06413 3.11254 0.27091 -1.81570 2.39873 2.39713 0.31052 -1.75824 -1.81404 2.38253 0.31377 0.17063 2.27986 -1.94247 -2.89312 -0.78389 1.27696 -3.10752 -0.02278 -0.05336 3.03138 -0.31853 2.83503 2.87904 -0.25059 3.13577 -0.03143 -0.01771 3.09828 -3.13111 0.00403 0.02157 -3.12647 0.00213 3.13588 -3.11441 0.01935 -0.00963 3.13502 3.13840 -0.00013 -3.13912 0.01062 0.01025 -3.12319 -3.14038 -0.00694 -0.00183 3.13162 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00001 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 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -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 -0.00001 -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 0.00002 0.00003 -0.00000 0.00003 -0.00001 -0.00002 -0.00001 0.00001 0.00000 -0.00002 0.00001 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00002 -0.00003 0.00001 -0.00001 0.00001 -0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00001 -0.00000 0.00002 -0.00002 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00001 0.00002 -0.00001 -0.00002 0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00002 0.00000 -0.00002 0.00001 -0.00001 -0.00000 -0.00000 0.00002 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00001 0.00009 0.00011 0.00012 0.00005 0.00003 -0.00004 -0.00001 -0.00003 -0.00002 0.00001 -0.00001 -0.00003 -0.00002 -0.00005 -0.00003 -0.00003 -0.00001 0.00001 -0.00001 0.00002 -0.00001 0.00003 -0.00000 -0.00002 0.00002 -0.00001 -0.00003 0.00001 -0.00001 -0.00003 -0.00003 -0.00004 -0.00003 -0.00001 -0.00003 -0.00001 -0.00001 -0.00002 -0.00001 -0.00003 -0.00002 -0.00002 -0.00003 -0.00003 -0.00003 -0.00003 -0.00002 -0.00002 0.00006 0.00006 0.00006 0.00005 0.00004 0.00004 0.00005 0.00005 0.00005 0.00002 0.00004 0.00003 0.00005 0.00003 0.00005 -0.00008 -0.00010 -0.00007 -0.00004 -0.00006 -0.00004 -0.00006 -0.00008 -0.00006 0.00004 0.00005 0.00005 0.00005 0.00006 0.00006 0.00005 0.00006 0.00005 -0.00005 -0.00006 -0.00006 -0.00007 -0.00008 -0.00009 -0.00004 0.00000 -0.00002 0.00003 0.00022 0.00021 0.00018 0.00017 -0.00000 0.00001 0.00001 0.00002 -0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00004 -0.00002 0.00000 -0.00000 0.00000 0.00002 0.00001 -0.00000 0.00001 0.00001 0.00000 -0.00001 0.00000 0.00001 0.00003 -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 -0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00002 -0.00002 -0.00002 -0.00001 -0.00001 0.00003 -0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00002 0.00002 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00001 -0.00001 0.00001 0.00000 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 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00003 -0.00001 -0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00010 0.00008 0.00008 -0.00003 -0.00019 -0.00004 -0.00003 -0.00003 0.00016 0.00017 0.00017 0.00015 0.00005 -0.00003 -0.00013 0.00017 0.00005 -0.00004 0.00007 -0.00009 0.00004 0.00004 0.00005 0.00006 0.00005 0.00006 0.00008 0.00004 0.00005 0.00006 -0.00004 -0.00003 -0.00004 -0.00006 -0.00005 -0.00006 -0.00007 -0.00005 -0.00006 0.00001 -0.00000 0.00000 0.00003 0.00002 0.00002 0.00004 0.00003 0.00004 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00002 -0.00001 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00003 -0.00001 -0.00000 -0.00001 -0.00003 -0.00003 -0.00003 -0.00001 -0.00001 -0.00001 0.00001 0.00003 0.00001 -0.00000 0.00001 -0.00000 0.00002 0.00003 0.00001 0.00002 0.00001 0.00002 0.00002 0.00001 0.00002 -0.00003 -0.00001 -0.00002 -0.00000 0.00000 0.00001 -0.00002 -0.00002 0.00001 0.00002 0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00001 0.00000 0.00002 -0.00001 0.00001 0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00002 -0.00001 0.00000 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 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00002 -0.00001 -0.00001 -0.00002 0.00000 0.00002 0.00000 -0.00001 0.00000 -0.00000 0.00002 -0.00003 -0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00001 0.00000 -0.00000 0.00002 -0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00001 0.00003 -0.00002 -0.00002 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00002 0.00000 -0.00003 0.00002 -0.00001 -0.00001 0.00001 0.00001 -0.00002 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00002 -0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00002 0.00020 0.00020 0.00020 0.00002 -0.00016 -0.00008 -0.00004 -0.00006 0.00014 0.00018 0.00017 0.00013 0.00003 -0.00007 -0.00017 0.00014 0.00004 -0.00004 0.00006 -0.00007 0.00004 0.00007 0.00005 0.00004 0.00007 0.00006 0.00005 0.00005 0.00003 0.00003 -0.00007 -0.00007 -0.00007 -0.00007 -0.00007 -0.00007 -0.00008 -0.00008 -0.00008 -0.00002 -0.00003 -0.00002 -0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00001 0.00006 0.00005 0.00006 0.00005 0.00004 0.00004 0.00004 0.00003 0.00003 -0.00002 0.00000 -0.00002 0.00001 -0.00001 0.00002 -0.00008 -0.00010 -0.00008 -0.00007 -0.00009 -0.00007 -0.00007 -0.00009 -0.00007 0.00006 0.00008 0.00006 0.00005 0.00007 0.00005 0.00007 0.00008 0.00007 -0.00003 -0.00004 -0.00004 -0.00006 -0.00007 -0.00007 -0.00007 -0.00000 -0.00004 0.00003 0.00022 0.00022 0.00016 0.00015 0.00001 0.00002 0.00001 0.00003 -0.00001 -0.00001 -0.00002 -0.00001 0.00000 0.00000 -0.00002 -0.00001 0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00000 0.00001 3.32422 2.67400 1.83575 2.56923 2.75096 2.54677 2.50531 2.49955 2.56439 2.95671 2.92124 2.91305 2.89464 2.89129 2.94300 2.93034 2.06341 2.06818 2.86132 2.52934 2.06757 2.06985 2.05937 2.05999 2.06032 2.06495 2.06694 2.06666 2.06657 2.06605 2.77063 2.05359 2.65708 2.65861 2.03911 2.62882 2.04090 2.62527 2.04977 2.03924 2.62871 2.04588 2.62981 2.04561 1.90187 2.10050 1.90468 2.27132 1.79410 1.79495 1.78257 1.89513 1.98712 1.91922 1.97285 1.90305 1.91719 2.01125 1.89716 1.79069 1.94384 1.90263 1.84989 1.94380 1.92453 1.96007 1.92846 1.85830 1.88766 2.13292 2.25999 1.84195 1.95316 1.93737 1.91873 1.96006 1.85457 1.94547 1.87004 1.88797 1.94782 1.90815 1.90285 1.93227 1.95169 1.91131 1.87763 1.89974 1.88988 1.92173 1.96470 1.92830 1.86977 1.88286 1.89376 2.26750 2.02383 1.99063 2.17463 2.06093 2.04756 1.92966 2.14466 2.20885 2.11947 2.10104 2.06239 2.12800 2.07949 2.07568 2.00119 2.12499 2.15699 2.08539 2.10423 2.09354 2.07787 2.10872 2.09660 2.08749 2.08780 2.10787 2.80227 -1.46950 0.67143 -3.04381 -0.01411 1.08372 -3.06379 -1.01464 -1.91945 0.21623 2.26538 0.02021 -3.12806 3.03543 -0.11284 0.00393 -3.13208 -0.01655 3.13203 0.00771 -3.13958 2.83006 0.68272 -1.35030 0.80287 -1.34447 2.90569 -1.32055 2.81530 0.78228 -0.59230 -2.72889 1.49523 1.41735 -0.71925 -2.77832 -2.73461 1.41198 -0.64708 -1.13820 0.95533 3.05017 -3.07519 -0.98166 1.11318 1.03586 3.12939 -1.05895 3.05979 -1.13842 0.98175 -1.19949 0.88548 3.00565 0.94077 3.02575 -1.13727 -2.61928 0.45136 -0.53646 2.53418 1.52591 -1.68664 -1.17916 3.01377 0.90727 2.98946 0.89920 -1.20730 1.02604 -1.06422 3.11247 0.27097 -1.81563 2.39879 2.39718 0.31058 -1.75819 -1.81397 2.38261 0.31384 0.17061 2.27982 -1.94251 -2.89318 -0.78397 1.27689 -3.10759 -0.02278 -0.05340 3.03141 -0.31831 2.83525 2.87920 -0.25044 3.13577 -0.03141 -0.01770 3.09831 -3.13112 0.00403 0.02156 -3.12648 0.00213 3.13589 -3.11442 0.01934 -0.00962 3.13503 3.13840 -0.00013 -3.13913 0.01061 0.01025 -3.12320 -3.14038 -0.00693 -0.00183 3.13162 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000013 0.000002 0.000877 0.000149 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.361726e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 2 2 3 3 3 4 5 5 6 6 6 6 7 7 8 8 8 9 9 10 10 11 11 12 12 12 13 13 13 14 14 15 15 16 17 17 18 18 19 20 20 21 21 22 7 35 4 11 16 19 16 19 7 8 12 13 9 11 10 23 24 10 14 25 26 27 28 29 30 31 32 33 34 15 36 17 18 37 20 38 21 39 40 22 41 22 42 1.7591 1.415 0.9714 1.3596 1.4558 1.3477 1.3257 1.3227 1.357 1.5646 1.5458 1.5415 1.5318 1.53 1.5574 1.5507 1.0919 1.0944 1.5141 1.3385 1.0941 1.0953 1.0898 1.0901 1.0903 1.0927 1.0938 1.0936 1.0936 1.0933 1.4662 1.0867 1.4061 1.4069 1.079 1.3911 1.08 1.3892 1.0847 1.0791 1.391 1.0826 1.3916 1.0825 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 7 4 4 11 3 16 7 7 7 8 8 12 2 2 2 6 6 9 6 6 6 10 10 23 7 7 10 8 8 8 9 9 25 3 3 3 7 7 27 6 6 6 29 29 30 6 6 6 32 32 33 9 9 15 14 14 17 3 3 5 15 15 20 15 15 21 4 4 5 17 17 22 18 18 22 1 1 20 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 35 11 16 16 19 19 8 12 13 12 13 13 6 9 11 9 11 11 10 23 24 23 24 24 10 14 14 9 25 26 25 26 26 7 27 28 27 28 28 29 30 31 30 31 31 32 33 34 33 34 34 15 36 36 17 18 18 5 37 37 20 38 38 21 39 39 5 40 40 22 41 41 22 42 42 20 21 21 108.9699 120.3501 109.1301 130.1379 102.7951 102.8438 102.1348 108.5826 113.8525 109.9633 113.0366 109.0367 109.8472 115.2347 108.7005 102.5994 111.3734 109.0122 105.9918 111.3718 110.2677 112.3034 110.4921 106.4726 108.1549 122.2062 129.4884 105.5365 111.9082 111.0021 109.9356 112.303 106.2586 111.4671 107.1455 108.1718 111.6001 109.3306 109.0262 110.7111 111.8237 109.5093 107.5808 108.8475 108.2823 110.1076 112.5684 110.4827 107.13 107.8798 108.5049 129.9169 115.9569 114.0563 124.5958 118.0836 117.3172 110.5606 122.8794 126.5587 121.4369 120.3804 118.1671 121.9252 119.1454 118.9284 114.6589 121.7532 123.587 119.4831 120.564 119.9514 119.0525 120.8212 120.126 119.6036 119.6218 120.7729 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 35 35 35 11 16 4 4 4 16 16 16 4 4 11 11 3 3 19 19 16 16 8 8 8 12 12 12 13 13 13 7 7 7 12 12 12 13 13 13 7 7 7 8 8 8 13 13 13 7 7 7 8 8 8 12 12 12 2 2 6 6 11 11 2 2 2 6 6 6 9 9 9 6 6 6 23 23 23 24 24 24 7 7 7 14 14 14 7 7 10 10 9 9 36 36 14 14 18 18 14 14 17 17 15 15 38 38 15 15 39 39 17 17 41 41 18 18 42 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 14 14 14 14 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 7 7 7 4 4 11 11 11 11 11 11 16 16 16 16 19 19 16 16 19 19 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 6 9 11 19 19 7 27 28 7 27 28 5 37 5 37 5 40 3 37 4 40 2 9 11 2 9 11 2 9 11 10 23 24 10 23 24 10 23 24 29 30 31 29 30 31 29 30 31 32 33 34 32 33 34 32 33 34 10 14 10 14 10 14 3 27 28 3 27 28 3 27 28 9 25 26 9 25 26 9 25 26 8 25 26 8 25 26 15 36 15 36 17 18 17 18 20 38 20 38 21 39 21 39 22 41 22 41 22 42 22 42 1 21 1 21 1 20 1 160.5473 -84.2075 38.4585 -174.3987 -0.7992 62.0969 -175.5399 -58.1312 -109.9845 12.3787 129.7874 1.1506 -179.2268 173.9216 -6.4557 0.2172 -179.4569 -0.9459 179.4487 0.4457 -179.887 162.1464 39.1141 -77.3691 45.9967 -77.0356 166.4812 -75.6648 161.3029 44.8197 -33.9321 -156.3501 85.6741 81.212 -41.206 -159.1818 -156.6771 80.9049 -37.0709 -65.2131 54.7377 174.7628 -176.1951 -56.2444 63.7808 59.3499 179.3006 -60.6742 175.3095 -65.2299 56.2467 -68.7285 50.7321 172.2087 53.9001 173.3607 -65.1627 -150.0722 25.8609 -30.7358 145.1973 87.4283 -96.6385 -67.5561 172.6819 51.9875 171.2873 51.5253 -69.1691 58.792 -60.97 178.3356 15.5222 -104.0321 137.437 137.3455 17.7912 -100.7397 -103.9369 136.5088 17.9779 9.7766 130.6266 -111.2952 -165.7638 -44.9138 73.1644 -178.048 -1.3051 -3.0575 173.6855 -18.2503 162.4353 164.9566 -14.3577 179.6662 -1.801 -1.0146 177.5182 -179.3993 0.2312 1.236 -179.1335 0.1218 179.6729 -178.4424 1.1087 -0.5518 179.6236 179.817 -0.0076 -179.8585 0.6085 0.5876 -178.9454 -179.9305 -0.3975 -0.1046 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0509373360 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 8.797450 0.000000 8.713759 2.948828 0.000000 8.866888 2.828021 1.336337 0.000000 8.322244 4.767795 2.173865 2.235414 0.000000 9.032587 2.417533 3.825650 4.477610 5.862269 0.000000 8.389028 1.392159 2.471320 2.987197 4.441672 1.552270 0.000000 8.483555 3.646304 4.177610 5.128755 5.974782 1.536413 2.405371 0.000000 6.917836 2.463782 2.898484 3.480111 4.324272 2.384918 1.519399 2.421706 0.000000 7.008669 3.677390 3.820262 4.715509 5.212310 2.459128 2.447545 1.541500 1.505944 0.000000 9.118029 2.406164 1.442795 2.412492 3.584165 2.551448 1.548393 3.018645 2.489564 3.136022 0.000000 8.867053 2.768809 4.982240 5.367608 6.906531 1.531668 2.511809 2.508296 2.973722 3.140859 3.882488 0.000000 10.543499 3.117587 4.360610 4.998886 6.522274 1.523564 2.579233 2.546702 3.776221 3.804637 2.946622 2.486595 0.000000 5.984890 2.881095 3.308140 3.490133 4.175226 3.571208 2.508108 3.707040 1.332891 2.560297 3.407571 3.811511 4.957108 0.000000 4.524256 4.317440 4.476293 4.664679 4.825069 4.780018 3.906816 4.594765 2.515964 3.182010 4.720769 4.857783 6.242626 1.462060 0.000000 8.376251 4.183482 1.336259 2.179599 1.310427 4.825242 3.550628 4.815196 3.515035 4.196442 2.520395 6.014227 5.444380 3.747055 4.568908 0.000000 3.984037 5.337099 5.026101 5.491500 5.203698 5.298189 4.620353 4.696328 3.112561 3.161746 5.230970 5.526566 6.754130 2.524558 1.396183 4.835151 0.000000 3.980548 4.999677 5.473540 5.366398 5.598856 5.822420 4.920776 5.823918 3.694711 4.489997 5.832379 5.639321 7.274408 2.457736 1.397510 5.599094 2.387598 0.000000 8.611026 4.035429 2.074341 1.313785 1.343870 5.619780 4.102024 6.066584 4.237197 5.414840 3.456560 6.505044 6.230255 3.973876 4.834484 2.073660 5.548069 5.420830 0.000000 2.697827 6.643931 6.326678 6.725579 6.230034 6.610544 5.989591 5.937862 4.478325 4.424270 6.606047 6.711525 8.084608 3.788240 2.425425 6.009647 1.384509 2.763098 6.633056 0.000000 2.698945 6.373729 6.691344 6.624413 6.568613 7.039652 6.225712 6.869892 4.904108 5.459909 7.095439 6.803756 8.525907 3.745065 2.429495 6.646031 2.770929 1.382591 6.528432 2.405002 0.000000 1.727321 7.080443 7.053214 7.215394 6.844580 7.372188 6.671518 6.909830 5.213211 5.423894 7.421192 7.266965 8.876465 4.257746 2.796943 6.818905 2.393695 2.388616 7.064307 1.385081 1.386061 0.000000 8.715047 4.460667 5.266032 6.186315 7.036078 2.185273 3.356442 1.090703 3.273030 2.199025 4.087564 2.620699 2.993096 4.452450 5.164313 5.881013 5.159835 6.326007 7.131589 6.272085 7.267208 7.234514 0.000000 9.129061 4.186022 4.096487 5.219432 5.867040 2.177233 2.873084 1.093418 3.072031 2.181921 2.909071 3.434192 2.643088 4.384828 5.284786 4.607405 5.252729 6.591421 6.108504 6.494468 7.624912 7.574701 1.743635 0.000000 6.360809 4.330408 4.793768 5.574095 6.024309 3.122602 3.281437 2.199814 2.147141 1.092567 4.180431 3.332425 4.534668 2.807607 3.007366 5.114137 2.828330 4.195784 6.211922 3.906092 4.992971 4.863763 2.378911 2.990641 0.000000 6.948270 4.418822 3.794413 4.854907 4.888468 3.300472 3.117103 2.183883 2.174414 1.094074 3.324158 4.189363 4.457456 3.050971 3.449226 3.830962 3.069386 4.837508 5.359383 4.265018 5.681362 5.437974 2.833639 2.329721 1.744666 0.000000 9.168298 3.352441 2.048592 3.281543 3.889319 2.739527 2.200424 2.661703 2.762061 2.872278 1.089853 4.214753 3.084423 3.841421 4.977156 2.628800 5.200182 6.229960 4.109989 6.544229 7.395033 7.523045 3.706354 2.216346 3.964585 2.789533 0.000000 10.163239 2.613241 2.066781 2.710647 4.159030 2.871885 2.177967 3.625602 3.443608 4.068338 1.091248 4.174645 2.705016 4.339379 5.716446 3.210514 6.301281 6.751719 3.857414 7.679310 8.055644 8.455751 4.611109 3.415293 5.097985 4.315674 1.762619 0.000000 9.428272 2.532670 5.193703 5.337062 7.132335 2.181206 2.824532 3.470690 3.561456 4.056663 4.171750 1.088669 2.726418 4.207247 5.348159 6.355380 6.211715 5.954463 6.534661 7.396485 7.178551 7.814323 3.669755 4.298261 4.300339 5.090718 4.719337 4.266203 0.000000 7.859308 2.983732 5.107843 5.436749 6.812487 2.193604 2.727927 2.761970 2.633836 2.857445 4.225882 1.090997 3.459250 3.201051 4.034615 6.015494 4.728490 4.720898 6.443718 5.826259 5.818586 6.292235 2.850408 3.821191 2.765612 3.951176 4.559345 4.732114 1.757511 0.000000 9.416104 3.821163 5.901114 6.385467 7.860096 2.157983 3.462382 2.754013 3.852984 3.653723 4.694888 1.091540 2.729707 4.752281 5.666410 6.889893 6.179262 6.459556 7.529561 7.290124 7.528924 7.891315 2.434361 3.615796 3.694052 4.658272 4.856227 4.921980 1.762950 1.762205 0.000000 11.049402 4.046063 5.412463 6.080913 7.558652 2.159968 3.517319 2.859182 4.530075 4.298612 3.983524 2.678351 1.091214 5.729493 6.917981 6.442736 7.346598 7.940258 7.305604 8.621635 9.134756 9.431189 2.903474 2.969425 4.862534 4.978493 3.973769 3.765435 2.982619 3.707212 2.464776 0.000000 10.899571 3.630630 4.090216 4.898975 6.204620 2.191990 2.904780 2.774723 4.083882 4.011443 2.680626 3.461868 1.091629 5.319353 6.599041 5.055575 6.988455 7.732433 6.058676 8.337228 8.973484 9.233450 3.352889 2.426413 4.888155 4.414884 2.574520 2.305174 3.770025 4.339283 3.710113 1.751405 0.000000 11.013748 2.855570 4.489260 4.857455 6.651577 2.170136 2.824594 3.493622 4.218912 4.572148 3.208956 2.775586 1.090938 5.234025 6.608490 5.710408 7.302495 7.506452 6.153117 8.645386 8.818287 9.319295 3.973484 3.666533 5.292469 5.278461 3.645411 2.708538 2.568528 3.773508 3.151526 1.758923 1.767790 0.000000 8.830378 0.968928 2.496478 2.011655 4.093049 3.248662 1.940196 4.340454 2.828310 4.185348 2.431229 3.728271 3.852100 2.974652 4.382510 3.715414 5.451539 4.984677 3.200785 6.736867 6.362423 7.120358 5.246768 4.757672 4.894993 4.765677 3.486763 2.610691 3.473697 3.857560 4.785297 4.853417 4.176713 3.529776 0.000000 6.479631 2.508918 3.263729 3.021050 4.059874 3.931366 2.674007 4.422632 2.067931 3.498199 3.546348 4.074386 5.170407 1.085301 2.151041 3.869836 3.417077 2.622053 3.526864 4.559621 3.995643 4.783822 5.209869 5.082843 3.813057 4.026848 4.235496 4.312483 4.190464 3.552203 5.111552 6.019862 5.576284 5.222152 2.369895 0.000000 8.403006 4.841910 2.127521 3.208038 2.135642 4.981172 3.944525 4.652958 3.759285 4.046579 2.863976 6.265855 5.584677 4.171907 4.838957 1.079085 4.804725 6.004920 3.130463 5.930475 6.947189 6.910107 5.662519 4.276152 4.961620 3.433217 2.532315 3.606043 6.758957 6.275495 7.029804 6.492660 5.081230 6.029034 4.534809 4.535836 0.000000 4.819491 5.313794 4.677786 5.388352 4.983227 4.924554 4.358583 4.091799 2.906322 2.577650 4.770087 5.390592 6.300454 2.772887 2.152521 4.401556 1.080028 3.375790 5.501558 2.121816 3.850123 3.362210 4.579598 4.486897 2.406643 2.188837 4.537429 5.855903 6.183999 4.741607 5.975224 6.870294 6.407524 6.962012 5.471550 3.783473 4.164466 0.000000 4.828190 4.664713 5.501159 5.156430 5.711836 5.862202 4.890571 6.139738 3.922967 4.965523 5.875733 5.559994 7.237203 2.645939 2.145800 5.806335 3.372625 1.083099 5.278623 3.846147 2.129307 3.366053 6.678436 6.946908 4.773202 5.450243 6.444202 6.681030 5.675584 4.690047 6.447654 7.936171 7.766858 7.312558 4.587909 2.373129 6.375528 4.278769 0.000000 8.850445 4.638405 3.113224 2.094883 2.138004 6.480499 4.941896 7.025416 5.062040 6.332153 4.438114 7.230234 7.088176 4.595593 5.338936 3.115689 6.154333 5.676002 1.078528 7.128245 6.719045 7.378381 8.073071 7.132650 7.057313 6.328098 5.160538 4.747629 7.149312 7.120566 8.288327 8.167152 6.980878 6.900998 3.722306 3.967462 4.142993 6.253797 5.395872 0.000000 2.842739 7.470499 6.932433 7.466062 6.764678 7.194422 6.679517 6.325412 5.170859 4.852484 7.179343 7.381816 8.629130 4.664924 3.402639 6.483998 2.143271 3.844241 7.331626 1.081246 3.384479 2.142992 6.583127 6.774460 4.308659 4.508781 6.967006 8.267235 8.155071 6.539832 7.868520 9.111284 8.804548 9.282620 7.587130 5.511879 6.236080 2.441548 4.927254 7.880623 0.000000 2.846061 7.037563 7.518575 7.305835 7.316982 7.881766 7.051298 7.822290 5.815705 6.458958 7.966645 7.525276 9.350785 4.601594 3.407201 7.510974 3.852106 2.144084 7.166928 3.385052 1.081187 2.144951 8.199112 8.616090 5.976620 6.735410 8.344423 8.881163 7.795900 6.521961 8.252762 9.956726 9.851986 9.564360 6.988230 4.668775 7.888086 4.931184 2.455217 7.218058 4.277602 0.000000 C17H20ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4148171 0.1478467 0.1238587 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 8.846442 0.000000 8.688191 2.952332 0.000000 8.850904 2.844657 1.359566 0.000000 8.105545 4.752481 2.194969 2.258380 0.000000 9.207922 2.440013 3.864968 4.534312 5.899394 0.000000 8.468752 1.415013 2.490778 3.040404 4.449472 1.564628 0.000000 8.678209 3.674462 4.252158 5.223425 6.045708 1.545849 2.419625 0.000000 7.002745 2.487801 2.932165 3.561596 4.318324 2.415232 1.530005 2.440283 0.000000 7.161435 3.699550 3.923816 4.844329 5.296059 2.472857 2.465196 1.550670 1.514137 0.000000 9.162016 2.416758 1.455753 2.442896 3.616549 2.578663 1.557359 3.076743 2.513711 3.216151 0.000000 9.103671 2.763538 5.010875 5.405450 6.920980 1.541525 2.522216 2.528462 3.015929 3.147734 3.904012 0.000000 10.715005 3.148046 4.383853 5.028451 6.562884 1.531780 2.594756 2.566945 3.807152 3.832217 2.958887 2.502604 0.000000 6.032459 2.900923 3.250679 3.494888 4.035060 3.624174 2.513028 3.744709 1.338471 2.581021 3.376762 3.908632 5.000270 0.000000 4.568212 4.333955 4.421997 4.654808 4.642048 4.864735 3.927794 4.676592 2.541568 3.243015 4.708244 4.993471 6.317072 1.466154 0.000000 8.228225 4.166789 1.347690 2.205813 1.322700 4.853979 3.544095 4.876194 3.490435 4.269391 2.542614 6.027628 5.478832 3.597490 4.403320 0.000000 4.022600 5.375234 5.120292 5.629438 5.238620 5.359332 4.664993 4.753542 3.145160 3.206664 5.310334 5.589455 6.821804 2.543148 1.406063 4.861131 0.000000 4.018222 5.001904 5.289293 5.192765 5.185759 5.959791 4.940243 5.965380 3.734728 4.594773 5.756888 5.880614 7.388912 2.463933 1.406873 5.267919 2.402482 0.000000 8.484317 4.035715 2.098663 1.325750 1.357011 5.670038 4.136953 6.154007 4.284193 5.527828 3.491183 6.531877 6.267625 3.917236 4.744843 2.094997 5.650387 5.105764 0.000000 2.728939 6.680815 6.392569 6.824648 6.205371 6.704011 6.043191 6.038802 4.524531 4.505386 6.679956 6.819322 8.182540 3.809994 2.439783 5.996136 1.391113 2.778048 6.679860 0.000000 2.729668 6.382213 6.531629 6.468686 6.164235 7.195733 6.259866 7.038640 4.956316 5.586464 7.043547 7.060205 8.663393 3.759306 2.444661 6.335619 2.787788 1.389235 6.225815 2.419199 0.000000 1.759110 7.100364 6.999493 7.180181 6.612927 7.504947 6.716090 7.057713 5.263698 5.537183 7.430371 7.459540 9.002331 4.273572 2.809110 6.643839 2.403123 2.396720 6.925700 1.391049 1.391629 0.000000 8.989830 4.488593 5.341608 6.280711 7.112166 2.193660 3.374667 1.091911 3.307001 2.209529 4.142546 2.649083 3.005925 4.523810 5.294195 5.947459 5.234236 6.552330 7.221550 6.408239 7.529713 7.454976 0.000000 9.274825 4.207579 4.153999 5.295787 5.933020 2.181639 2.870009 1.094432 3.061403 2.188743 2.951325 3.455854 2.665362 4.374013 5.314213 4.663027 5.290118 6.655333 6.183857 6.570487 7.719626 7.671316 1.751503 0.000000 6.602581 4.307083 4.886790 5.684534 6.105346 3.107635 3.272152 2.206294 2.149277 1.094111 4.244327 3.294549 4.537223 2.849335 3.124602 5.188110 2.902397 4.390480 6.312471 4.040734 5.220815 5.064110 2.393878 3.012726 0.000000 7.026115 4.474103 3.959022 5.041852 5.038052 3.332411 3.162615 2.195852 2.179704 1.095315 3.455453 4.204715 4.510124 3.036682 3.448495 3.971547 3.078702 4.855287 5.535326 4.299310 5.717637 5.477865 2.830115 2.348269 1.751523 0.000000 9.233733 3.366878 2.059654 3.311825 3.925942 2.776171 2.205110 2.738434 2.780878 2.970932 1.089771 4.256992 3.103878 3.804576 4.967268 2.655209 5.285270 6.166843 4.146584 6.632114 7.359760 7.549190 3.782246 2.277744 4.063041 2.941139 0.000000 10.195778 2.604280 2.073004 2.707361 4.205347 2.882242 2.176605 3.676094 3.459103 4.135643 1.090099 4.167787 2.705951 4.305605 5.697171 3.255687 6.372432 6.665327 3.881000 7.745480 7.990433 8.454422 4.654046 3.469060 5.141480 4.443740 1.774955 0.000000 9.615344 2.481739 5.165012 5.307373 7.085799 2.180313 2.802744 3.483471 3.572036 4.046372 4.147498 1.090275 2.742291 4.268386 5.441532 6.314377 6.243096 6.146120 6.494350 7.465852 7.382874 7.958108 3.700367 4.311329 4.245567 5.092945 4.719442 4.212752 0.000000 8.109323 2.978489 5.140374 5.489544 6.819273 2.196075 2.734233 2.762320 2.670709 2.839873 4.248103 1.092724 3.471731 3.317568 4.192397 6.018352 4.780650 5.013107 6.476755 5.928455 6.117439 6.502756 2.862685 3.821167 2.697323 3.934358 4.597938 4.727430 1.761378 0.000000 9.723545 3.815880 5.941435 6.427761 7.893941 2.167672 3.477580 2.788830 3.907485 3.678489 4.725215 1.093773 2.736458 4.865729 5.835678 6.924672 6.266125 6.756694 7.567045 7.436191 7.855052 8.145025 2.481593 3.657838 3.682383 4.686128 4.915129 4.920009 1.776379 1.772074 0.000000 11.271641 4.066721 5.446512 6.113753 7.610789 2.166607 3.533509 2.886500 4.566829 4.328658 4.007360 2.688021 1.093628 5.788541 7.018397 6.492386 7.421944 8.106535 7.348238 8.739389 9.330468 9.600902 2.922782 3.012847 4.867538 5.029448 4.015735 3.775388 3.002883 3.713787 2.464225 0.000000 11.033041 3.674560 4.124034 4.942979 6.266829 2.197283 2.921413 2.785702 4.104060 4.039049 2.700720 3.477089 1.093581 5.335834 6.642348 5.107870 7.049575 7.790496 6.115480 8.421982 9.055022 9.322839 3.351788 2.437901 4.899707 4.473857 2.588111 2.339695 3.783729 4.348064 3.718588 1.759678 0.000000 11.147770 2.864118 4.465205 4.832823 6.645955 2.171109 2.820570 3.508060 4.234268 4.587137 3.179678 2.785914 1.093307 5.260100 6.658984 5.701737 7.351506 7.587622 6.139643 8.717813 8.918279 9.410861 3.988538 3.680339 5.277524 5.321279 3.625827 2.657098 2.578414 3.783849 3.153491 1.767918 1.774876 0.000000 8.846108 0.971436 2.479834 2.009034 4.066810 3.267445 1.959498 4.372113 2.860392 4.224965 2.423031 3.728629 3.865537 2.985744 4.382876 3.685018 5.509108 4.923354 3.188682 6.779550 6.310078 7.111133 5.279085 4.775469 4.897917 4.842944 3.480379 2.578544 3.424201 3.867412 4.783754 4.861153 4.203626 3.512891 0.000000 6.512457 2.504692 3.114012 2.924803 3.823083 3.964870 2.648784 4.442084 2.060515 3.507355 3.449808 4.168395 5.187331 1.086710 2.151628 3.636034 3.445749 2.598301 3.363935 4.583544 3.983422 4.787007 5.267599 5.047696 3.840871 4.011406 4.137088 4.211297 4.251768 3.679293 5.217976 6.055529 5.560709 5.222057 2.338523 0.000000 8.222632 4.815436 2.135306 3.233986 2.148061 4.997075 3.916762 4.696883 3.693082 4.088203 2.881547 6.269260 5.619739 3.982495 4.630341 1.079049 4.776294 5.654828 3.151953 5.871447 6.613680 6.699072 5.715272 4.322784 5.016134 3.540309 2.559604 3.664362 6.715179 6.258092 7.061141 6.548820 5.135234 6.025596 4.496897 4.283341 0.000000 4.854892 5.370315 4.915280 5.666134 5.244660 4.932680 4.413144 4.075204 2.929679 2.555747 4.929804 5.353417 6.332531 2.798483 2.163189 4.629387 1.080000 3.392140 5.790294 2.126028 3.867159 3.370878 4.531720 4.489192 2.343417 2.180457 4.703557 6.005464 6.135550 4.667848 5.936788 6.882433 6.460763 6.988223 5.583444 3.833114 4.342122 0.000000 4.866054 4.652538 5.215465 4.852920 5.154191 6.013478 4.895536 6.289734 3.958372 5.070882 5.740003 5.852608 7.356728 2.648084 2.154597 5.365046 3.388715 1.084693 4.799961 3.862696 2.136434 3.376034 6.928001 7.004058 4.970798 5.462245 6.324523 6.530911 5.923494 5.052458 6.799643 8.119472 7.813151 7.397770 4.475170 2.327433 5.936572 4.297167 0.000000 8.708975 4.644992 3.138417 2.104256 2.150854 6.533419 4.985103 7.114941 5.122406 6.448974 4.473675 7.258038 7.124543 4.567605 5.268244 3.137412 6.271774 5.355992 1.079119 7.184556 6.398307 7.235467 8.165144 7.208790 7.160263 6.505366 5.197176 4.766390 7.108118 7.159548 8.323095 8.205304 7.037108 6.886533 3.722752 3.846743 4.165198 6.554314 4.891862 0.000000 2.862358 7.519492 7.076933 7.641975 6.867228 7.275358 6.745938 6.412493 5.221306 4.924761 7.303204 7.449107 8.723876 4.693235 3.420584 6.581192 2.153821 3.860591 7.482637 1.082629 3.397195 2.147295 6.684091 6.858290 4.411526 4.555355 7.109845 8.385212 8.190336 6.585982 7.964175 9.214202 8.901739 9.355035 7.659330 5.547504 6.293796 2.451587 4.945194 8.041943 0.000000 2.866411 7.042070 7.298885 7.072533 6.804148 8.061543 7.085072 8.015256 5.872912 6.599688 7.884434 7.831983 9.507855 4.618472 3.425548 7.124353 3.870255 2.154706 6.755192 3.398196 1.082487 2.149550 8.503892 8.723479 6.228161 6.775822 8.281363 8.781923 8.051041 6.880385 8.642336 10.185870 9.939714 9.680765 6.910065 4.652820 7.487508 4.949505 2.468621 6.766126 4.287544 0.000000 C17H20ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4156445 0.1464607 0.1222606 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= 630 630 630 630 630 MxSgAt= 42 MxSgA2= 42. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1930.7104811614 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0506381073 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1931.3529803353 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0506977229 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1935.1257049141 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0510582772 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1932.5127541585 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0508389326 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1933.4297388578 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0508653510 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1933.5329965554 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0508556290 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1933.8949102826 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0508880912 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1934.4245462035 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0509452884 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1934.4612272129 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0509577995 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1934.4907138709 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0509625409 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1934.3899500498 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0509518045 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1934.2815682515 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0509392166 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1934.1825525176 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0509287073 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1934.1562333156 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0509266019 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1934.1668836601 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0509276958 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 612 RedAO= T EigKep= 1.05D-06 NBF= 612 NBsUse= 609 1.00D-06 EigRej= 8.00D-07 NBFU= 609 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 630 629 630 630 630 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1359.21299331754 -1359.43487216248 -0.221878844939 -1359.77173441132 -0.336862248843 -1359.79947772614 -0.027743314816 -1359.81887352852 -0.019395802389 -1359.81989928033 -0.001025751803 -1359.81999529711 -0.000096016786 -1359.82000513373 -0.000009836616 -1359.82000566396 -0.000000530231 -1359.82000580459 -0.000000140630 -1359.82000581201 -0.000000007421 -1359.82000581344 -0.000000001426 -1359.82000581350 -0.000000000065 -1359.82000581343 0.000000000070 -1359.82000581349 -0.000000000058 -1359.82000581352 -0.000000000029 -1359.82000581 16 1.355439056941e+03 -7.076232647495e+03 2.415673755810e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3774052475 LenY= 3773649885 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1.04437388e+00 -6.76643957e-01 -7.67710944e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 17 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.014529162 0.001304753 -0.001667193 -0.003018162 -0.001163082 0.012691794 -0.005398823 0.008226410 -0.006694403 -0.006359303 0.002326608 0.018324002 0.009110676 -0.011571626 -0.005118724 -0.003486053 0.002793409 -0.000370568 0.001251189 0.002321944 -0.008627800 -0.001220050 0.003617493 -0.005235894 0.002531792 -0.000940675 -0.000550523 0.003316095 0.001235719 -0.003354308 -0.006870256 0.002207190 -0.004102921 0.001174556 0.004295385 0.004114011 -0.004770075 0.000210286 -0.000313794 0.001221283 -0.002185273 0.001811130 -0.003922678 -0.000462410 0.001031582 0.001427402 0.004555748 -0.016642027 -0.002456159 0.000587966 -0.005796059 -0.000900380 -0.001219345 0.005530909 0.005201603 -0.012773902 0.010922262 0.000722487 0.000789341 -0.005386353 0.002238856 -0.000629601 0.005018685 -0.006071899 -0.000464372 0.000721881 -0.000072493 0.000984344 0.000225893 -0.000598971 -0.000439943 -0.000254824 0.000808224 0.000180981 0.000529282 0.000185085 -0.000849772 -0.000624440 0.000876103 0.000262901 0.000193011 0.000527735 0.000241647 0.001605014 -0.000508000 -0.001915217 0.000998334 0.001197831 -0.000824696 -0.000211297 -0.000692035 0.001501822 -0.000944089 -0.000076263 0.001910877 -0.000316124 -0.000084409 -0.000871455 -0.001117570 0.000089808 -0.000949401 0.001664827 0.000382836 -0.002333868 0.000254925 -0.001440095 -0.000172934 0.000637089 -0.000217100 0.000537692 -0.000080314 -0.000167812 0.000061747 -0.000327127 -0.000543719 -0.000252993 0.001139619 -0.000007825 -0.000266949 0.000569136 0.000992609 0.000137449 -0.000816397 0.001097226 -0.000004198 0.000569364 0.018324002 0.004277303 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1359.82316300621 -1359.82316586933 -0.000002863123 -1359.82316582446 0.000000044863 -1359.82316591205 -0.000000087587 -1359.82316591314 -0.000000001083 -1359.82316591365 -0.000000000513 -1359.82316591368 -0.000000000035 -1359.82316591378 -0.000000000095 -1359.82316591366 0.000000000117 -1359.82316591 9 1.354833245859e+03 -7.053410010829e+03 2.404637643092e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3774052475 LenY= 3773649885 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT140782.300S Sat Aug 14 06:51:47 2021 1.13779150e+00 -6.74927293e-01 -8.03091812e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1359.8231659 5.799E-9 4.435E-6 -4.190167,-3.3681206,7.5582876,-1.0002757,6.9413919,-5.7484647 C01 [X(C17H20Cl1N3O1)] -1.1278876 0.6365937 -0.8471545 -0.000009708 -0.000000897 0.000001991 -0.000007441 0.000001212 -0.000003332 -0.000018191 -0.000002769 0.000003407 0.000001565 0.000013690 0.000015565 0.000011016 -0.000008482 -0.000007828 0.000000177 0.000002778 0.000006193 0.000002702 0.000002404 0.000007079 0.000002833 -0.000001786 -0.000004092 0.000000152 -0.000003003 0.000000727 0.000000176 0.000003225 -0.000003394 0.000001101 -0.000003986 -0.000004681 -0.000000162 -0.000000978 -0.000002927 0.000001169 0.000000844 -0.000001437 -0.000000252 0.000003359 0.000000765 -0.000001912 -0.000001043 -0.000001788 0.000011966 0.000004249 -0.000005932 0.000001611 0.000000161 -0.000001891 0.000001546 -0.000001193 0.000002782 -0.000007670 -0.000003561 -0.000004385 -0.000007789 -0.000001284 0.000003259 -0.000009499 -0.000000150 0.000000157 0.000022050 0.000000938 -0.000001939 0.000000403 0.000000557 0.000001349 -0.000000560 -0.000001510 -0.000000272 0.000000148 0.000000283 0.000001370 -0.000000306 -0.000000918 0.000000292 -0.000000217 -0.000001140 -0.000001376 -0.000000963 0.000001645 0.000000521 -0.000000518 -0.000000628 0.000000454 0.000000905 -0.000000899 -0.000000495 -0.000000552 0.000001485 -0.000000466 0.000000560 0.000001647 -0.000001475 -0.000000619 -0.000000256 -0.000001042 -0.000000466 -0.000000202 -0.000000456 0.000004665 -0.000001851 -0.000000250 0.000000751 -0.000000532 0.000000809 -0.000000780 -0.000002202 0.000000800 0.000001536 0.000000430 0.000000544 0.000000613 0.000000018 0.000000896 -0.000000858 0.000000970 -0.000001022 0.000000678 0.000000138 -0.000000723 0.000000139 -0.000000765 0.000002244 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-BELVIS17 PAULAPLA Optimization triticonazole_Z CONF1 gas EM64L-G16RevC.01 120 C1[X(C17H20ClN3O)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization triticonazole_Z CONF1 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/paulapla/almacen/ADAMA/censo_results/triticonazole_Z/gas/CONF1/opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 2 2 3 3 3 4 5 5 6 6 6 6 7 7 8 8 8 9 9 10 10 11 11 12 12 12 13 13 13 14 14 15 15 16 17 17 18 18 19 20 20 21 21 22 7 35 4 11 16 19 16 19 7 8 12 13 9 11 10 23 24 10 14 25 26 27 28 29 30 31 32 33 34 15 36 17 18 37 20 38 21 39 40 22 41 22 42 1.7591 1.415 0.9714 1.3596 1.4558 1.3477 1.3257 1.3227 1.357 1.5646 1.5458 1.5415 1.5318 1.53 1.5574 1.5507 1.0919 1.0944 1.5141 1.3385 1.0941 1.0953 1.0898 1.0901 1.0903 1.0927 1.0938 1.0936 1.0936 1.0933 1.4662 1.0867 1.4061 1.4069 1.079 1.3911 1.08 1.3892 1.0847 1.0791 1.391 1.0826 1.3916 1.0825 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 7 4 4 11 3 16 7 7 7 8 8 12 2 2 2 6 6 9 6 6 6 10 10 23 7 7 10 8 8 8 9 9 25 3 3 3 7 7 27 6 6 6 29 29 30 6 6 6 32 32 33 9 9 15 14 14 17 3 3 5 15 15 20 15 15 21 4 4 5 17 17 22 18 18 22 1 1 20 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 35 11 16 16 19 19 8 12 13 12 13 13 6 9 11 9 11 11 10 23 24 23 24 24 10 14 14 9 25 26 25 26 26 7 27 28 27 28 28 29 30 31 30 31 31 32 33 34 33 34 34 15 36 36 17 18 18 5 37 37 20 38 38 21 39 39 5 40 40 22 41 41 22 42 42 20 21 21 108.9699 120.3501 109.1301 130.1379 102.7951 102.8438 102.1348 108.5826 113.8525 109.9633 113.0366 109.0367 109.8472 115.2347 108.7005 102.5994 111.3734 109.0122 105.9918 111.3718 110.2677 112.3034 110.4921 106.4726 108.1549 122.2062 129.4884 105.5365 111.9082 111.0021 109.9356 112.303 106.2586 111.4671 107.1455 108.1718 111.6001 109.3306 109.0262 110.7111 111.8237 109.5093 107.5808 108.8475 108.2823 110.1076 112.5684 110.4827 107.13 107.8798 108.5049 129.9169 115.9569 114.0563 124.5958 118.0836 117.3172 110.5606 122.8794 126.5587 121.4369 120.3804 118.1671 121.9252 119.1454 118.9284 114.6589 121.7532 123.587 119.4831 120.564 119.9514 119.0525 120.8212 120.126 119.6036 119.6218 120.7729 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 35 35 35 11 16 4 4 4 16 16 16 4 4 11 11 3 3 19 19 16 16 8 8 8 12 12 12 13 13 13 7 7 7 12 12 12 13 13 13 7 7 7 8 8 8 13 13 13 7 7 7 8 8 8 12 12 12 2 2 6 6 11 11 2 2 2 6 6 6 9 9 9 6 6 6 23 23 23 24 24 24 7 7 7 14 14 14 7 7 10 10 9 9 36 36 14 14 18 18 14 14 17 17 15 15 38 38 15 15 39 39 17 17 41 41 18 18 42 42 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 14 14 14 14 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 7 7 7 4 4 11 11 11 11 11 11 16 16 16 16 19 19 16 16 19 19 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 6 9 11 19 19 7 27 28 7 27 28 5 37 5 37 5 40 3 37 4 40 2 9 11 2 9 11 2 9 11 10 23 24 10 23 24 10 23 24 29 30 31 29 30 31 29 30 31 32 33 34 32 33 34 32 33 34 10 14 10 14 10 14 3 27 28 3 27 28 3 27 28 9 25 26 9 25 26 9 25 26 8 25 26 8 25 26 15 36 15 36 17 18 17 18 20 38 20 38 21 39 21 39 22 41 22 41 22 42 22 42 1 21 1 21 1 20 1 20 160.5473 -84.2075 38.4585 -174.3987 -0.7992 62.0969 -175.5399 -58.1312 -109.9845 12.3787 129.7874 1.1506 -179.2268 173.9216 -6.4557 0.2172 -179.4569 -0.9459 179.4487 0.4457 -179.887 162.1464 39.1141 -77.3691 45.9967 -77.0356 166.4812 -75.6648 161.3029 44.8197 -33.9321 -156.3501 85.6741 81.212 -41.206 -159.1818 -156.6771 80.9049 -37.0709 -65.2131 54.7377 174.7628 -176.1951 -56.2444 63.7808 59.3499 179.3006 -60.6742 175.3095 -65.2299 56.2467 -68.7285 50.7321 172.2087 53.9001 173.3607 -65.1627 -150.0722 25.8609 -30.7358 145.1973 87.4283 -96.6385 -67.5561 172.6819 51.9875 171.2873 51.5253 -69.1691 58.792 -60.97 178.3356 15.5222 -104.0321 137.437 137.3455 17.7912 -100.7397 -103.9369 136.5088 17.9779 9.7766 130.6266 -111.2952 -165.7638 -44.9138 73.1644 -178.048 -1.3051 -3.0575 173.6855 -18.2503 162.4353 164.9566 -14.3577 179.6662 -1.801 -1.0146 177.5182 -179.3993 0.2312 1.236 -179.1335 0.1218 179.6729 -178.4424 1.1087 -0.5518 179.6236 179.817 -0.0076 -179.8585 0.6085 0.5876 -178.9454 -179.9305 -0.3975 -0.1046 179.4283 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00069 0.00279 0.00326 0.00365 0.00391 0.00530 0.00770 0.00941 0.01252 0.01464 0.01670 0.01721 0.01779 0.02156 0.02232 0.02263 0.02326 0.02372 0.02588 0.02605 0.02778 0.02927 0.03030 0.03406 0.03671 0.04074 0.04181 0.04377 0.04493 0.04509 0.04587 0.04636 0.04728 0.04846 0.05408 0.05779 0.05871 0.06197 0.06599 0.06964 0.07147 0.07240 0.07719 0.08053 0.08712 0.09472 0.10027 0.10862 0.11333 0.11580 0.11611 0.11904 0.11939 0.12389 0.12606 0.12917 0.13449 0.14034 0.14889 0.15449 0.15574 0.15902 0.16045 0.17137 0.17449 0.17802 0.18499 0.19343 0.19669 0.19908 0.20232 0.21404 0.22323 0.23213 0.24007 0.24501 0.25024 0.25422 0.26130 0.27061 0.27402 0.27779 0.29234 0.30296 0.31497 0.32078 0.32211 0.32613 0.33006 0.33219 0.33247 0.33296 0.33615 0.33728 0.34027 0.34091 0.34515 0.34653 0.34840 0.35249 0.35575 0.35876 0.35948 0.36133 0.36857 0.37084 0.38163 0.39473 0.40439 0.41313 0.42100 0.45046 0.46109 0.46460 0.48078 0.49327 0.50361 0.51640 0.59853 0.61980 Angle between quadratic step and forces= 70.56 degrees. 1 2 0.00019772 0.00000002 0.00000002 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 3.32424 2.67399 1.83575 2.56921 2.75097 2.54676 2.50530 2.49954 2.56438 2.95672 2.92123 2.91306 2.89465 2.89129 2.94298 2.93034 2.06341 2.06818 2.86130 2.52934 2.06757 2.06985 2.05937 2.05999 2.06032 2.06495 2.06693 2.06666 2.06657 2.06605 2.77063 2.05358 2.65707 2.65861 2.03911 2.62882 2.04090 2.62527 2.04977 2.03924 2.62870 2.04587 2.62980 2.04560 1.90188 2.10051 1.90468 2.27133 1.79411 1.79496 1.78259 1.89512 1.98710 1.91922 1.97286 1.90305 1.91720 2.01123 1.89718 1.79070 1.94383 1.90262 1.84991 1.94380 1.92453 1.96006 1.92845 1.85830 1.88766 2.13290 2.26000 1.84196 1.95317 1.93735 1.91874 1.96006 1.85456 1.94547 1.87004 1.88795 1.94779 1.90818 1.90287 1.93227 1.95169 1.91130 1.87764 1.89975 1.88988 1.92174 1.96469 1.92829 1.86977 1.88286 1.89377 2.26748 2.02383 1.99066 2.17461 2.06095 2.04757 1.92965 2.14465 2.20887 2.11947 2.10103 2.06240 2.12800 2.07948 2.07569 2.00118 2.12499 2.15700 2.08537 2.10424 2.09355 2.07786 2.10873 2.09659 2.08748 2.08779 2.10789 2.80208 -1.46970 0.67123 -3.04383 -0.01395 1.08380 -3.06375 -1.01458 -1.91959 0.21605 2.26522 0.02008 -3.12810 3.03551 -0.11267 0.00379 -3.13211 -0.01651 3.13197 0.00778 -3.13962 2.82999 0.68267 -1.35035 0.80279 -1.34452 2.90565 -1.32060 2.81527 0.78225 -0.59223 -2.72882 1.49529 1.41742 -0.71918 -2.77825 -2.73453 1.41206 -0.64701 -1.13818 0.95535 3.05019 -3.07519 -0.98165 1.11318 1.03585 3.12939 -1.05896 3.05973 -1.13848 0.98169 -1.19954 0.88544 3.00561 0.94073 3.02571 -1.13730 -2.61925 0.45136 -0.53644 2.53417 1.52591 -1.68666 -1.17908 3.01387 0.90735 2.98953 0.89929 -1.20723 1.02611 -1.06413 3.11254 0.27091 -1.81570 2.39873 2.39713 0.31052 -1.75824 -1.81404 2.38253 0.31377 0.17063 2.27986 -1.94247 -2.89312 -0.78389 1.27696 -3.10752 -0.02278 -0.05336 3.03138 -0.31853 2.83503 2.87904 -0.25059 3.13577 -0.03143 -0.01771 3.09828 -3.13111 0.00403 0.02157 -3.12647 0.00213 3.13588 -3.11441 0.01935 -0.00963 3.13502 3.13840 -0.00013 -3.13912 0.01062 0.01025 -3.12319 -3.14038 -0.00694 -0.00183 3.13162 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00001 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 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -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 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00006 -0.00001 0.00001 0.00001 -0.00000 0.00003 0.00001 0.00001 0.00002 -0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00004 -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 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00001 -0.00003 0.00002 0.00000 -0.00005 -0.00002 -0.00002 -0.00001 0.00000 0.00002 0.00001 -0.00003 0.00001 0.00000 0.00004 -0.00003 -0.00001 0.00001 -0.00000 -0.00000 -0.00002 -0.00001 0.00000 0.00001 0.00002 -0.00001 0.00002 -0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00001 0.00002 -0.00001 -0.00001 0.00003 0.00004 -0.00004 0.00000 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00002 0.00001 -0.00003 0.00002 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00003 -0.00001 -0.00001 0.00002 -0.00002 -0.00001 0.00002 -0.00001 -0.00001 0.00002 0.00002 -0.00004 0.00044 0.00046 0.00046 0.00014 -0.00011 -0.00020 -0.00017 -0.00016 0.00010 0.00013 0.00014 0.00010 0.00000 -0.00017 -0.00027 0.00009 0.00004 -0.00004 0.00006 -0.00004 0.00002 0.00008 0.00004 0.00004 0.00008 0.00003 0.00004 0.00005 0.00001 0.00001 -0.00004 -0.00003 -0.00003 -0.00004 -0.00003 -0.00003 -0.00004 -0.00003 -0.00003 0.00002 0.00001 0.00002 0.00003 0.00002 0.00003 0.00005 0.00004 0.00005 0.00010 0.00009 0.00009 0.00007 0.00006 0.00006 0.00007 0.00006 0.00006 -0.00005 -0.00005 -0.00003 -0.00003 -0.00003 -0.00003 -0.00015 -0.00015 -0.00015 -0.00013 -0.00013 -0.00013 -0.00013 -0.00012 -0.00012 0.00002 0.00004 0.00001 -0.00000 0.00002 -0.00001 0.00003 0.00005 0.00002 0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00007 0.00000 -0.00007 0.00001 0.00017 0.00018 0.00009 0.00010 0.00002 0.00004 0.00001 0.00003 -0.00002 -0.00002 -0.00002 -0.00001 -0.00000 0.00000 -0.00002 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00006 -0.00001 0.00001 0.00001 -0.00000 0.00003 0.00001 0.00001 0.00002 -0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00004 -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 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00001 -0.00003 0.00002 0.00000 -0.00005 -0.00002 -0.00002 -0.00001 0.00000 0.00002 0.00001 -0.00003 0.00001 0.00000 0.00004 -0.00003 -0.00001 0.00001 -0.00000 -0.00000 -0.00002 -0.00001 0.00000 0.00001 0.00002 -0.00001 0.00002 -0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00001 0.00002 -0.00001 -0.00001 0.00003 0.00004 -0.00004 0.00000 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00002 0.00001 -0.00003 0.00002 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00003 -0.00001 -0.00001 0.00002 -0.00002 -0.00001 0.00002 -0.00001 -0.00001 0.00002 0.00002 -0.00004 0.00044 0.00046 0.00046 0.00014 -0.00011 -0.00020 -0.00017 -0.00016 0.00010 0.00013 0.00014 0.00010 0.00000 -0.00017 -0.00027 0.00009 0.00004 -0.00004 0.00006 -0.00004 0.00002 0.00008 0.00004 0.00004 0.00008 0.00003 0.00004 0.00005 0.00001 0.00001 -0.00004 -0.00003 -0.00003 -0.00004 -0.00003 -0.00003 -0.00004 -0.00003 -0.00003 0.00002 0.00001 0.00002 0.00003 0.00002 0.00003 0.00005 0.00004 0.00005 0.00010 0.00009 0.00009 0.00007 0.00006 0.00006 0.00007 0.00006 0.00006 -0.00005 -0.00005 -0.00003 -0.00003 -0.00003 -0.00003 -0.00015 -0.00015 -0.00015 -0.00013 -0.00013 -0.00013 -0.00013 -0.00012 -0.00012 0.00002 0.00004 0.00001 -0.00000 0.00002 -0.00001 0.00003 0.00005 0.00002 0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00007 0.00000 -0.00007 0.00001 0.00017 0.00018 0.00009 0.00010 0.00002 0.00004 0.00001 0.00003 -0.00002 -0.00002 -0.00002 -0.00001 -0.00000 0.00000 -0.00002 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00000 0.00001 3.32417 2.67397 1.83575 2.56922 2.75097 2.54679 2.50532 2.49955 2.56440 2.95671 2.92125 2.91305 2.89464 2.89129 2.94302 2.93033 2.06341 2.06818 2.86132 2.52934 2.06757 2.06985 2.05937 2.05999 2.06032 2.06495 2.06694 2.06666 2.06657 2.06605 2.77063 2.05358 2.65708 2.65861 2.03910 2.62882 2.04090 2.62526 2.04977 2.03924 2.62871 2.04588 2.62981 2.04561 1.90185 2.10053 1.90468 2.27128 1.79409 1.79494 1.78257 1.89513 1.98712 1.91923 1.97283 1.90306 1.91720 2.01127 1.89715 1.79069 1.94384 1.90262 1.84990 1.94379 1.92452 1.96007 1.92846 1.85831 1.88765 2.13292 2.25999 1.84195 1.95316 1.93736 1.91873 1.96005 1.85458 1.94546 1.87003 1.88798 1.94782 1.90814 1.90287 1.93227 1.95168 1.91131 1.87764 1.89975 1.88989 1.92173 1.96469 1.92830 1.86977 1.88287 1.89376 2.26750 2.02384 1.99063 2.17463 2.06094 2.04756 1.92966 2.14465 2.20886 2.11947 2.10105 2.06239 2.12800 2.07949 2.07568 2.00120 2.12498 2.15699 2.08540 2.10422 2.09354 2.07788 2.10871 2.09659 2.08750 2.08781 2.10785 2.80252 -1.46924 0.67169 -3.04370 -0.01406 1.08360 -3.06392 -1.01474 -1.91949 0.21618 2.26536 0.02018 -3.12810 3.03533 -0.11295 0.00389 -3.13208 -0.01655 3.13204 0.00774 -3.13960 2.83007 0.68271 -1.35030 0.80287 -1.34449 2.90568 -1.32055 2.81527 0.78226 -0.59226 -2.72885 1.49526 1.41738 -0.71921 -2.77828 -2.73457 1.41203 -0.64704 -1.13816 0.95536 3.05020 -3.07515 -0.98163 1.11321 1.03590 3.12943 -1.05892 3.05982 -1.13839 0.98178 -1.19947 0.88551 3.00567 0.94081 3.02578 -1.13724 -2.61930 0.45131 -0.53647 2.53414 1.52588 -1.68669 -1.17923 3.01372 0.90720 2.98940 0.89916 -1.20736 1.02599 -1.06425 3.11242 0.27093 -1.81566 2.39874 2.39713 0.31053 -1.75825 -1.81401 2.38258 0.31379 0.17064 2.27985 -1.94247 -2.89312 -0.78391 1.27696 -3.10760 -0.02277 -0.05344 3.03139 -0.31836 2.83521 2.87913 -0.25049 3.13579 -0.03140 -0.01770 3.09830 -3.13113 0.00401 0.02156 -3.12648 0.00212 3.13588 -3.11442 0.01934 -0.00962 3.13503 3.13840 -0.00013 -3.13913 0.01061 0.01025 -3.12320 -3.14038 -0.00693 -0.00182 3.13162 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000013 0.000002 0.001471 0.000198 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -6.379205e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 2 2 3 3 3 4 5 5 6 6 6 6 7 7 8 8 8 9 9 10 10 11 11 12 12 12 13 13 13 14 14 15 15 16 17 17 18 18 19 20 20 21 21 22 7 35 4 11 16 19 16 19 7 8 12 13 9 11 10 23 24 10 14 25 26 27 28 29 30 31 32 33 34 15 36 17 18 37 20 38 21 39 40 22 41 22 42 1.7591 1.415 0.9714 1.3596 1.4558 1.3477 1.3257 1.3227 1.357 1.5646 1.5458 1.5415 1.5318 1.53 1.5574 1.5507 1.0919 1.0944 1.5141 1.3385 1.0941 1.0953 1.0898 1.0901 1.0903 1.0927 1.0938 1.0936 1.0936 1.0933 1.4662 1.0867 1.4061 1.4069 1.079 1.3911 1.08 1.3892 1.0847 1.0791 1.391 1.0826 1.3916 1.0825 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 7 4 4 11 3 16 7 7 7 8 8 12 2 2 2 6 6 9 6 6 6 10 10 23 7 7 10 8 8 8 9 9 25 3 3 3 7 7 27 6 6 6 29 29 30 6 6 6 32 32 33 9 9 15 14 14 17 3 3 5 15 15 20 15 15 21 4 4 5 17 17 22 18 18 22 1 1 20 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 35 11 16 16 19 19 8 12 13 12 13 13 6 9 11 9 11 11 10 23 24 23 24 24 10 14 14 9 25 26 25 26 26 7 27 28 27 28 28 29 30 31 30 31 31 32 33 34 33 34 34 15 36 36 17 18 18 5 37 37 20 38 38 21 39 39 5 40 40 22 41 41 22 42 42 20 21 21 108.9699 120.3501 109.1301 130.1379 102.7951 102.8438 102.1348 108.5826 113.8525 109.9633 113.0366 109.0367 109.8472 115.2347 108.7005 102.5994 111.3734 109.0122 105.9918 111.3718 110.2677 112.3034 110.4921 106.4726 108.1549 122.2062 129.4884 105.5365 111.9082 111.0021 109.9356 112.303 106.2586 111.4671 107.1455 108.1718 111.6001 109.3306 109.0262 110.7111 111.8237 109.5093 107.5808 108.8475 108.2823 110.1076 112.5684 110.4827 107.13 107.8798 108.5049 129.9169 115.9569 114.0563 124.5958 118.0836 117.3172 110.5606 122.8794 126.5587 121.4369 120.3804 118.1671 121.9252 119.1454 118.9284 114.6589 121.7532 123.587 119.4831 120.564 119.9514 119.0525 120.8212 120.126 119.6036 119.6218 120.7729 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 35 35 35 11 16 4 4 4 16 16 16 4 4 11 11 3 3 19 19 16 16 8 8 8 12 12 12 13 13 13 7 7 7 12 12 12 13 13 13 7 7 7 8 8 8 13 13 13 7 7 7 8 8 8 12 12 12 2 2 6 6 11 11 2 2 2 6 6 6 9 9 9 6 6 6 23 23 23 24 24 24 7 7 7 14 14 14 7 7 10 10 9 9 36 36 14 14 18 18 14 14 17 17 15 15 38 38 15 15 39 39 17 17 41 41 18 18 42 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 14 14 14 14 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 7 7 7 4 4 11 11 11 11 11 11 16 16 16 16 19 19 16 16 19 19 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 14 14 14 14 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 6 9 11 19 19 7 27 28 7 27 28 5 37 5 37 5 40 3 37 4 40 2 9 11 2 9 11 2 9 11 10 23 24 10 23 24 10 23 24 29 30 31 29 30 31 29 30 31 32 33 34 32 33 34 32 33 34 10 14 10 14 10 14 3 27 28 3 27 28 3 27 28 9 25 26 9 25 26 9 25 26 8 25 26 8 25 26 15 36 15 36 17 18 17 18 20 38 20 38 21 39 21 39 22 41 22 41 22 42 22 42 1 21 1 21 1 20 1 160.5473 -84.2075 38.4585 -174.3987 -0.7992 62.0969 -175.5399 -58.1312 -109.9845 12.3787 129.7874 1.1506 -179.2268 173.9216 -6.4557 0.2172 -179.4569 -0.9459 179.4487 0.4457 -179.887 162.1464 39.1141 -77.3691 45.9967 -77.0356 166.4812 -75.6648 161.3029 44.8197 -33.9321 -156.3501 85.6741 81.212 -41.206 -159.1818 -156.6771 80.9049 -37.0709 -65.2131 54.7377 174.7628 -176.1951 -56.2444 63.7808 59.3499 179.3006 -60.6742 175.3095 -65.2299 56.2467 -68.7285 50.7321 172.2087 53.9001 173.3607 -65.1627 -150.0722 25.8609 -30.7358 145.1973 87.4283 -96.6385 -67.5561 172.6819 51.9875 171.2873 51.5253 -69.1691 58.792 -60.97 178.3356 15.5222 -104.0321 137.437 137.3455 17.7912 -100.7397 -103.9369 136.5088 17.9779 9.7766 130.6266 -111.2952 -165.7638 -44.9138 73.1644 -178.048 -1.3051 -3.0575 173.6855 -18.2503 162.4353 164.9566 -14.3577 179.6662 -1.801 -1.0146 177.5182 -179.3993 0.2312 1.236 -179.1335 0.1218 179.6729 -178.4424 1.1087 -0.5518 179.6236 179.817 -0.0076 -179.8585 0.6085 0.5876 -178.9454 -179.9305 -0.3975 -0.1046 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1934.1668836601 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0509276958 0.000000 8.846442 0.000000 8.688191 2.952332 0.000000 8.850904 2.844657 1.359566 0.000000 8.105545 4.752481 2.194969 2.258380 0.000000 9.207922 2.440013 3.864968 4.534312 5.899394 0.000000 8.468752 1.415013 2.490778 3.040404 4.449472 1.564628 0.000000 8.678209 3.674462 4.252158 5.223425 6.045708 1.545849 2.419625 0.000000 7.002745 2.487801 2.932165 3.561596 4.318324 2.415232 1.530005 2.440283 0.000000 7.161435 3.699550 3.923816 4.844329 5.296059 2.472857 2.465196 1.550670 1.514137 0.000000 9.162016 2.416758 1.455753 2.442896 3.616549 2.578663 1.557359 3.076743 2.513711 3.216151 0.000000 9.103671 2.763538 5.010875 5.405450 6.920980 1.541525 2.522216 2.528462 3.015929 3.147734 3.904012 0.000000 10.715005 3.148046 4.383853 5.028451 6.562884 1.531780 2.594756 2.566945 3.807152 3.832217 2.958887 2.502604 0.000000 6.032459 2.900923 3.250679 3.494888 4.035060 3.624174 2.513028 3.744709 1.338471 2.581021 3.376762 3.908632 5.000270 0.000000 4.568212 4.333955 4.421997 4.654808 4.642048 4.864735 3.927794 4.676592 2.541568 3.243015 4.708244 4.993471 6.317072 1.466154 0.000000 8.228225 4.166789 1.347690 2.205813 1.322700 4.853979 3.544095 4.876194 3.490435 4.269391 2.542614 6.027628 5.478832 3.597490 4.403320 0.000000 4.022600 5.375234 5.120292 5.629438 5.238620 5.359332 4.664993 4.753542 3.145160 3.206664 5.310334 5.589455 6.821804 2.543148 1.406063 4.861131 0.000000 4.018222 5.001904 5.289293 5.192765 5.185759 5.959791 4.940243 5.965380 3.734728 4.594773 5.756888 5.880614 7.388912 2.463933 1.406873 5.267919 2.402482 0.000000 8.484317 4.035715 2.098663 1.325750 1.357011 5.670038 4.136953 6.154007 4.284193 5.527828 3.491183 6.531877 6.267625 3.917236 4.744843 2.094997 5.650387 5.105764 0.000000 2.728939 6.680815 6.392569 6.824648 6.205371 6.704011 6.043191 6.038802 4.524531 4.505386 6.679956 6.819322 8.182540 3.809994 2.439783 5.996136 1.391113 2.778048 6.679860 0.000000 2.729668 6.382213 6.531629 6.468686 6.164235 7.195733 6.259866 7.038640 4.956316 5.586464 7.043547 7.060205 8.663393 3.759306 2.444661 6.335619 2.787788 1.389235 6.225815 2.419199 0.000000 1.759110 7.100364 6.999493 7.180181 6.612927 7.504947 6.716090 7.057713 5.263698 5.537183 7.430371 7.459540 9.002331 4.273572 2.809110 6.643839 2.403123 2.396720 6.925700 1.391049 1.391629 0.000000 8.989830 4.488593 5.341608 6.280711 7.112166 2.193660 3.374667 1.091911 3.307001 2.209529 4.142546 2.649083 3.005925 4.523810 5.294195 5.947459 5.234236 6.552330 7.221550 6.408239 7.529713 7.454976 0.000000 9.274825 4.207579 4.153999 5.295787 5.933020 2.181639 2.870009 1.094432 3.061403 2.188743 2.951325 3.455854 2.665362 4.374013 5.314213 4.663027 5.290118 6.655333 6.183857 6.570487 7.719626 7.671316 1.751503 0.000000 6.602581 4.307083 4.886790 5.684534 6.105346 3.107635 3.272152 2.206294 2.149277 1.094111 4.244327 3.294549 4.537223 2.849335 3.124602 5.188110 2.902397 4.390480 6.312471 4.040734 5.220815 5.064110 2.393878 3.012726 0.000000 7.026115 4.474103 3.959022 5.041852 5.038052 3.332411 3.162615 2.195852 2.179704 1.095315 3.455453 4.204715 4.510124 3.036682 3.448495 3.971547 3.078702 4.855287 5.535326 4.299310 5.717637 5.477865 2.830115 2.348269 1.751523 0.000000 9.233733 3.366878 2.059654 3.311825 3.925942 2.776171 2.205110 2.738434 2.780878 2.970932 1.089771 4.256992 3.103878 3.804576 4.967268 2.655209 5.285270 6.166843 4.146584 6.632114 7.359760 7.549190 3.782246 2.277744 4.063041 2.941139 0.000000 10.195778 2.604280 2.073004 2.707361 4.205347 2.882242 2.176605 3.676094 3.459103 4.135643 1.090099 4.167787 2.705951 4.305605 5.697171 3.255687 6.372432 6.665327 3.881000 7.745480 7.990433 8.454422 4.654046 3.469060 5.141480 4.443740 1.774955 0.000000 9.615344 2.481739 5.165012 5.307373 7.085799 2.180313 2.802744 3.483471 3.572036 4.046372 4.147498 1.090275 2.742291 4.268386 5.441532 6.314377 6.243096 6.146120 6.494350 7.465852 7.382874 7.958108 3.700367 4.311329 4.245567 5.092945 4.719442 4.212752 0.000000 8.109323 2.978489 5.140374 5.489544 6.819273 2.196075 2.734233 2.762320 2.670709 2.839873 4.248103 1.092724 3.471731 3.317568 4.192397 6.018352 4.780650 5.013107 6.476755 5.928455 6.117439 6.502756 2.862685 3.821167 2.697323 3.934358 4.597938 4.727430 1.761378 0.000000 9.723545 3.815880 5.941435 6.427761 7.893941 2.167672 3.477580 2.788830 3.907485 3.678489 4.725215 1.093773 2.736458 4.865729 5.835678 6.924672 6.266125 6.756694 7.567045 7.436191 7.855052 8.145025 2.481593 3.657838 3.682383 4.686128 4.915129 4.920009 1.776379 1.772074 0.000000 11.271641 4.066721 5.446512 6.113753 7.610789 2.166607 3.533509 2.886500 4.566829 4.328658 4.007360 2.688021 1.093628 5.788541 7.018397 6.492386 7.421944 8.106535 7.348238 8.739389 9.330468 9.600902 2.922782 3.012847 4.867538 5.029448 4.015735 3.775388 3.002883 3.713787 2.464225 0.000000 11.033041 3.674560 4.124034 4.942979 6.266829 2.197283 2.921413 2.785702 4.104060 4.039049 2.700720 3.477089 1.093581 5.335834 6.642348 5.107870 7.049575 7.790496 6.115480 8.421982 9.055022 9.322839 3.351788 2.437901 4.899707 4.473857 2.588111 2.339695 3.783729 4.348064 3.718588 1.759678 0.000000 11.147770 2.864118 4.465205 4.832823 6.645955 2.171109 2.820570 3.508060 4.234268 4.587137 3.179678 2.785914 1.093307 5.260100 6.658984 5.701737 7.351506 7.587622 6.139643 8.717813 8.918279 9.410861 3.988538 3.680339 5.277524 5.321279 3.625827 2.657098 2.578414 3.783849 3.153491 1.767918 1.774876 0.000000 8.846108 0.971436 2.479834 2.009034 4.066810 3.267445 1.959498 4.372113 2.860392 4.224965 2.423031 3.728629 3.865537 2.985744 4.382876 3.685018 5.509108 4.923354 3.188682 6.779550 6.310078 7.111133 5.279085 4.775469 4.897917 4.842944 3.480379 2.578544 3.424201 3.867412 4.783754 4.861153 4.203626 3.512891 0.000000 6.512457 2.504692 3.114012 2.924803 3.823083 3.964870 2.648784 4.442084 2.060515 3.507355 3.449808 4.168395 5.187331 1.086710 2.151628 3.636034 3.445749 2.598301 3.363935 4.583544 3.983422 4.787007 5.267599 5.047696 3.840871 4.011406 4.137088 4.211297 4.251768 3.679293 5.217976 6.055529 5.560709 5.222057 2.338523 0.000000 8.222632 4.815436 2.135306 3.233986 2.148061 4.997075 3.916762 4.696883 3.693082 4.088203 2.881547 6.269260 5.619739 3.982495 4.630341 1.079049 4.776294 5.654828 3.151953 5.871447 6.613680 6.699072 5.715272 4.322784 5.016134 3.540309 2.559604 3.664362 6.715179 6.258092 7.061141 6.548820 5.135234 6.025596 4.496897 4.283341 0.000000 4.854892 5.370315 4.915280 5.666134 5.244660 4.932680 4.413144 4.075204 2.929679 2.555747 4.929804 5.353417 6.332531 2.798483 2.163189 4.629387 1.080000 3.392140 5.790294 2.126028 3.867159 3.370878 4.531720 4.489192 2.343417 2.180457 4.703557 6.005464 6.135550 4.667848 5.936788 6.882433 6.460763 6.988223 5.583444 3.833114 4.342122 0.000000 4.866054 4.652538 5.215465 4.852920 5.154191 6.013478 4.895536 6.289734 3.958372 5.070882 5.740003 5.852608 7.356728 2.648084 2.154597 5.365046 3.388715 1.084693 4.799961 3.862696 2.136434 3.376034 6.928001 7.004058 4.970798 5.462245 6.324523 6.530911 5.923494 5.052458 6.799643 8.119472 7.813151 7.397770 4.475170 2.327433 5.936572 4.297167 0.000000 8.708975 4.644992 3.138417 2.104256 2.150854 6.533419 4.985103 7.114941 5.122406 6.448974 4.473675 7.258038 7.124543 4.567605 5.268244 3.137412 6.271774 5.355992 1.079119 7.184556 6.398307 7.235467 8.165144 7.208790 7.160263 6.505366 5.197176 4.766390 7.108118 7.159548 8.323095 8.205304 7.037108 6.886533 3.722752 3.846743 4.165198 6.554314 4.891862 0.000000 2.862358 7.519492 7.076933 7.641975 6.867228 7.275358 6.745938 6.412493 5.221306 4.924761 7.303204 7.449107 8.723876 4.693235 3.420584 6.581192 2.153821 3.860591 7.482637 1.082629 3.397195 2.147295 6.684091 6.858290 4.411526 4.555355 7.109845 8.385212 8.190336 6.585982 7.964175 9.214202 8.901739 9.355035 7.659330 5.547504 6.293796 2.451587 4.945194 8.041943 0.000000 2.866411 7.042070 7.298885 7.072533 6.804148 8.061543 7.085072 8.015256 5.872912 6.599688 7.884434 7.831983 9.507855 4.618472 3.425548 7.124353 3.870255 2.154706 6.755192 3.398196 1.082487 2.149550 8.503892 8.723479 6.228161 6.775822 8.281363 8.781923 8.051041 6.880385 8.642336 10.185870 9.939714 9.680765 6.910065 4.652820 7.487508 4.949505 2.468621 6.766126 4.287544 0.000000 C17H20ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4156445 0.1464607 0.1222606 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 612 RedAO= T EigKep= 1.05D-06 NBF= 612 NBsUse= 609 1.00D-06 EigRej= 8.00D-07 NBFU= 609 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 628 626 627 628 628 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1359.82316591368 -1359.82316591367 0.000000000011 -1359.82316591 2 1.354833245853e+03 -7.053410012510e+03 2.404637644779e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3774052475 LenY= 3773649885 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 42. Will process 43 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 12986 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 3774873600 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 810000000 NMat= 126 IRICut= 315 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 126 NMatS0= 126 NMatT0= 0 NMatD0= 126 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 80.30% of shell-pairs survive, threshold= 0.20 IRatSp=80. There are 129 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 126 vectors produced by pass 0 Test12= 4.41D-14 1.00D-09 XBig12= 3.52D+02 1.34D+01. AX will form 126 AO Fock derivatives at one time. 126 vectors produced by pass 1 Test12= 4.41D-14 1.00D-09 XBig12= 7.46D+01 1.46D+00. 126 vectors produced by pass 2 Test12= 4.41D-14 1.00D-09 XBig12= 7.18D-01 7.69D-02. 126 vectors produced by pass 3 Test12= 4.41D-14 1.00D-09 XBig12= 4.27D-03 4.29D-03. 126 vectors produced by pass 4 Test12= 4.41D-14 1.00D-09 XBig12= 1.14D-05 2.70D-04. 113 vectors produced by pass 5 Test12= 4.41D-14 1.00D-09 XBig12= 1.88D-08 1.02D-05. 40 vectors produced by pass 6 Test12= 4.41D-14 1.00D-09 XBig12= 2.43D-11 3.47D-07. 3 vectors produced by pass 7 Test12= 4.41D-14 1.00D-09 XBig12= 2.53D-14 1.44D-08. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 786 with 129 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 240.63 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 321.743 -21.256 203.852 -1.391 15.531 196.305 436.907 -32.853 295.261 -1.816 38.168 345.486 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT101509.700S Sat Aug 14 08:37:50 2021 1.13779156e+00 -6.74927384e-01 -8.03091640e-01 3.21743431e+02 -2.12562902e+01 2.03851541e+02 -1.39061449e+00 1.55306070e+01 1.96305029e+02 -2.9551 -0.0017 -0.0014 -0.0005 2.2686 3.9704 14.6002 29.2205 48.6448 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 14.5805 29.2135 48.6438 58.6954 77.6178 94.5941 118.7470 137.6525 157.5683 177.3908 200.4820 220.4468 241.0950 252.8219 266.0509 307.9467 321.6220 338.8739 344.0380 361.8739 375.7559 400.6776 420.5762 421.5608 432.0785 482.7359 525.4348 532.8838 558.1071 597.6396 606.4868 632.4029 652.0177 662.6316 687.4241 694.1645 726.9836 740.8720 772.8338 801.7505 827.6082 830.4441 840.0242 856.5342 878.9367 902.3678 905.6431 920.3236 936.7732 963.6045 965.7237 974.9319 977.6537 986.9933 1004.7644 1014.4615 1020.8537 1027.8548 1035.7834 1052.7324 1102.6346 1105.2159 1136.9518 1141.7627 1153.1430 1168.1281 1200.7595 1217.7361 1222.6700 1233.9148 1241.9196 1249.5468 1259.1083 1278.2457 1309.3671 1311.0791 1316.1865 1332.0008 1338.5471 1345.8145 1362.6004 1379.0355 1404.1171 1405.8144 1417.1576 1432.9460 1442.4726 1472.6997 1479.5685 1482.8662 1491.3481 1497.2647 1514.6443 1518.4575 1521.6889 1523.1001 1536.7278 1597.9963 1631.3471 1713.9004 3012.8395 3020.8718 3028.5835 3032.7574 3049.0431 3074.9917 3079.5447 3084.2368 3091.9034 3093.9194 3119.9666 3133.1721 3140.1446 3167.0198 3192.1477 3198.4715 3224.3955 3246.4859 3250.5048 3650.4426 4.5146 6.3548 4.5266 7.2046 4.4633 5.0882 4.2304 4.6680 3.0395 3.1284 4.6034 4.3394 1.1930 4.5612 1.8019 3.5093 1.6658 4.6416 3.9667 4.2652 2.4632 2.7441 2.9578 3.1929 4.3906 2.8353 3.2336 2.3387 1.9185 1.7835 2.5640 4.4256 4.8869 4.0129 4.3762 4.3896 3.7969 5.1781 4.3264 1.7137 1.8416 1.2731 3.0874 1.4370 2.1706 1.4091 1.7659 2.0782 1.8302 1.3892 1.5660 5.8584 1.3655 1.7403 2.0861 2.4144 2.3576 3.7346 3.2657 2.3761 3.6698 3.1311 1.5411 1.7200 1.6138 1.8653 1.8874 1.1820 1.6459 1.9495 2.7405 2.0642 2.8479 1.7589 1.6694 3.5524 3.9689 1.4623 1.6949 1.9979 1.3487 2.8383 1.5774 1.3007 1.3264 1.3106 2.0579 2.3292 1.1112 1.1718 1.1391 1.0550 1.0717 1.0994 1.0643 2.2650 3.5111 6.3727 5.4990 8.0666 1.0657 1.0360 1.0470 1.0581 1.0949 1.0689 1.0962 1.0933 1.1009 1.1016 1.1002 1.1072 1.0866 1.0892 1.0905 1.0940 1.0914 1.0959 1.1013 1.0676 0.0006 0.0032 0.0063 0.0146 0.0158 0.0268 0.0351 0.0521 0.0445 0.0580 0.1090 0.1242 0.0409 0.1718 0.0751 0.1961 0.1015 0.3140 0.2766 0.3291 0.2049 0.2596 0.3083 0.3343 0.4829 0.3893 0.5260 0.3913 0.3521 0.3753 0.5557 1.0428 1.2241 1.0381 1.2184 1.2462 1.1823 1.6746 1.5225 0.6490 0.7432 0.5173 1.2836 0.6211 0.9880 0.6760 0.8534 1.0371 0.9463 0.7600 0.8605 3.2808 0.7690 0.9988 1.2409 1.4640 1.4476 2.3247 2.0643 1.5515 2.6288 2.2534 1.1737 1.3211 1.2644 1.4996 1.6034 1.0327 1.4497 1.7488 2.4904 1.8989 2.6602 1.6933 1.6863 3.5977 4.0509 1.5286 1.7892 2.1321 1.4754 3.1803 1.8323 1.5146 1.5695 1.5855 2.5229 2.9763 1.4332 1.5181 1.4927 1.3935 1.4486 1.4936 1.4521 3.0958 4.8852 9.5880 8.6224 13.9609 5.6996 5.5704 5.6580 5.7339 5.9970 5.9551 6.1250 6.1275 6.2006 6.2127 6.3097 6.4037 6.3125 6.4365 6.5469 6.5941 6.6852 6.8053 6.8561 8.3820 0.0859 0.0620 0.5317 0.0273 0.3100 0.3112 1.9137 0.1718 0.6595 0.1074 0.7138 0.0407 0.6935 0.4107 1.3980 0.3097 1.9153 0.1200 4.0795 3.7405 2.4623 1.4118 0.3666 6.7363 11.5392 2.2917 5.1562 16.5505 16.8829 58.3040 22.6506 1.6388 0.9311 8.1829 43.1291 2.8747 0.0339 10.6232 2.8986 3.1997 24.2021 0.9789 15.4235 13.9865 2.1442 5.7029 11.7512 10.0452 6.5438 0.0987 2.9712 8.6856 0.2834 0.6898 2.0380 7.8440 2.8252 26.3642 19.2874 15.3389 25.3993 57.9988 1.2968 19.5557 7.2283 28.5950 3.4922 0.9135 36.9591 6.3087 5.1208 2.1124 26.1152 16.3680 6.9911 36.1001 3.1384 0.6866 10.6102 6.1650 6.8500 21.7762 6.8093 6.2498 19.1861 34.0946 8.2045 24.5241 7.1823 2.0236 1.8492 3.3161 5.0398 2.9754 18.5752 83.5955 58.4278 0.4961 8.4481 0.2499 13.7028 25.8364 31.3219 33.5241 13.9326 25.5816 13.7183 46.4465 27.9142 35.4012 15.6291 5.7148 4.4849 7.3534 2.4284 3.6182 3.4967 1.8013 1.2145 246.0553 0.00 0.11 -0.01 0.01 -0.03 -0.01 -0.06 -0.01 0.03 -0.05 -0.02 0.04 -0.13 -0.05 0.08 0.07 0.01 -0.03 0.02 -0.02 -0.01 0.06 -0.01 -0.02 0.02 -0.06 0.00 0.03 -0.09 0.03 -0.03 0.01 -0.00 0.12 -0.02 -0.03 0.06 0.06 -0.05 0.01 -0.04 -0.03 0.01 -0.03 -0.02 -0.11 -0.03 0.06 -0.00 -0.19 0.05 0.02 0.16 -0.09 -0.09 -0.05 0.07 -0.01 -0.15 0.06 0.02 0.21 -0.09 0.01 0.05 -0.01 0.12 -0.01 -0.04 0.02 0.04 -0.02 0.09 -0.13 0.08 -0.04 -0.14 0.03 -0.03 0.03 -0.01 -0.03 0.04 -0.01 0.13 -0.01 -0.03 0.12 -0.05 -0.00 0.15 -0.00 -0.04 0.10 0.08 -0.06 0.03 0.08 -0.05 0.06 0.08 -0.06 -0.00 -0.03 0.01 0.01 -0.00 -0.06 -0.13 -0.02 0.06 -0.02 -0.35 0.11 0.04 0.29 -0.15 -0.09 -0.06 0.08 -0.02 -0.28 0.12 0.03 0.36 -0.15 0.04 0.16 -0.07 0.07 0.01 0.01 -0.07 -0.03 -0.03 -0.12 -0.02 -0.04 -0.22 -0.15 -0.05 0.05 0.00 0.01 0.04 -0.01 0.02 0.02 -0.01 0.02 0.03 -0.02 0.05 0.03 0.02 0.02 -0.01 0.00 -0.01 0.09 -0.00 0.02 0.05 0.03 -0.03 0.04 -0.06 0.10 0.04 -0.04 0.08 -0.13 -0.11 -0.04 0.05 0.13 -0.00 0.03 -0.18 0.13 -0.20 -0.09 -0.06 0.06 0.19 -0.05 0.03 -0.13 0.08 0.04 0.06 -0.01 0.01 -0.01 0.04 0.02 -0.04 0.01 0.01 0.03 -0.03 0.07 0.06 0.03 0.00 -0.02 -0.00 -0.02 0.05 -0.01 0.09 0.01 0.01 0.09 -0.02 0.03 0.10 0.01 0.02 0.06 0.03 -0.05 0.02 0.04 -0.03 0.06 0.03 -0.03 0.02 0.00 0.01 0.04 -0.10 0.12 -0.12 -0.14 -0.03 0.07 0.24 -0.03 0.01 -0.31 0.19 -0.26 -0.10 -0.07 0.07 0.33 -0.11 0.02 -0.23 0.11 -0.00 -0.01 -0.06 0.03 0.06 -0.05 -0.02 0.00 -0.04 0.25 0.07 -0.06 -0.07 -0.00 0.16 -0.00 0.00 0.01 -0.01 0.01 -0.03 -0.05 -0.07 0.06 -0.02 -0.02 0.02 -0.05 -0.07 0.07 -0.07 -0.02 -0.10 0.05 0.05 0.07 -0.01 0.01 -0.05 -0.01 0.01 0.01 -0.01 -0.00 0.01 -0.21 -0.04 0.10 0.01 0.03 -0.01 -0.03 -0.04 0.01 0.21 0.07 0.06 0.01 0.02 -0.03 -0.02 -0.04 -0.01 -0.01 -0.01 -0.03 -0.05 -0.08 0.12 -0.08 -0.12 0.02 -0.05 -0.05 0.11 -0.06 -0.11 0.05 -0.18 -0.04 -0.10 -0.03 -0.04 -0.21 0.09 0.10 0.04 0.06 0.05 0.12 0.05 0.04 0.11 0.00 0.01 -0.01 -0.05 -0.03 -0.10 0.02 0.07 -0.10 0.13 0.08 -0.09 -0.00 0.04 -0.01 -0.44 -0.10 0.15 0.02 0.06 -0.01 -0.04 -0.06 0.03 0.39 0.12 0.08 0.02 0.05 -0.05 -0.04 -0.07 -0.01 -0.05 0.15 -0.08 -0.00 0.01 -0.01 -0.07 0.01 -0.00 -0.07 -0.01 0.01 0.23 0.24 -0.07 0.04 0.02 -0.01 -0.02 -0.01 -0.00 0.02 -0.03 0.02 -0.03 -0.08 0.04 -0.01 -0.09 0.05 -0.09 0.00 -0.03 0.14 0.01 0.02 0.04 0.10 -0.07 -0.04 -0.15 0.08 -0.04 -0.18 0.09 0.13 0.17 -0.06 -0.04 -0.16 0.08 -0.05 -0.19 0.08 0.10 0.12 -0.03 -0.04 -0.09 0.04 -0.05 -0.11 0.05 -0.05 -0.04 0.01 0.06 -0.03 0.04 -0.03 -0.03 -0.01 0.03 -0.12 0.06 -0.04 -0.10 0.05 -0.14 0.00 -0.03 -0.07 -0.00 -0.09 0.16 0.05 -0.01 0.15 -0.04 0.06 0.18 0.03 0.01 0.08 0.11 -0.06 -0.02 0.09 -0.10 0.05 0.15 -0.10 -0.04 0.01 -0.02 -0.05 -0.14 0.08 0.18 0.23 -0.09 -0.03 -0.18 0.09 -0.06 -0.22 0.10 0.14 0.13 -0.03 -0.03 -0.04 0.02 -0.06 -0.10 0.03 -0.03 0.11 0.04 -0.08 0.03 -0.00 0.04 0.02 -0.01 0.13 0.09 -0.04 -0.06 -0.06 0.01 -0.00 0.02 0.03 -0.00 0.03 -0.01 0.11 0.07 -0.05 0.02 0.01 -0.08 0.11 0.08 -0.15 0.04 0.02 0.01 -0.14 0.00 -0.04 0.01 0.00 0.20 -0.01 -0.09 -0.04 -0.01 -0.12 -0.02 -0.07 -0.07 0.02 -0.04 -0.13 0.00 0.02 -0.11 0.00 0.07 0.04 -0.03 -0.05 -0.09 0.03 0.01 -0.07 0.03 -0.02 -0.03 0.03 0.11 0.08 -0.09 0.19 0.10 0.01 0.09 0.07 -0.26 0.18 0.15 -0.14 0.09 0.02 0.01 0.03 0.02 0.06 -0.25 -0.02 0.02 -0.16 0.00 -0.17 -0.12 0.01 -0.02 0.01 -0.00 0.22 0.11 0.02 0.25 -0.09 -0.02 0.26 -0.01 0.04 -0.02 -0.03 -0.14 0.00 -0.15 -0.14 0.06 -0.06 -0.15 -0.01 0.04 -0.12 -0.00 0.11 0.08 -0.05 -0.08 -0.08 0.04 0.04 -0.04 0.04 -0.03 0.03 0.14 -0.10 0.01 -0.03 -0.02 0.00 0.02 -0.05 -0.05 0.04 0.01 0.03 0.05 0.05 0.00 0.05 -0.02 -0.01 -0.03 0.08 -0.11 0.07 0.01 -0.07 -0.10 0.05 -0.17 -0.00 -0.01 -0.00 -0.01 0.09 0.05 0.10 0.05 0.07 0.07 -0.00 0.00 -0.19 -0.01 0.01 -0.17 0.02 0.05 0.02 -0.07 0.09 -0.17 0.05 -0.06 -0.08 -0.03 -0.03 0.06 -0.08 0.12 -0.10 0.05 -0.07 -0.00 -0.02 0.03 -0.01 0.14 -0.12 0.13 0.08 -0.14 0.05 0.08 -0.17 0.07 0.05 -0.28 -0.05 -0.01 0.02 -0.02 -0.01 -0.00 -0.01 0.08 0.12 0.08 0.09 0.02 0.11 0.12 0.05 0.16 0.11 0.09 0.16 0.03 0.02 0.03 0.01 0.17 0.04 -0.10 0.02 -0.05 -0.01 0.07 -0.24 0.05 0.10 -0.00 -0.10 0.14 -0.22 0.11 -0.13 -0.08 -0.05 -0.06 0.09 -0.14 0.19 -0.10 0.10 -0.14 0.07 -0.04 -0.03 0.03 -0.08 -0.11 0.11 -0.02 -0.03 0.07 0.06 0.14 -0.02 0.02 -0.03 -0.11 0.04 -0.00 -0.02 -0.02 -0.05 0.08 0.04 0.05 -0.04 -0.01 -0.05 0.04 0.01 -0.02 0.02 0.00 -0.01 0.16 0.15 -0.11 -0.08 0.04 0.09 -0.07 -0.02 -0.03 0.01 -0.03 0.02 -0.02 -0.04 -0.13 0.02 -0.03 0.06 -0.03 -0.03 0.02 -0.02 0.09 0.13 -0.13 -0.04 0.08 -0.03 -0.03 0.03 -0.01 -0.03 0.04 -0.02 0.09 0.06 -0.11 -0.00 0.14 -0.02 0.05 -0.06 0.02 -0.04 -0.01 0.03 0.12 -0.01 0.16 -0.03 0.03 0.26 0.15 -0.16 -0.07 0.15 -0.20 -0.06 0.21 -0.07 -0.17 0.09 0.12 -0.15 -0.01 0.16 -0.05 0.05 0.06 -0.06 -0.04 -0.11 0.15 -0.03 -0.04 0.02 -0.10 -0.28 0.07 -0.03 0.07 -0.04 -0.02 0.00 -0.01 0.16 0.26 -0.22 -0.04 0.10 -0.04 -0.02 0.01 -0.00 -0.05 0.07 -0.02 -0.04 0.02 0.02 0.20 0.06 0.02 0.09 0.04 0.03 -0.04 -0.15 0.00 -0.01 0.04 -0.02 0.02 0.06 -0.01 -0.08 0.00 0.03 0.00 0.10 -0.03 -0.07 0.00 0.06 0.16 0.04 0.08 0.08 0.08 0.05 -0.02 0.00 -0.17 -0.02 0.12 -0.07 -0.03 -0.01 -0.03 0.12 -0.06 0.02 -0.04 -0.07 -0.00 -0.03 -0.07 -0.01 -0.05 -0.08 0.01 -0.05 -0.11 0.03 -0.03 -0.11 0.02 -0.04 -0.09 0.02 -0.08 -0.00 0.06 -0.12 -0.02 -0.00 -0.05 0.03 0.19 -0.13 -0.09 0.04 0.27 0.05 0.08 0.13 -0.02 0.21 0.21 0.08 -0.01 0.09 0.14 0.18 0.00 0.06 0.02 -0.06 -0.01 -0.18 -0.09 -0.04 -0.23 0.10 0.01 -0.23 -0.02 0.02 0.03 -0.05 0.19 -0.12 0.18 -0.09 0.02 -0.06 -0.06 -0.01 -0.03 -0.06 -0.01 -0.17 -0.11 0.00 -0.05 -0.12 0.03 -0.02 -0.12 0.04 -0.07 -0.04 0.02 0.03 0.03 0.00 0.05 -0.03 -0.03 0.03 -0.08 -0.01 0.02 -0.05 0.03 0.03 0.01 0.02 0.01 0.00 0.02 0.01 -0.03 0.04 0.00 0.01 0.02 0.07 0.17 -0.13 0.02 -0.04 -0.03 0.12 0.03 0.07 0.03 0.06 -0.04 -0.03 -0.10 0.07 -0.04 -0.03 0.02 0.04 -0.01 -0.01 -0.05 0.01 0.00 -0.06 0.03 -0.01 0.01 -0.08 0.03 -0.05 0.05 -0.01 -0.06 0.08 -0.04 -0.07 0.05 -0.02 -0.14 -0.04 0.17 0.12 -0.22 0.01 -0.08 0.23 -0.40 0.31 0.37 -0.11 -0.02 -0.07 -0.02 0.03 -0.06 -0.07 0.13 0.09 0.04 0.12 -0.01 0.09 0.16 0.04 0.10 0.06 0.07 0.00 -0.01 0.02 -0.08 0.05 0.12 -0.07 0.03 0.04 -0.03 -0.05 -0.20 0.15 0.06 0.02 -0.03 -0.05 -0.00 0.01 -0.07 0.03 -0.01 -0.00 -0.12 0.05 -0.05 0.05 -0.02 -0.06 0.11 -0.05 0.07 0.02 0.02 -0.10 -0.04 0.02 -0.08 0.01 0.06 -0.05 0.07 0.03 -0.01 0.05 -0.02 -0.04 -0.03 0.02 -0.02 -0.02 0.00 -0.08 -0.11 0.05 0.01 0.01 -0.05 0.00 0.10 -0.11 -0.03 0.03 0.06 0.01 0.04 0.10 -0.05 -0.09 -0.12 0.02 -0.02 -0.02 0.04 -0.02 -0.03 -0.05 0.00 0.03 0.04 -0.04 -0.02 0.06 -0.01 -0.02 -0.01 0.10 -0.02 0.05 -0.06 -0.00 0.07 -0.01 -0.01 0.07 -0.03 0.00 -0.23 -0.13 0.22 0.02 -0.33 0.02 -0.15 0.19 -0.30 0.22 0.23 -0.12 0.02 0.05 0.05 -0.04 0.06 0.10 0.08 0.09 0.06 0.02 0.08 0.17 -0.03 0.02 0.14 -0.11 -0.10 -0.24 -0.11 -0.04 -0.11 0.07 -0.19 -0.13 -0.08 -0.04 0.04 0.02 -0.08 0.02 -0.07 -0.04 0.05 0.04 -0.03 -0.03 0.08 0.00 -0.04 0.03 0.15 -0.06 0.03 -0.07 0.01 0.07 0.01 -0.02 -0.09 0.02 0.07 0.28 0.02 0.03 -0.06 0.02 0.03 -0.04 0.05 0.01 -0.01 0.05 -0.02 0.05 -0.02 0.02 0.11 0.01 0.05 0.02 0.03 0.02 0.07 0.02 0.10 0.04 0.05 0.08 0.00 0.04 -0.00 -0.02 -0.01 0.02 0.04 -0.22 -0.03 -0.00 0.01 0.00 -0.01 -0.03 -0.09 -0.04 0.02 0.01 -0.04 -0.03 -0.09 -0.02 -0.05 -0.10 -0.01 0.07 -0.02 -0.06 -0.01 -0.08 -0.02 -0.04 -0.08 -0.06 -0.02 -0.07 0.01 0.04 -0.02 0.01 0.06 0.03 0.04 0.05 0.08 0.02 0.09 0.11 -0.05 0.04 0.00 0.02 0.08 -0.07 0.02 -0.06 0.01 -0.02 0.08 0.03 -0.11 -0.04 -0.00 -0.14 -0.25 -0.35 0.09 -0.02 0.11 0.17 -0.55 0.06 0.14 -0.00 0.06 -0.09 0.06 0.00 -0.05 -0.01 0.02 -0.07 -0.05 -0.10 -0.03 -0.05 -0.09 0.01 0.10 -0.03 -0.07 -0.01 -0.08 -0.00 -0.05 -0.06 0.00 0.07 0.00 0.08 -0.04 0.05 -0.09 -0.10 -0.02 -0.03 -0.11 -0.02 0.05 0.01 0.00 -0.01 -0.01 0.02 -0.01 -0.03 0.06 -0.04 0.02 0.02 -0.01 0.06 0.06 -0.00 0.14 -0.01 -0.07 -0.07 -0.02 0.05 -0.09 -0.03 -0.01 0.14 0.05 -0.00 0.19 -0.07 0.01 0.14 -0.09 -0.05 -0.04 -0.01 0.01 0.02 -0.05 0.01 0.03 -0.05 0.06 -0.04 -0.00 0.01 -0.15 0.03 0.02 -0.14 0.02 0.01 -0.16 0.04 -0.14 0.02 0.05 0.00 -0.05 0.01 -0.08 0.18 -0.13 0.10 0.26 0.01 -0.14 -0.13 -0.01 -0.05 -0.03 -0.11 -0.02 -0.09 0.00 0.05 -0.22 -0.07 0.17 -0.04 -0.06 0.13 0.18 0.22 -0.05 0.06 -0.01 -0.11 0.33 0.01 0.06 -0.04 0.06 -0.03 0.23 -0.08 -0.09 -0.02 -0.01 -0.00 0.07 -0.07 0.01 0.07 -0.07 0.13 -0.02 0.01 0.00 -0.20 0.05 0.02 -0.19 0.04 0.00 0.00 0.02 0.05 -0.04 -0.00 -0.00 0.00 0.02 -0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.01 -0.02 0.01 -0.01 0.00 0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 0.01 -0.03 0.03 0.01 -0.01 0.03 0.02 -0.00 -0.02 0.02 0.00 -0.03 -0.01 -0.00 -0.01 0.01 0.01 -0.02 -0.01 0.00 -0.02 -0.01 -0.00 0.01 -0.01 0.01 0.00 -0.03 0.01 0.01 -0.03 0.01 0.01 -0.03 -0.02 0.01 -0.03 -0.03 0.02 -0.01 -0.01 0.01 0.01 -0.02 0.02 0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 0.31 -0.18 -0.07 -0.01 0.36 0.28 -0.39 -0.07 -0.17 0.06 0.02 0.41 -0.02 -0.26 -0.18 -0.07 0.39 -0.12 0.02 -0.05 0.03 -0.02 -0.03 0.03 -0.00 -0.02 0.01 0.01 -0.02 -0.01 0.00 -0.02 -0.01 -0.00 0.03 -0.02 0.01 0.01 -0.03 0.00 0.01 -0.03 0.07 0.03 0.13 -0.05 0.08 0.04 0.04 -0.00 -0.03 0.03 -0.04 -0.02 0.01 -0.03 0.01 -0.07 0.04 0.01 -0.05 0.03 0.05 -0.10 0.08 0.01 -0.03 0.02 0.09 -0.10 0.04 0.10 -0.02 -0.03 -0.00 -0.05 -0.02 -0.04 -0.08 0.10 -0.05 -0.04 -0.07 0.11 0.02 -0.13 -0.03 0.03 0.00 -0.02 0.07 -0.09 -0.08 0.02 -0.08 -0.07 0.01 -0.05 0.01 0.06 -0.01 -0.15 0.04 0.01 -0.14 0.08 0.02 -0.15 -0.07 0.08 -0.03 -0.14 0.12 0.01 -0.07 0.02 0.15 -0.17 0.03 0.11 -0.05 -0.07 0.01 -0.01 -0.06 -0.02 -0.32 0.12 0.04 -0.06 -0.29 -0.26 0.25 0.07 0.07 -0.03 0.12 -0.10 -0.14 0.14 -0.05 -0.06 0.10 -0.06 -0.00 0.10 -0.02 -0.11 -0.09 0.15 0.04 0.03 -0.03 0.09 -0.10 -0.05 0.01 -0.10 -0.06 -0.01 -0.08 0.03 0.07 0.02 -0.17 0.01 0.03 -0.18 -0.02 -0.01 -0.01 0.12 -0.04 -0.04 0.03 0.04 0.05 -0.01 0.08 0.04 -0.02 -0.00 -0.02 -0.01 -0.03 -0.03 0.02 -0.01 -0.04 -0.04 -0.10 0.01 0.01 -0.00 -0.01 -0.02 -0.02 -0.00 0.03 0.03 0.01 -0.04 -0.02 -0.02 -0.01 0.05 0.02 0.01 -0.01 -0.00 0.00 -0.01 0.01 0.02 -0.00 0.03 -0.01 -0.00 0.01 -0.00 -0.01 0.00 -0.04 0.05 -0.01 -0.01 0.01 0.00 -0.00 0.01 -0.00 -0.01 0.01 0.00 -0.11 -0.11 0.11 -0.04 -0.21 -0.04 -0.07 0.03 -0.02 0.03 -0.00 -0.01 0.04 0.09 -0.00 0.03 0.01 0.03 -0.39 0.20 0.07 -0.06 -0.33 -0.32 0.32 0.06 0.18 0.10 0.06 0.30 -0.03 -0.13 -0.10 -0.10 0.32 -0.06 0.05 -0.06 0.01 0.01 0.01 -0.02 0.05 -0.04 0.03 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.07 0.07 -0.04 -0.01 0.01 0.00 0.00 0.02 -0.00 -0.00 -0.01 -0.02 0.04 0.04 -0.02 -0.11 -0.15 0.10 -0.06 -0.10 0.07 0.11 -0.04 -0.03 0.00 0.06 -0.03 0.02 0.01 -0.02 0.04 0.09 -0.05 0.01 0.01 -0.03 0.01 -0.01 -0.01 0.01 -0.03 0.04 -0.10 0.21 0.05 -0.00 0.04 -0.09 0.01 0.00 -0.03 0.00 -0.02 -0.01 -0.02 -0.15 0.06 -0.02 -0.01 0.00 0.02 -0.01 0.00 0.07 -0.01 -0.02 -0.02 0.02 0.01 0.01 0.01 0.02 -0.01 0.03 0.02 0.13 0.10 -0.13 0.01 0.20 -0.02 0.07 -0.05 0.06 -0.08 -0.06 -0.01 0.04 0.01 0.03 -0.01 0.03 0.07 -0.30 0.44 0.06 -0.12 0.17 -0.13 0.01 0.19 0.33 -0.02 0.02 -0.05 -0.06 -0.04 -0.16 0.07 0.10 -0.16 -0.00 0.03 -0.03 0.00 0.01 -0.03 -0.05 -0.23 0.09 -0.03 -0.04 -0.00 0.03 -0.02 -0.00 0.15 0.08 -0.08 -0.03 0.03 0.02 0.03 0.01 0.03 0.01 -0.01 0.00 0.08 -0.08 -0.03 0.00 -0.01 0.01 0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.03 0.02 -0.02 -0.01 -0.00 -0.03 -0.04 -0.05 0.01 -0.01 0.02 -0.03 -0.03 -0.01 -0.01 0.01 0.01 0.00 -0.02 0.04 0.01 -0.04 0.14 0.06 -0.01 0.00 -0.01 -0.00 -0.03 0.00 0.01 -0.02 0.00 -0.00 -0.02 0.00 0.00 -0.02 0.01 0.01 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.02 -0.00 0.00 0.03 -0.01 -0.07 -0.06 0.08 -0.04 -0.12 -0.02 -0.05 0.01 0.01 -0.02 -0.02 -0.02 0.06 0.03 -0.00 -0.00 0.02 0.05 0.14 -0.04 -0.03 -0.01 0.18 0.14 -0.17 -0.00 -0.06 0.03 0.21 -0.39 -0.02 0.55 0.35 -0.13 -0.24 0.29 0.03 -0.09 0.05 -0.01 0.02 -0.02 0.01 -0.03 0.01 -0.01 -0.03 0.00 0.01 -0.03 0.01 0.01 0.01 -0.01 -0.01 0.02 -0.00 0.01 0.02 -0.00 0.04 -0.06 -0.08 0.02 0.02 0.08 -0.03 -0.01 -0.06 0.00 -0.04 -0.05 -0.01 0.04 0.02 -0.02 -0.00 0.05 0.02 0.03 0.07 -0.05 0.02 0.05 0.04 0.08 0.01 -0.01 0.07 0.05 0.03 0.01 0.02 0.00 -0.10 -0.02 -0.03 0.00 -0.02 -0.02 0.05 -0.10 0.00 -0.14 -0.10 -0.05 0.04 -0.03 -0.10 -0.15 -0.05 0.12 -0.11 -0.02 0.02 -0.02 0.01 -0.12 0.11 0.07 0.09 0.09 0.11 -0.01 0.20 0.11 -0.09 0.02 0.05 -0.04 0.00 0.05 -0.04 0.10 0.09 -0.03 0.06 0.06 0.09 -0.06 0.05 0.01 0.09 0.06 -0.01 -0.17 0.02 0.00 -0.15 -0.03 0.04 -0.06 -0.11 -0.02 0.00 0.06 -0.10 -0.08 -0.11 0.01 0.11 -0.10 0.02 0.02 0.06 -0.12 0.14 -0.14 -0.08 0.08 -0.04 -0.22 -0.26 -0.09 0.26 -0.19 -0.05 0.05 -0.04 0.05 -0.26 0.15 0.12 0.20 0.12 0.19 0.05 -0.00 -0.02 0.04 0.26 -0.10 0.05 -0.01 0.15 -0.02 0.08 0.12 0.03 -0.07 -0.04 -0.03 -0.01 0.02 -0.04 -0.00 -0.00 -0.02 -0.00 0.00 -0.04 -0.05 0.02 -0.02 -0.01 -0.02 -0.08 -0.06 -0.06 0.04 -0.12 -0.04 -0.03 0.01 0.01 -0.04 -0.04 -0.01 -0.02 0.00 -0.05 0.09 -0.10 0.09 -0.04 0.01 -0.04 0.02 0.02 -0.02 -0.04 0.04 -0.02 -0.03 -0.00 0.02 0.02 0.00 0.05 0.01 -0.01 0.06 -0.01 -0.00 -0.00 -0.00 0.00 0.02 -0.04 -0.01 -0.09 0.02 0.05 -0.01 -0.35 0.05 -0.09 0.00 -0.21 -0.26 0.21 -0.29 -0.06 0.05 -0.04 0.11 -0.08 -0.12 -0.24 -0.02 0.03 -0.08 -0.04 0.09 0.06 -0.03 -0.06 0.05 -0.04 0.27 -0.23 -0.04 -0.05 -0.01 0.16 -0.20 0.11 -0.06 0.01 -0.06 0.07 0.02 -0.05 -0.10 0.10 -0.10 -0.09 0.01 0.05 0.04 0.01 0.06 -0.06 -0.01 0.04 -0.07 0.12 -0.09 -0.10 -0.08 0.04 -0.07 -0.06 0.03 0.05 0.02 -0.00 0.00 -0.03 -0.01 0.05 0.03 -0.07 -0.05 -0.05 0.01 0.04 0.13 -0.10 -0.03 0.03 0.00 0.11 0.04 0.01 0.10 -0.12 -0.04 0.01 -0.05 0.08 0.06 0.12 -0.03 0.04 -0.03 0.10 -0.06 -0.06 0.03 0.06 -0.05 0.10 -0.03 -0.08 0.07 0.04 0.02 -0.00 0.06 0.01 -0.04 -0.03 0.02 -0.09 -0.01 0.08 -0.12 -0.13 -0.05 0.06 -0.05 -0.11 -0.02 -0.04 0.08 0.12 -0.05 -0.08 -0.04 0.30 0.10 -0.01 0.04 0.17 0.18 0.19 -0.19 -0.05 0.11 -0.17 0.06 0.12 -0.08 -0.17 0.03 -0.05 0.16 0.10 -0.07 0.10 -0.07 -0.02 0.11 -0.06 0.13 -0.16 0.09 0.18 -0.09 -0.10 -0.08 0.05 0.10 -0.07 0.13 -0.12 -0.13 0.13 0.11 0.06 -0.02 0.15 -0.01 -0.07 -0.07 0.02 -0.12 0.05 -0.00 0.00 0.03 -0.08 -0.04 0.02 0.01 0.02 0.00 0.02 0.01 -0.01 -0.01 -0.01 -0.03 -0.01 -0.03 -0.03 -0.02 -0.03 -0.04 0.11 -0.08 -0.05 0.02 -0.02 -0.07 0.05 -0.03 -0.04 -0.01 -0.03 0.17 0.05 0.10 -0.02 -0.10 0.12 -0.04 0.02 -0.01 -0.03 -0.02 -0.01 0.01 -0.01 0.01 -0.02 -0.03 -0.01 -0.01 -0.02 0.01 -0.01 0.01 -0.01 -0.02 0.00 -0.01 -0.00 0.01 0.01 0.01 0.03 -0.00 0.01 0.13 -0.26 -0.05 0.27 -0.01 -0.02 0.00 0.01 -0.14 0.03 -0.01 -0.11 0.02 -0.04 -0.01 -0.07 -0.08 0.20 0.29 0.00 0.19 -0.16 0.21 0.38 0.10 0.23 -0.08 -0.13 0.23 0.17 -0.15 0.16 -0.14 -0.10 0.18 -0.01 -0.10 0.03 -0.05 0.02 -0.01 0.02 -0.02 0.01 -0.02 -0.05 -0.00 0.01 -0.04 0.00 -0.02 0.02 -0.02 -0.04 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.01 0.02 -0.03 -0.08 0.05 0.04 0.03 0.03 0.01 0.04 0.03 -0.01 -0.03 -0.02 0.03 0.02 0.02 -0.02 -0.01 0.03 0.07 -0.00 0.02 -0.01 0.01 0.00 0.07 0.01 -0.01 -0.13 -0.06 -0.08 -0.04 0.02 -0.01 0.03 0.01 -0.05 0.01 0.15 -0.10 -0.01 0.01 0.05 0.05 -0.01 0.01 0.02 -0.09 0.08 -0.03 -0.07 0.07 -0.03 0.01 -0.01 0.03 0.03 -0.03 -0.02 -0.00 -0.02 0.00 0.12 -0.09 0.05 -0.01 0.06 0.09 -0.05 0.02 0.06 -0.00 -0.10 0.12 0.06 -0.01 -0.50 -0.09 -0.07 -0.00 -0.18 -0.42 -0.09 -0.02 0.02 -0.05 0.06 -0.07 -0.07 0.00 -0.00 -0.01 -0.00 -0.09 -0.02 -0.00 -0.07 0.11 -0.01 -0.08 0.01 -0.08 0.10 0.03 0.29 -0.20 0.08 -0.05 0.02 0.06 -0.18 0.14 -0.06 -0.15 0.12 -0.07 0.01 -0.03 0.07 -0.01 -0.03 -0.06 -0.07 -0.02 0.02 0.00 0.01 0.01 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.02 0.02 0.01 0.01 0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.01 0.02 -0.01 0.00 -0.00 0.00 -0.19 0.09 -0.02 0.20 -0.07 0.00 -0.00 0.00 0.00 0.18 -0.09 -0.01 -0.19 0.07 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.02 -0.01 0.01 0.02 -0.01 -0.04 0.01 0.02 -0.01 0.09 0.02 0.01 -0.00 0.03 0.08 0.01 -0.01 0.00 0.00 -0.02 0.02 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.03 0.00 -0.01 -0.01 0.01 -0.01 -0.00 0.01 -0.02 -0.00 0.00 -0.01 -0.01 0.01 -0.00 0.01 -0.42 0.19 -0.04 0.43 -0.16 0.01 -0.00 0.01 0.01 0.39 -0.18 -0.03 -0.41 0.15 0.07 0.01 0.02 0.13 0.02 -0.03 -0.00 0.01 -0.03 0.01 -0.00 -0.03 -0.01 0.02 0.01 -0.08 -0.06 0.11 -0.03 -0.02 0.01 0.09 0.06 0.02 -0.05 -0.01 -0.08 0.07 -0.05 -0.08 0.05 0.01 0.04 -0.02 -0.12 0.12 -0.12 0.03 -0.08 -0.05 0.01 -0.08 -0.08 0.02 0.04 -0.02 0.03 -0.01 -0.02 0.03 0.02 -0.08 -0.02 0.07 0.00 -0.00 0.01 0.00 -0.04 -0.02 -0.06 0.02 -0.02 0.01 0.01 -0.04 0.23 0.08 -0.20 0.18 0.28 0.17 0.12 -0.11 -0.09 0.08 -0.11 -0.11 0.24 0.04 0.03 -0.02 0.06 0.23 0.01 -0.12 0.11 -0.01 -0.17 0.16 0.02 -0.09 0.08 -0.06 0.06 -0.14 -0.34 0.03 -0.18 0.03 0.11 -0.19 -0.00 0.01 -0.01 0.00 0.01 -0.10 -0.03 0.06 -0.02 0.04 0.06 0.06 -0.10 -0.07 0.10 0.01 -0.02 0.03 0.01 -0.08 -0.01 -0.13 0.02 -0.07 0.18 0.01 0.03 0.02 0.02 0.01 -0.02 -0.02 -0.01 -0.01 -0.04 -0.01 0.02 -0.00 0.01 0.09 0.08 -0.06 -0.01 0.04 -0.00 0.00 -0.08 0.04 -0.07 -0.01 0.04 0.01 -0.01 0.03 0.03 0.02 0.05 0.01 0.07 -0.15 0.14 -0.06 0.03 -0.14 0.02 -0.05 -0.17 0.00 0.01 -0.02 -0.02 -0.00 -0.10 0.00 -0.02 -0.14 -0.00 0.05 0.02 -0.01 0.00 -0.07 -0.03 -0.04 -0.12 0.02 0.01 0.01 0.00 -0.02 -0.09 -0.12 0.31 -0.04 -0.34 -0.11 -0.05 0.01 -0.09 0.10 0.06 0.03 0.17 0.00 0.05 -0.01 0.05 0.18 -0.05 -0.02 -0.09 -0.01 0.14 -0.23 -0.06 0.06 -0.19 0.00 -0.12 0.13 0.30 -0.15 0.03 0.11 -0.09 0.05 -0.05 0.01 0.02 -0.15 0.11 -0.10 -0.03 -0.02 -0.00 -0.04 0.04 0.02 -0.13 -0.02 0.05 0.05 -0.01 0.01 -0.12 -0.04 -0.02 -0.20 0.01 -0.05 0.03 0.01 -0.00 -0.03 -0.10 0.00 -0.01 -0.01 0.03 -0.02 -0.01 0.03 0.02 -0.01 -0.02 0.00 0.03 0.06 0.05 0.06 -0.03 0.02 0.02 0.09 0.04 0.21 -0.14 0.04 0.03 0.03 0.01 0.03 -0.11 -0.00 -0.05 0.01 0.00 0.00 -0.02 -0.02 -0.06 0.03 -0.03 -0.09 0.03 -0.00 -0.04 0.02 -0.03 0.03 -0.02 -0.03 0.04 -0.02 0.01 0.01 -0.01 -0.03 0.03 -0.02 -0.03 0.02 -0.00 -0.01 -0.11 0.05 0.00 0.02 0.11 0.05 -0.01 0.09 0.10 0.06 0.35 -0.08 -0.30 -0.07 -0.29 0.01 -0.11 0.10 0.02 -0.40 -0.05 -0.15 0.06 -0.01 -0.11 -0.05 0.04 -0.02 -0.10 -0.04 -0.01 -0.04 -0.06 -0.03 -0.06 0.10 0.00 -0.06 -0.08 -0.12 0.14 -0.06 -0.20 0.15 -0.02 -0.08 0.04 -0.02 0.15 -0.06 -0.03 0.19 -0.08 0.02 0.04 -0.04 -0.04 0.16 -0.06 -0.04 0.14 -0.06 -0.04 0.00 -0.00 0.09 0.04 0.12 -0.00 -0.00 -0.01 0.01 -0.02 -0.01 0.01 -0.01 0.00 -0.08 0.13 -0.03 -0.06 0.07 0.08 0.00 -0.02 -0.00 -0.03 -0.02 -0.07 0.01 -0.08 -0.08 -0.06 -0.02 0.08 0.07 0.06 -0.10 -0.12 -0.04 0.03 -0.00 0.01 -0.09 0.02 -0.11 0.07 0.00 -0.00 -0.01 0.04 0.01 0.03 0.04 0.02 0.03 0.01 -0.02 0.00 0.05 0.04 -0.02 0.04 0.04 -0.02 0.02 -0.11 0.03 0.06 -0.04 0.20 0.02 -0.16 -0.06 0.01 -0.08 -0.08 0.02 -0.10 -0.09 -0.10 -0.11 0.10 -0.05 -0.04 0.03 0.13 0.02 -0.11 0.08 -0.08 -0.00 0.17 0.13 -0.23 -0.32 -0.12 0.12 0.04 -0.17 0.01 -0.09 -0.08 0.03 0.27 0.07 0.11 0.06 0.08 -0.17 0.00 -0.00 -0.02 0.07 0.20 -0.03 0.03 0.19 -0.05 0.01 -0.03 0.01 0.07 0.23 -0.11 0.03 0.22 -0.11 -0.01 -0.01 0.00 0.04 0.00 0.05 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.03 0.08 0.00 -0.02 0.04 0.02 0.01 -0.02 0.03 -0.01 0.06 -0.09 0.01 -0.03 -0.04 -0.02 0.01 0.01 0.03 0.02 -0.05 -0.05 -0.02 0.01 -0.01 -0.10 0.06 0.00 0.17 -0.08 -0.00 -0.01 -0.00 0.01 0.00 -0.01 0.01 0.00 -0.01 0.01 -0.01 -0.00 0.01 -0.06 0.03 0.01 -0.06 0.03 0.00 0.15 -0.06 0.01 -0.03 0.16 0.02 -0.12 -0.01 0.08 -0.04 0.17 -0.08 -0.25 -0.11 -0.06 -0.03 0.02 0.00 -0.00 -0.04 0.04 -0.03 -0.04 0.03 -0.06 -0.02 0.08 0.06 -0.14 -0.15 -0.06 0.05 0.01 -0.08 -0.01 -0.01 -0.04 0.00 0.12 0.01 0.06 0.03 -0.35 0.24 -0.01 -0.02 0.00 0.00 -0.27 0.09 0.01 -0.24 0.10 0.01 -0.01 -0.00 0.01 -0.35 0.15 0.02 -0.34 0.15 0.03 0.00 0.00 -0.02 0.06 0.10 -0.01 -0.00 0.00 0.00 0.02 -0.01 -0.01 0.01 -0.00 0.01 -0.11 -0.05 0.05 -0.02 0.06 -0.03 -0.05 -0.11 0.06 0.05 -0.05 -0.00 0.00 -0.03 -0.01 -0.03 0.03 -0.01 -0.01 0.03 0.03 0.02 -0.00 0.03 -0.01 -0.02 -0.01 -0.00 0.01 0.01 0.02 -0.01 -0.04 0.01 0.02 -0.03 0.00 0.01 -0.02 0.00 0.00 -0.03 -0.00 -0.01 -0.03 -0.00 -0.01 -0.02 -0.01 -0.01 -0.09 -0.05 -0.16 -0.02 -0.04 -0.10 0.04 0.02 0.16 -0.14 -0.12 -0.04 -0.13 -0.09 0.05 0.04 0.01 -0.13 0.01 0.12 -0.02 -0.01 0.08 0.06 -0.07 -0.06 0.19 0.19 0.08 -0.02 -0.00 0.11 0.05 -0.10 0.05 0.04 0.75 0.17 -0.11 0.06 -0.09 0.03 0.01 0.03 -0.01 -0.04 0.01 0.02 -0.06 0.02 0.01 -0.04 -0.01 0.01 -0.03 0.01 -0.02 -0.05 0.01 -0.03 0.01 0.00 0.00 -0.07 -0.06 -0.06 -0.01 0.00 0.02 -0.01 -0.01 0.02 0.02 -0.01 -0.01 -0.04 0.04 0.00 0.00 0.02 -0.06 0.06 0.00 0.04 0.00 -0.04 0.09 0.06 -0.00 0.06 0.03 0.06 -0.04 0.01 0.01 -0.02 -0.10 -0.01 0.00 0.01 0.02 0.04 0.00 -0.00 -0.02 0.00 -0.02 0.01 -0.00 -0.00 -0.02 -0.02 -0.01 -0.03 -0.00 -0.01 -0.00 -0.01 0.00 0.01 -0.02 0.00 0.01 -0.01 0.01 0.01 0.09 0.00 0.05 0.06 0.01 0.05 0.03 -0.01 -0.10 0.14 0.13 0.09 0.08 0.10 -0.05 0.02 0.07 -0.01 0.05 -0.02 -0.03 0.02 -0.07 0.03 0.07 0.04 -0.10 -0.16 -0.03 0.01 -0.09 -0.04 -0.02 -0.07 -0.02 -0.01 0.85 0.05 -0.12 0.03 0.12 -0.03 0.00 -0.05 0.01 -0.02 -0.02 -0.03 -0.01 -0.03 -0.02 -0.02 0.00 -0.01 -0.03 -0.01 0.02 -0.00 -0.01 0.02 -0.03 -0.00 -0.00 0.03 -0.03 -0.06 -0.02 -0.01 0.01 0.02 0.02 -0.01 -0.01 -0.00 0.00 0.07 0.04 0.08 -0.06 -0.03 -0.03 -0.05 0.08 0.11 -0.11 0.02 -0.09 -0.12 0.01 -0.05 -0.05 -0.03 0.05 -0.02 -0.03 0.03 0.18 0.00 -0.01 -0.05 0.01 -0.00 -0.01 -0.01 -0.00 0.02 0.02 -0.01 0.03 -0.02 -0.01 0.04 0.00 0.01 -0.02 -0.01 0.01 0.04 0.00 -0.01 0.04 0.01 0.01 0.04 -0.00 0.01 0.01 0.09 0.04 -0.07 0.14 0.13 -0.13 0.01 -0.08 -0.00 -0.06 -0.11 0.09 -0.00 0.04 -0.09 -0.05 0.18 -0.12 -0.15 0.11 -0.04 0.03 -0.12 -0.08 -0.03 -0.04 0.11 -0.02 -0.03 0.15 -0.03 -0.04 0.28 -0.02 -0.04 0.69 0.05 -0.12 0.02 -0.09 0.05 0.06 0.04 -0.02 0.05 0.02 -0.01 0.07 0.02 -0.01 -0.04 -0.02 0.01 0.03 0.04 -0.02 0.05 0.03 0.00 -0.02 0.00 0.01 0.02 0.02 -0.08 -0.02 -0.02 0.00 0.04 0.03 -0.02 -0.03 -0.01 0.01 -0.01 -0.06 -0.06 -0.11 -0.04 -0.01 0.11 -0.07 -0.06 -0.05 0.16 -0.00 0.13 0.04 0.04 -0.10 -0.10 0.10 0.01 0.01 -0.02 -0.01 -0.01 -0.01 -0.06 0.09 0.09 0.00 -0.04 -0.07 0.03 0.03 -0.01 0.17 -0.07 -0.11 -0.11 -0.08 -0.12 -0.01 -0.00 0.01 0.14 0.07 0.10 -0.12 0.06 0.09 0.01 0.00 0.08 -0.04 -0.08 0.02 0.16 -0.19 -0.08 0.25 -0.01 0.27 -0.04 -0.21 -0.01 0.09 -0.07 0.09 -0.16 -0.14 0.31 0.04 0.11 -0.07 0.01 0.06 0.03 -0.02 -0.02 0.09 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.04 -0.01 -0.00 -0.09 0.01 -0.09 -0.13 -0.02 0.20 0.09 0.09 -0.04 0.11 -0.06 -0.16 -0.02 -0.04 -0.18 -0.02 -0.01 0.02 0.05 0.14 0.11 -0.05 0.15 0.10 -0.00 -0.01 -0.02 -0.00 -0.01 -0.11 -0.10 -0.07 0.03 0.09 0.06 -0.03 -0.06 -0.04 0.02 -0.01 -0.03 -0.04 -0.08 -0.04 -0.03 0.09 -0.03 -0.01 0.00 0.11 0.03 0.13 0.07 0.09 -0.10 -0.07 0.08 0.01 0.02 -0.03 -0.05 -0.01 -0.01 -0.02 0.03 0.06 -0.02 0.02 0.06 0.09 0.06 -0.03 -0.18 0.03 0.08 0.16 0.05 0.13 -0.01 -0.01 0.00 -0.16 -0.05 -0.14 0.20 -0.02 -0.09 0.02 -0.04 -0.05 -0.06 -0.04 0.07 0.13 -0.15 -0.04 0.21 0.05 0.28 -0.04 -0.09 0.07 0.10 -0.03 0.07 -0.16 -0.06 0.28 0.04 0.07 -0.06 0.01 0.03 0.02 0.01 0.01 0.02 -0.07 -0.02 0.01 -0.03 -0.03 -0.01 -0.05 -0.01 -0.01 -0.05 -0.01 -0.10 -0.06 -0.06 0.14 0.28 0.20 -0.10 -0.10 0.04 0.13 0.11 0.07 0.15 0.00 -0.00 0.00 -0.11 -0.04 -0.17 0.14 -0.01 -0.14 -0.03 -0.00 -0.01 0.01 0.00 -0.02 0.22 0.14 -0.08 -0.13 -0.06 0.03 0.12 0.12 -0.05 0.00 -0.04 -0.03 -0.08 -0.01 0.01 0.05 -0.03 -0.03 -0.05 0.06 0.02 0.06 0.02 0.03 0.00 -0.06 0.02 -0.00 -0.01 0.01 0.02 -0.00 -0.01 -0.08 0.03 0.03 -0.04 0.00 0.01 -0.18 -0.10 0.07 -0.02 -0.01 -0.01 0.07 0.02 0.07 -0.04 -0.00 0.01 -0.01 -0.02 -0.06 0.09 0.01 0.00 0.05 -0.01 -0.00 -0.04 -0.04 -0.02 0.07 -0.08 -0.04 0.11 -0.01 0.10 -0.02 -0.06 0.02 0.07 -0.06 0.02 0.00 -0.22 0.10 0.01 0.05 -0.02 -0.00 0.04 0.02 -0.03 -0.04 0.08 0.05 0.01 -0.02 0.03 0.01 0.00 0.00 -0.01 0.00 0.12 0.02 -0.06 -0.09 -0.03 0.08 -0.60 -0.37 0.20 0.04 0.01 0.03 0.11 0.02 0.05 -0.12 -0.07 0.05 -0.03 0.00 -0.07 0.06 0.02 -0.03 0.07 0.00 0.01 0.01 -0.00 -0.05 -0.01 -0.01 -0.00 0.11 0.09 -0.04 0.14 0.11 -0.05 -0.00 0.06 0.03 -0.02 -0.05 -0.00 -0.01 0.03 0.05 0.05 -0.02 -0.04 -0.04 -0.01 -0.04 -0.07 -0.07 0.06 0.01 0.03 -0.02 -0.01 0.01 0.01 0.16 0.05 0.05 0.13 0.03 0.00 -0.07 -0.04 0.02 -0.08 0.01 0.10 -0.04 -0.08 -0.12 -0.15 -0.10 0.05 -0.09 0.06 0.07 -0.05 -0.02 -0.11 -0.15 -0.04 0.00 0.05 0.03 0.08 -0.01 0.03 0.05 -0.04 0.01 0.01 -0.03 -0.05 -0.05 0.02 -0.07 0.06 -0.10 -0.08 0.15 -0.01 -0.05 0.01 0.01 -0.01 -0.05 0.02 0.05 -0.10 -0.10 -0.03 0.01 0.01 -0.04 -0.01 0.05 -0.02 -0.01 -0.14 -0.02 -0.05 0.20 -0.05 0.11 -0.25 -0.16 0.08 -0.22 -0.05 0.01 -0.18 -0.06 -0.06 -0.45 -0.32 0.16 -0.01 0.10 0.02 0.05 0.06 -0.07 -0.05 -0.00 -0.00 -0.01 -0.00 0.03 -0.13 -0.06 0.05 0.20 0.11 -0.05 0.17 0.07 -0.06 0.00 -0.03 -0.02 0.05 0.04 -0.01 -0.01 -0.02 -0.03 -0.00 0.00 0.02 0.02 0.02 0.04 0.00 0.11 -0.04 -0.01 -0.02 0.02 -0.01 -0.01 -0.00 -0.11 -0.06 -0.07 -0.10 -0.03 0.00 -0.02 -0.05 0.00 0.06 0.00 -0.07 0.01 0.07 0.08 -0.15 -0.15 0.05 0.07 -0.05 -0.05 0.02 0.01 0.09 0.11 0.04 -0.01 -0.05 -0.01 -0.05 -0.02 -0.01 -0.03 0.01 0.02 0.01 0.02 0.06 0.06 -0.04 0.12 -0.04 0.01 0.24 -0.12 0.01 0.02 -0.00 -0.00 -0.01 0.04 -0.00 -0.03 0.06 0.06 0.02 0.01 -0.02 0.02 0.01 -0.06 0.02 0.01 -0.10 -0.02 0.07 -0.14 0.03 -0.12 -0.06 -0.13 0.04 0.17 0.05 -0.01 0.11 0.06 0.04 -0.52 -0.40 0.16 0.01 -0.09 0.00 -0.06 -0.07 0.07 -0.01 0.00 -0.00 -0.00 0.00 0.04 -0.03 0.01 0.01 0.02 -0.02 0.00 0.02 -0.03 -0.00 0.00 -0.00 -0.00 0.01 0.03 -0.00 0.01 -0.02 -0.03 -0.04 -0.02 0.02 -0.02 -0.03 -0.04 0.00 0.11 -0.04 -0.01 -0.02 0.02 0.01 -0.00 -0.00 -0.02 0.02 0.05 -0.02 0.24 -0.10 0.01 -0.02 -0.01 0.00 -0.14 0.03 0.01 -0.12 0.07 0.01 -0.02 -0.00 -0.00 0.14 -0.08 0.01 0.15 -0.05 0.03 -0.23 0.10 -0.00 -0.03 -0.00 0.02 -0.04 -0.03 0.03 -0.07 -0.03 -0.04 -0.04 -0.04 -0.01 0.13 -0.05 0.01 0.14 -0.07 -0.00 -0.02 0.02 -0.01 -0.02 0.03 -0.01 -0.02 0.03 0.03 0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 -0.02 -0.00 0.06 -0.00 -0.12 0.15 0.04 -0.04 -0.01 0.01 -0.47 0.16 0.04 -0.46 0.21 0.00 -0.02 -0.01 -0.03 0.24 -0.12 -0.00 0.25 -0.10 0.02 -0.00 -0.00 0.03 0.02 0.05 -0.02 0.11 0.00 0.03 -0.10 0.01 0.06 -0.11 -0.01 0.00 -0.02 -0.02 -0.10 0.13 -0.03 0.04 -0.09 -0.11 -0.08 0.03 0.02 -0.02 -0.06 -0.07 -0.19 0.31 0.02 -0.04 -0.09 0.10 0.09 -0.02 -0.01 0.00 0.10 0.13 0.05 -0.08 0.04 0.02 -0.07 -0.06 -0.04 0.05 0.02 0.03 -0.00 -0.09 0.08 -0.09 -0.01 -0.04 -0.03 0.06 0.05 -0.08 -0.05 -0.07 0.07 -0.03 0.03 -0.09 -0.11 0.06 -0.07 -0.10 -0.00 -0.08 -0.10 -0.04 -0.05 -0.06 -0.10 0.34 0.01 -0.20 0.27 0.09 -0.02 -0.07 0.09 -0.03 -0.10 0.13 -0.03 -0.10 0.12 0.12 -0.01 0.00 0.06 -0.01 -0.02 0.10 0.01 -0.03 -0.04 -0.01 0.18 -0.01 0.14 0.10 0.07 -0.17 -0.03 -0.10 0.18 -0.08 -0.02 0.16 -0.14 0.11 -0.05 -0.04 -0.00 -0.02 0.04 0.13 -0.04 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.10 -0.04 -0.09 0.02 0.01 0.06 -0.01 -0.02 0.06 -0.00 -0.01 -0.01 0.00 0.02 -0.01 0.00 0.08 -0.07 -0.02 -0.15 0.08 0.03 -0.08 -0.14 -0.13 0.21 -0.09 -0.12 0.01 0.02 -0.03 -0.00 0.01 -0.00 -0.04 0.17 0.24 -0.00 -0.02 0.01 -0.00 0.02 0.04 -0.03 -0.03 -0.04 0.04 -0.02 -0.03 -0.05 0.04 0.00 -0.05 -0.04 -0.02 0.06 -0.03 0.00 0.01 0.05 -0.00 0.30 -0.07 -0.07 0.07 0.06 0.03 -0.11 -0.16 -0.34 0.14 -0.11 -0.19 0.08 -0.10 -0.12 0.23 -0.01 -0.22 0.02 0.05 -0.04 0.01 0.05 -0.03 -0.00 0.01 0.00 -0.01 0.01 -0.02 0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.07 0.01 0.07 -0.08 0.18 0.24 0.03 0.11 0.01 -0.04 0.16 -0.13 0.06 0.12 -0.10 -0.09 0.01 0.02 -0.10 0.09 -0.05 0.10 0.07 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 0.03 -0.00 0.00 -0.02 -0.00 0.01 -0.02 0.00 0.01 -0.10 -0.03 0.01 -0.01 0.00 -0.01 -0.05 0.12 0.02 0.06 -0.05 0.00 -0.04 0.05 -0.06 0.04 0.04 0.03 0.05 -0.09 -0.04 -0.03 -0.01 0.01 0.00 0.00 -0.00 0.02 -0.01 -0.00 -0.01 -0.02 -0.00 -0.03 -0.00 -0.00 0.00 0.01 0.02 -0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.01 0.01 0.00 0.00 0.27 0.00 -0.31 -0.13 0.42 0.27 -0.26 0.15 -0.20 0.41 0.06 -0.04 -0.09 0.04 0.04 -0.05 0.03 -0.00 0.02 0.12 -0.11 0.03 0.13 -0.12 -0.02 0.01 0.01 0.15 0.04 0.02 -0.06 0.07 0.05 -0.21 0.04 0.04 -0.06 0.01 -0.02 0.00 -0.11 0.09 -0.02 -0.04 -0.00 0.01 0.07 -0.03 -0.00 -0.02 0.02 0.02 -0.01 -0.00 -0.02 0.07 -0.04 -0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.00 -0.02 0.01 0.02 -0.00 -0.00 -0.01 0.00 0.01 -0.01 -0.00 0.01 0.02 0.02 0.03 -0.04 0.01 -0.01 0.02 -0.00 0.05 -0.05 0.02 -0.02 0.00 -0.03 -0.03 0.03 0.01 0.00 0.01 0.01 -0.02 0.00 0.01 0.07 0.05 0.00 -0.00 0.07 -0.03 -0.00 -0.00 -0.01 -0.01 -0.08 -0.04 -0.02 -0.06 0.08 0.01 -0.01 0.00 -0.03 -0.07 -0.06 -0.04 -0.05 0.09 0.04 0.07 -0.02 -0.03 0.01 0.08 0.02 -0.06 -0.02 0.03 -0.01 0.07 -0.10 -0.06 -0.03 -0.01 0.04 0.01 -0.04 0.03 0.02 -0.01 -0.04 0.02 -0.00 -0.01 -0.01 0.01 0.02 -0.04 -0.05 -0.01 0.00 -0.03 -0.01 -0.01 0.02 -0.00 -0.01 -0.02 0.00 -0.06 0.10 -0.26 0.23 -0.00 -0.02 -0.00 0.01 0.24 -0.16 0.00 0.49 -0.16 0.02 -0.00 -0.01 -0.12 0.26 -0.15 -0.12 0.49 -0.19 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 0.01 -0.01 0.01 0.00 0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.08 0.02 -0.00 0.06 -0.02 0.00 0.00 0.00 -0.01 -0.08 0.02 -0.01 0.06 -0.02 0.00 0.01 -0.00 -0.02 -0.00 0.03 0.01 -0.04 -0.03 0.01 0.01 0.04 -0.04 -0.02 0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.02 0.02 -0.00 -0.02 0.01 0.00 0.00 -0.01 -0.03 -0.01 -0.00 0.00 -0.01 -0.01 0.03 -0.01 -0.01 0.00 -0.00 -0.01 0.02 0.01 -0.01 0.01 0.01 -0.00 -0.00 0.50 -0.20 0.01 -0.37 0.16 -0.00 -0.00 0.00 -0.03 0.53 -0.22 -0.01 -0.39 0.17 -0.01 0.00 -0.00 -0.01 -0.00 -0.04 0.01 0.02 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.05 0.02 0.04 0.01 -0.02 -0.00 -0.02 -0.03 0.08 0.02 -0.01 -0.05 -0.04 -0.06 -0.07 -0.02 0.09 -0.01 -0.01 0.03 0.00 0.01 0.01 0.16 0.06 0.11 0.01 -0.09 0.04 0.01 0.01 -0.02 -0.02 0.00 -0.15 -0.03 0.09 0.05 0.01 -0.01 0.00 -0.07 -0.01 -0.16 -0.08 0.09 0.10 0.09 -0.04 0.04 0.11 -0.02 -0.03 -0.02 0.03 -0.02 -0.09 -0.01 -0.07 -0.01 0.01 -0.05 -0.13 -0.08 0.11 -0.04 -0.04 0.02 -0.01 -0.10 0.07 -0.01 -0.07 0.01 0.03 0.03 -0.09 -0.08 -0.02 -0.01 0.00 -0.03 -0.02 0.08 -0.02 -0.02 -0.05 -0.01 -0.02 0.17 0.30 -0.07 -0.10 -0.06 0.02 0.01 -0.32 -0.01 0.03 -0.23 0.17 0.01 -0.02 0.01 -0.23 -0.37 0.07 -0.18 -0.32 0.19 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 0.02 -0.01 0.01 0.01 0.00 0.04 0.02 -0.01 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.14 -0.10 0.05 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.01 0.00 0.01 0.00 -0.00 0.00 0.01 -0.00 -0.02 -0.01 0.01 0.00 -0.01 0.01 -0.00 0.01 0.01 0.00 -0.02 -0.01 0.01 -0.00 -0.02 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 0.74 0.56 -0.28 0.00 -0.02 0.00 -0.00 -0.00 0.01 0.09 0.07 -0.04 -0.01 -0.03 0.01 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.00 -0.03 0.00 -0.00 0.01 -0.01 -0.01 0.02 0.00 -0.03 0.09 -0.01 -0.03 0.12 -0.03 -0.01 -0.10 -0.11 0.05 0.07 -0.03 0.01 -0.04 0.09 0.01 -0.07 0.05 -0.04 -0.04 0.08 0.05 0.04 0.00 -0.01 -0.09 0.01 -0.00 0.07 -0.03 0.00 0.01 0.01 0.00 -0.02 0.02 0.00 -0.03 0.01 -0.01 0.01 0.00 0.01 -0.01 0.02 0.00 -0.03 0.01 -0.01 0.02 -0.01 0.22 -0.08 -0.29 -0.20 0.17 -0.10 -0.27 0.17 -0.15 0.25 0.24 0.13 -0.08 -0.17 0.08 0.04 -0.12 -0.02 0.00 -0.15 0.10 -0.03 -0.18 0.12 0.05 0.03 -0.09 -0.18 -0.05 -0.01 0.16 -0.08 -0.03 0.19 -0.07 -0.01 0.03 -0.02 0.11 -0.01 0.14 -0.16 -0.03 0.02 0.01 0.00 0.05 -0.01 -0.01 0.10 -0.04 -0.01 -0.01 0.02 0.02 0.13 -0.05 -0.00 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.03 0.02 -0.00 0.02 0.02 -0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.02 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.14 -0.10 0.05 -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 0.01 -0.00 -0.01 0.01 0.00 0.01 0.01 0.00 0.05 0.02 -0.02 -0.02 -0.01 0.03 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.02 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.03 0.02 -0.10 -0.08 0.04 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.75 0.55 -0.27 -0.00 -0.01 0.00 -0.00 -0.02 0.01 0.00 -0.00 0.00 -0.01 -0.01 -0.07 0.01 0.01 0.01 -0.00 -0.01 -0.04 0.01 0.00 0.00 0.01 -0.04 -0.03 0.07 0.04 0.01 0.00 0.07 0.05 -0.03 0.01 -0.01 -0.01 -0.01 -0.04 0.02 0.01 0.14 0.00 -0.02 -0.01 -0.02 -0.03 -0.02 -0.02 -0.07 0.08 -0.01 0.05 -0.02 -0.02 0.00 -0.02 0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.01 -0.02 0.01 0.00 -0.02 0.02 0.02 -0.03 -0.00 -0.00 0.02 -0.00 -0.09 0.05 0.19 0.08 -0.11 0.01 0.12 -0.13 -0.03 -0.06 -0.08 -0.06 -0.35 -0.15 0.18 0.13 0.03 -0.25 0.01 0.06 -0.04 0.00 0.02 0.02 -0.01 -0.04 0.07 0.17 0.04 0.02 -0.04 0.07 0.04 -0.19 0.05 0.03 -0.02 -0.01 -0.03 -0.02 0.51 -0.35 -0.02 0.02 -0.03 0.01 -0.00 0.01 0.02 0.00 -0.02 0.12 0.04 -0.00 0.01 0.14 -0.05 0.04 0.19 -0.08 -0.00 0.00 -0.00 -0.02 -0.01 -0.10 0.00 0.01 0.01 -0.01 -0.01 -0.04 0.00 0.00 0.00 0.03 0.03 0.04 0.10 -0.03 0.04 0.03 -0.05 -0.06 -0.01 0.00 0.05 -0.05 -0.02 -0.01 0.04 0.03 0.13 0.01 0.02 0.01 -0.04 0.01 0.03 -0.07 0.08 -0.07 -0.03 -0.04 0.01 -0.01 0.01 -0.02 0.00 0.01 0.03 0.01 -0.01 -0.01 0.00 -0.01 0.01 0.03 0.03 0.03 0.03 0.02 -0.04 -0.01 -0.01 0.00 0.12 -0.05 -0.05 -0.00 -0.01 -0.07 -0.09 0.00 -0.05 -0.04 0.05 0.02 -0.38 -0.11 0.18 0.16 0.07 -0.30 -0.03 -0.10 0.07 0.00 -0.01 -0.06 0.01 0.04 -0.09 -0.12 -0.01 -0.04 -0.13 -0.04 -0.04 0.12 -0.01 -0.04 -0.02 -0.01 -0.16 -0.17 -0.46 0.38 -0.03 0.01 -0.02 0.01 0.05 0.02 0.00 0.02 -0.02 0.07 -0.01 0.02 0.07 -0.11 0.07 0.06 -0.18 0.06 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.00 0.00 -0.00 0.01 0.01 -0.01 0.00 0.02 -0.05 0.13 0.00 -0.04 0.01 0.01 -0.10 -0.06 0.01 0.01 0.01 -0.05 0.06 -0.04 -0.02 0.01 -0.02 0.05 0.10 -0.07 -0.02 -0.01 0.09 -0.02 -0.05 0.03 -0.01 0.01 -0.01 -0.00 -0.00 -0.01 0.00 0.01 0.01 0.00 0.01 -0.01 0.00 -0.00 0.00 0.01 -0.01 0.02 0.01 -0.02 0.00 0.00 0.01 -0.01 -0.04 -0.07 -0.28 0.11 0.07 0.09 0.00 0.07 0.17 -0.23 -0.02 -0.01 0.06 0.07 -0.03 -0.05 0.03 0.05 -0.02 -0.08 0.02 0.04 0.07 -0.19 0.04 0.13 -0.23 -0.01 0.01 -0.16 -0.44 -0.02 -0.09 0.37 0.04 -0.13 0.03 0.00 -0.03 -0.05 0.32 -0.25 0.01 -0.01 -0.01 -0.00 -0.04 0.03 0.01 -0.06 0.02 -0.01 0.00 -0.01 0.03 0.08 -0.03 0.01 0.13 -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 0.01 -0.00 -0.04 -0.02 0.01 -0.01 0.03 -0.01 -0.01 0.01 0.01 -0.00 -0.01 -0.00 0.02 0.00 0.00 0.01 -0.00 0.01 -0.03 0.02 -0.03 0.04 -0.02 0.02 0.01 -0.02 0.01 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 -0.08 0.03 0.00 -0.06 0.02 -0.00 -0.00 -0.00 -0.01 0.07 -0.04 -0.00 0.05 -0.02 -0.00 -0.02 0.01 -0.06 0.01 -0.01 0.02 -0.01 0.02 0.03 0.00 0.02 -0.01 -0.03 -0.00 -0.02 -0.02 0.01 0.01 -0.01 -0.01 0.11 0.06 -0.11 -0.00 -0.13 0.15 0.11 0.08 -0.07 0.18 0.04 -0.07 -0.14 0.04 -0.01 0.09 0.06 -0.04 0.01 -0.01 0.04 0.03 0.07 -0.06 0.00 -0.00 0.01 0.00 0.49 -0.18 -0.01 0.36 -0.16 0.00 -0.01 0.01 -0.01 -0.45 0.18 0.01 -0.32 0.14 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.01 -0.01 -0.01 0.02 -0.01 -0.10 -0.02 0.01 -0.02 0.05 -0.00 -0.04 0.01 0.02 -0.01 -0.03 0.02 0.05 -0.02 -0.00 0.02 -0.00 0.02 -0.08 0.04 -0.04 0.10 -0.04 0.03 0.01 0.04 -0.02 0.01 -0.02 0.01 0.00 0.01 0.01 -0.00 0.05 -0.03 -0.00 0.02 -0.01 -0.00 -0.01 -0.01 -0.00 -0.05 0.01 -0.01 -0.01 0.01 0.00 0.01 -0.00 -0.07 0.01 -0.02 -0.00 0.02 0.04 0.08 -0.06 -0.03 0.05 -0.01 0.00 -0.07 -0.04 0.03 0.05 -0.02 -0.05 0.24 0.12 -0.21 -0.02 -0.30 0.35 0.23 0.17 -0.16 0.34 0.06 -0.11 -0.19 0.08 -0.02 0.17 0.10 -0.07 0.00 -0.01 0.05 0.02 -0.18 0.14 0.01 -0.00 0.01 0.00 -0.30 0.11 -0.00 -0.10 0.05 0.02 -0.02 0.01 -0.02 0.27 -0.12 -0.01 0.06 -0.02 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.05 0.01 -0.15 -0.13 0.17 -0.03 0.27 -0.27 0.22 -0.02 0.01 -0.01 0.02 -0.00 0.01 0.00 0.01 0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.03 -0.03 -0.03 0.00 -0.01 0.02 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.10 -0.19 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.08 0.19 0.18 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.04 0.00 0.05 -0.01 -0.01 -0.02 -0.02 -0.01 -0.03 0.04 0.01 -0.00 0.06 -0.14 0.00 -0.02 0.05 -0.01 0.07 0.05 -0.07 -0.01 -0.09 0.12 0.07 0.04 -0.02 0.06 0.01 -0.02 -0.03 0.01 -0.00 0.03 0.02 -0.02 -0.03 -0.00 -0.05 -0.02 -0.03 0.02 -0.35 0.30 -0.29 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.27 0.39 -0.06 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 -0.00 0.01 -0.00 0.02 -0.00 -0.02 -0.01 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.02 0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.06 -0.02 0.00 -0.10 0.04 -0.00 0.00 0.00 0.00 -0.06 0.03 -0.00 0.09 -0.04 0.00 -0.00 0.00 -0.03 -0.00 -0.07 0.00 0.03 0.03 0.04 -0.02 0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.06 -0.07 0.07 0.00 0.05 -0.10 -0.04 -0.01 -0.02 -0.03 -0.01 0.02 0.04 -0.00 0.01 -0.05 -0.01 0.02 0.00 -0.00 0.02 0.00 0.06 -0.05 -0.00 0.01 -0.00 -0.00 -0.35 0.13 -0.00 0.54 -0.24 -0.01 0.00 0.00 0.00 0.34 -0.14 0.01 -0.49 0.21 -0.00 0.00 0.00 0.01 0.01 0.02 0.00 0.02 0.00 0.01 -0.01 0.01 -0.01 0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.07 0.01 0.13 0.05 -0.02 -0.01 0.04 -0.07 -0.12 -0.00 0.08 -0.02 0.01 -0.01 -0.03 -0.05 -0.05 -0.01 0.01 0.06 0.01 -0.03 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.02 0.01 0.01 -0.01 -0.00 0.00 -0.02 0.01 -0.01 0.02 -0.00 0.00 -0.00 -0.00 0.18 0.01 0.36 -0.01 -0.19 -0.22 -0.24 0.05 -0.14 0.05 0.23 0.13 0.03 0.06 -0.03 -0.03 0.04 0.02 0.14 0.31 -0.24 0.00 0.01 0.23 0.03 -0.10 0.27 -0.08 -0.00 -0.10 -0.25 -0.04 -0.07 0.25 0.02 -0.08 -0.01 0.01 -0.07 0.04 0.02 -0.06 0.01 -0.02 0.00 -0.02 -0.11 0.02 -0.00 0.10 -0.04 0.00 -0.01 -0.01 0.00 0.09 -0.04 -0.02 -0.08 0.03 0.00 -0.00 -0.00 0.02 0.00 -0.01 -0.01 -0.00 0.02 -0.01 -0.01 -0.06 0.01 -0.01 0.02 0.01 -0.01 0.04 -0.09 -0.05 0.05 -0.12 0.04 -0.03 -0.07 -0.02 -0.07 0.14 -0.04 0.06 0.07 0.06 0.02 0.04 -0.02 -0.04 0.00 0.06 0.06 0.03 0.01 0.03 0.03 0.00 0.02 0.00 -0.01 -0.00 0.00 -0.01 -0.02 0.00 0.00 -0.01 -0.01 0.01 0.01 -0.02 -0.01 -0.03 -0.01 0.00 0.01 -0.01 0.00 0.01 -0.40 0.05 -0.14 -0.21 0.01 -0.10 0.12 -0.08 -0.12 0.25 -0.02 0.04 -0.18 0.09 0.01 0.14 0.03 -0.20 -0.05 0.14 -0.05 0.02 0.20 -0.10 -0.11 -0.12 0.21 -0.32 -0.06 -0.06 -0.07 -0.13 -0.09 0.36 -0.08 -0.05 -0.01 0.00 -0.06 0.17 0.01 -0.01 -0.01 -0.01 0.00 0.01 0.01 -0.02 -0.01 -0.02 0.00 0.04 -0.01 0.05 -0.07 -0.02 -0.01 0.01 0.02 0.02 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.04 0.00 -0.01 0.01 -0.03 0.01 0.00 0.02 0.07 -0.06 0.03 -0.10 0.23 -0.06 0.07 0.01 -0.02 -0.05 -0.07 -0.03 -0.06 0.03 0.05 0.04 -0.03 0.02 0.07 -0.01 -0.01 -0.05 -0.07 0.02 0.05 0.02 -0.04 0.05 -0.00 0.01 0.01 -0.00 0.02 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 -0.02 0.02 0.00 -0.02 -0.01 -0.03 -0.03 0.01 0.03 0.00 0.00 0.00 -0.11 0.00 -0.00 0.11 -0.10 -0.05 -0.04 -0.02 -0.02 -0.15 0.20 0.15 -0.07 -0.16 0.06 0.06 -0.12 -0.02 -0.13 -0.04 0.09 0.03 0.23 -0.26 -0.15 -0.12 0.11 0.27 0.06 -0.06 -0.31 0.09 0.02 -0.11 0.10 -0.03 0.04 -0.04 0.38 0.18 -0.27 0.14 -0.03 0.03 0.01 -0.04 -0.01 -0.04 -0.01 -0.05 0.03 0.01 0.01 0.03 -0.04 -0.01 -0.02 -0.04 0.03 0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.02 -0.04 0.03 0.01 0.13 -0.01 -0.00 -0.03 0.08 0.01 0.03 0.12 0.02 -0.04 -0.09 0.10 -0.07 -0.00 0.06 -0.03 0.07 -0.12 0.03 -0.08 -0.06 -0.02 0.02 0.02 0.04 -0.05 -0.06 0.04 -0.03 0.02 0.02 -0.03 0.00 -0.00 -0.02 0.02 -0.04 0.00 -0.01 -0.01 0.00 0.00 0.00 0.02 -0.03 -0.01 0.00 0.01 0.02 0.02 -0.01 -0.02 -0.01 0.00 0.00 -0.24 0.08 0.12 -0.21 -0.14 -0.26 0.04 -0.18 -0.32 0.30 0.03 0.02 0.20 -0.12 -0.00 -0.15 0.03 0.17 -0.05 -0.16 0.13 0.01 -0.00 -0.11 0.01 0.05 -0.13 0.21 0.06 -0.08 -0.37 0.08 0.00 -0.02 0.11 -0.05 0.01 -0.00 0.03 -0.07 -0.04 0.08 -0.03 0.04 -0.05 0.03 0.02 0.00 -0.01 -0.00 0.00 -0.08 0.04 -0.11 -0.01 0.00 0.03 0.04 -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.03 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 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.01 -0.01 0.00 0.01 -0.01 0.01 0.09 -0.09 -0.24 0.04 0.11 0.25 -0.01 0.01 0.00 0.00 0.07 0.17 0.04 -0.07 -0.17 -0.16 -0.01 -0.02 -0.01 -0.00 -0.01 0.02 -0.00 0.01 0.00 0.01 0.02 -0.02 0.01 0.01 -0.02 0.03 -0.00 0.01 -0.01 -0.01 -0.01 -0.02 0.01 -0.00 -0.01 -0.01 0.00 0.01 -0.02 0.02 0.00 0.00 0.01 0.01 0.01 -0.02 0.00 0.00 -0.00 0.00 0.01 0.06 0.01 -0.01 0.02 -0.01 0.02 -0.17 -0.17 -0.42 -0.23 0.16 0.36 0.02 -0.01 0.03 -0.24 0.11 0.27 -0.18 -0.14 -0.31 0.00 0.00 0.00 -0.00 -0.01 -0.06 -0.04 0.01 -0.05 0.08 0.02 0.29 -0.02 -0.01 -0.06 -0.04 -0.02 0.01 -0.05 0.08 0.06 -0.01 -0.04 0.04 0.02 -0.03 0.05 -0.01 0.02 -0.05 0.07 -0.01 0.02 0.01 -0.05 -0.06 0.02 0.05 0.01 0.01 0.00 -0.02 0.01 -0.00 -0.00 -0.09 0.05 -0.15 0.01 -0.01 -0.02 0.00 0.01 0.02 0.05 -0.07 -0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 0.05 -0.02 -0.10 0.03 0.09 0.13 0.02 0.04 0.12 -0.10 -0.10 -0.08 -0.05 -0.27 0.09 0.10 -0.00 -0.11 0.02 0.27 -0.17 0.01 0.16 0.05 -0.08 -0.16 0.32 -0.22 -0.04 0.00 0.13 -0.09 -0.04 0.19 -0.08 -0.00 0.03 -0.03 0.10 0.00 -0.02 0.01 -0.21 0.17 -0.19 -0.02 -0.01 -0.04 -0.02 0.01 0.03 -0.18 0.11 -0.27 -0.02 0.00 0.02 -0.03 -0.01 -0.03 -0.00 0.00 0.00 -0.02 -0.02 -0.04 0.02 -0.01 -0.00 -0.03 -0.00 -0.09 -0.00 0.01 0.02 0.02 -0.00 0.01 0.05 0.13 0.01 -0.07 0.02 0.03 0.11 0.03 0.12 0.00 -0.06 -0.12 -0.07 -0.03 -0.03 0.02 -0.08 -0.06 -0.01 0.03 0.06 -0.02 0.01 -0.02 -0.03 -0.00 -0.02 0.05 -0.03 0.09 -0.00 0.00 0.02 -0.00 0.00 0.01 -0.03 0.03 -0.00 0.02 0.01 0.02 0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.10 0.01 0.05 -0.13 0.05 0.00 0.00 -0.01 0.02 0.05 -0.21 -0.20 0.16 -0.06 -0.02 -0.14 -0.01 0.20 0.02 0.31 -0.19 0.02 0.20 0.06 -0.09 -0.22 0.40 -0.15 -0.01 -0.07 -0.14 -0.07 -0.06 0.26 -0.02 -0.05 0.06 -0.04 0.18 -0.24 0.01 0.06 0.12 -0.09 0.11 0.02 0.02 0.04 0.00 0.01 0.01 0.05 -0.03 0.09 0.05 0.01 0.01 -0.01 -0.01 -0.03 0.02 0.00 0.00 -0.00 -0.03 -0.12 -0.01 -0.01 -0.03 0.01 -0.00 0.01 -0.00 0.01 0.01 -0.05 0.03 0.06 -0.16 -0.03 0.28 -0.01 0.02 -0.07 0.08 0.08 0.03 -0.01 -0.08 -0.02 0.05 0.06 -0.07 0.04 0.03 0.00 0.03 -0.08 -0.04 0.00 -0.03 -0.01 0.04 -0.00 -0.02 0.03 -0.02 0.04 0.04 -0.00 -0.01 0.05 0.02 0.05 -0.01 0.02 -0.01 -0.00 -0.03 -0.06 -0.04 0.03 0.07 -0.17 -0.02 -0.03 0.24 -0.01 0.23 -0.06 -0.09 -0.16 -0.15 0.05 -0.06 0.05 0.08 0.03 0.07 -0.08 -0.03 0.01 0.17 -0.02 -0.09 -0.09 0.10 0.02 0.09 -0.15 -0.07 0.00 -0.02 0.38 0.05 0.05 -0.01 0.14 0.09 -0.23 0.09 0.01 0.06 -0.03 -0.09 -0.12 0.07 -0.04 0.07 -0.07 0.06 0.10 -0.01 0.03 0.18 0.01 -0.00 -0.04 0.04 -0.05 0.26 -0.06 -0.18 0.07 0.07 0.16 -0.03 -0.00 -0.00 0.00 -0.02 -0.06 -0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.03 0.01 0.03 -0.09 -0.01 0.14 -0.01 0.01 -0.03 0.04 0.03 -0.01 0.01 -0.04 -0.00 0.03 0.03 -0.04 0.02 0.02 -0.00 0.02 -0.04 -0.02 0.03 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.01 0.02 -0.09 0.01 0.04 -0.07 -0.02 -0.05 -0.01 0.01 -0.01 0.01 0.04 0.10 0.02 -0.04 -0.10 0.32 0.02 0.03 0.08 -0.00 0.10 -0.02 -0.04 -0.07 -0.07 0.03 -0.03 -0.00 0.08 0.06 0.02 -0.03 -0.02 0.01 0.07 -0.02 -0.04 -0.04 0.04 0.01 0.05 -0.07 -0.04 -0.00 -0.01 0.18 0.02 0.03 0.01 0.07 0.04 -0.11 0.04 0.01 0.02 -0.01 -0.03 -0.01 0.03 -0.01 0.03 -0.03 0.02 -0.30 -0.02 -0.10 -0.31 0.02 0.04 -0.02 0.02 -0.02 -0.37 0.10 0.28 -0.33 -0.16 -0.36 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 0.02 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.08 -0.07 0.05 0.00 0.01 -0.03 0.00 0.03 -0.00 0.06 0.08 0.01 -0.04 -0.08 0.01 -0.01 -0.01 0.01 0.02 0.02 -0.02 0.03 0.04 -0.03 0.00 -0.01 -0.01 0.01 -0.01 -0.04 -0.01 0.00 -0.02 -0.04 0.00 0.02 0.03 0.01 0.03 0.01 -0.00 0.01 0.03 0.01 0.02 -0.04 0.01 0.02 0.00 -0.01 -0.02 -0.28 0.03 -0.03 0.40 -0.10 0.19 0.12 -0.32 -0.31 -0.10 0.28 0.19 -0.02 0.06 -0.01 -0.01 -0.07 0.03 -0.01 0.01 -0.01 0.01 0.04 -0.07 -0.01 0.02 -0.05 -0.13 -0.03 0.06 0.23 -0.06 -0.01 0.04 -0.08 0.03 0.01 0.00 0.03 -0.15 -0.04 0.07 -0.01 -0.00 -0.02 -0.17 0.01 -0.08 0.18 -0.01 -0.03 0.03 -0.02 0.04 0.23 -0.03 -0.06 -0.22 -0.05 -0.10 0.00 -0.00 -0.00 -0.01 -0.01 -0.04 -0.00 0.01 -0.07 0.00 -0.00 0.02 -0.01 0.02 0.02 -0.03 -0.03 0.04 0.09 0.04 0.08 0.02 -0.02 -0.00 -0.05 -0.01 -0.06 -0.02 0.01 0.04 -0.05 -0.00 -0.03 -0.01 0.01 -0.02 0.01 0.04 -0.03 0.00 0.00 -0.00 -0.01 0.02 0.04 0.05 -0.03 0.07 0.04 -0.01 -0.02 -0.03 -0.01 -0.03 -0.02 0.02 -0.01 -0.03 -0.01 -0.02 0.04 -0.01 -0.02 -0.01 0.01 0.03 -0.20 -0.01 -0.16 0.22 -0.02 0.13 0.08 -0.14 -0.12 -0.09 0.15 0.12 0.15 -0.32 0.07 -0.12 0.35 0.03 0.04 0.05 -0.06 -0.00 -0.02 0.04 0.04 0.02 -0.00 -0.14 -0.03 0.08 0.21 -0.04 0.00 -0.01 -0.07 0.03 -0.01 -0.01 0.01 0.15 -0.06 -0.00 0.19 -0.19 0.11 0.19 0.03 0.07 -0.21 0.01 0.04 -0.04 0.04 -0.03 -0.25 0.02 0.06 0.26 0.06 0.13 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.06 -0.01 0.00 -0.02 0.01 -0.02 -0.01 -0.04 -0.02 0.02 -0.05 -0.01 -0.04 -0.01 0.03 -0.01 0.09 0.04 0.04 -0.02 -0.04 -0.02 0.02 -0.00 0.01 0.02 0.01 -0.01 0.02 -0.00 -0.01 0.00 -0.02 -0.03 -0.03 0.02 0.03 -0.03 0.02 -0.05 0.07 -0.00 -0.01 -0.07 -0.01 -0.02 0.01 -0.01 0.01 -0.05 -0.01 -0.02 0.07 -0.01 -0.02 -0.01 0.01 0.03 0.03 0.01 0.12 0.12 -0.05 0.03 -0.01 -0.06 -0.06 -0.03 0.10 0.05 -0.08 0.25 -0.06 0.06 -0.26 0.02 -0.04 -0.01 0.03 0.01 0.06 -0.08 -0.04 -0.02 -0.00 0.05 0.01 0.00 0.03 0.01 0.01 0.00 -0.00 0.00 0.02 0.00 0.03 -0.10 -0.02 0.01 -0.12 0.12 -0.08 0.36 0.07 0.19 -0.38 0.04 0.10 0.05 -0.05 0.05 -0.36 0.04 0.10 0.40 0.09 0.19 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.04 0.05 -0.01 -0.02 0.03 0.02 -0.04 0.01 -0.09 -0.00 0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.03 -0.03 -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 -0.01 -0.05 -0.12 -0.00 0.00 -0.00 0.00 0.00 0.00 0.03 0.04 0.19 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.05 -0.00 0.02 -0.04 0.00 -0.03 -0.02 0.03 0.03 0.00 -0.02 -0.01 0.04 -0.09 -0.00 0.02 -0.03 -0.01 -0.01 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.01 0.03 0.01 -0.00 -0.01 0.01 0.01 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.39 -0.54 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.33 -0.20 0.55 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.03 -0.01 0.00 -0.01 0.01 -0.01 -0.01 -0.07 0.10 0.11 0.09 -0.02 -0.03 -0.08 -0.06 -0.03 -0.05 -0.01 -0.05 0.09 0.01 -0.01 -0.03 -0.02 0.01 0.03 -0.05 -0.05 0.02 -0.04 -0.03 -0.00 0.02 0.03 -0.05 0.01 0.02 -0.01 0.01 -0.01 -0.02 -0.01 -0.02 0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.03 0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.01 0.40 -0.07 0.11 -0.03 0.10 0.07 0.13 -0.01 0.05 -0.34 0.36 0.29 0.04 0.12 -0.04 -0.04 -0.01 0.03 -0.07 0.18 -0.08 0.03 0.21 -0.00 -0.07 -0.14 0.23 0.21 0.03 0.06 0.04 0.11 0.07 -0.11 0.06 -0.00 -0.01 -0.00 -0.01 0.18 -0.03 0.01 -0.08 0.10 -0.03 -0.10 -0.00 -0.08 0.09 -0.02 -0.05 0.03 -0.03 0.03 0.12 -0.02 -0.03 0.07 0.01 0.03 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.02 -0.01 0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.03 0.01 0.01 0.02 0.01 -0.00 -0.02 -0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.04 0.00 0.01 -0.00 0.00 -0.00 0.04 0.01 0.02 0.05 -0.01 -0.02 0.00 -0.00 0.00 -0.03 0.01 0.02 -0.03 -0.01 -0.03 -0.03 0.00 0.00 -0.03 -0.00 -0.01 0.01 -0.01 -0.02 -0.02 0.02 0.01 0.05 -0.04 -0.03 0.02 0.06 -0.02 -0.01 -0.03 0.02 0.01 0.02 -0.02 0.00 0.01 0.01 0.01 -0.00 0.01 0.01 -0.00 0.03 0.04 0.01 0.01 -0.04 -0.01 0.01 0.00 -0.01 0.05 0.10 -0.02 -0.00 -0.06 0.07 -0.02 0.41 0.09 0.27 0.51 -0.08 -0.21 0.04 -0.04 0.05 -0.40 0.07 0.16 -0.34 -0.11 -0.24 -0.00 -0.00 -0.00 -0.01 -0.01 -0.04 0.03 -0.02 0.05 -0.03 0.04 -0.01 0.01 -0.04 -0.06 0.08 -0.01 0.10 0.04 0.03 0.09 0.04 -0.01 -0.03 -0.02 -0.02 -0.02 -0.02 -0.01 0.01 -0.02 -0.00 -0.03 -0.05 0.01 -0.03 -0.03 0.01 -0.05 -0.00 0.00 0.01 0.01 -0.00 0.01 -0.01 0.02 -0.01 -0.02 -0.00 -0.01 -0.01 0.00 0.00 0.02 -0.02 0.01 0.01 -0.00 -0.00 0.01 0.00 0.01 0.01 0.00 0.00 -0.29 0.01 -0.16 -0.04 -0.04 -0.09 -0.14 0.10 0.02 0.12 -0.14 -0.10 0.07 0.21 -0.09 -0.04 -0.11 0.09 0.12 0.07 -0.12 -0.02 -0.07 0.15 0.13 0.06 0.01 -0.05 -0.01 0.12 0.15 0.03 0.04 -0.17 -0.05 0.06 0.04 -0.03 0.20 0.03 0.02 -0.01 -0.29 0.35 -0.09 -0.14 -0.05 -0.09 -0.11 0.02 0.04 0.24 -0.20 0.27 0.14 -0.02 -0.06 0.09 0.03 0.06 0.00 0.00 0.00 0.00 0.00 0.01 0.05 -0.11 -0.08 -0.05 0.09 0.05 -0.02 -0.02 -0.09 -0.03 0.01 -0.10 -0.01 -0.02 -0.01 -0.02 -0.01 0.03 -0.00 0.02 0.00 0.00 0.01 -0.00 -0.03 0.07 0.01 0.02 -0.00 0.03 0.01 -0.01 0.05 -0.01 -0.01 -0.01 0.04 -0.00 -0.01 0.05 -0.02 0.08 0.02 0.00 0.01 0.01 0.00 0.00 0.02 -0.01 0.02 -0.02 -0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.15 -0.01 0.04 0.04 0.04 0.09 0.16 -0.16 -0.07 -0.10 0.10 0.07 -0.01 -0.13 0.07 -0.03 0.20 -0.06 -0.06 -0.07 0.09 0.00 0.01 -0.08 -0.07 -0.03 -0.02 0.00 0.00 -0.10 -0.14 -0.03 -0.04 0.14 0.04 -0.05 -0.01 0.01 -0.11 -0.06 -0.00 -0.00 -0.32 0.42 -0.02 0.02 0.02 0.01 -0.04 0.01 0.02 0.34 -0.27 0.39 -0.08 0.01 0.02 -0.06 -0.01 -0.02 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.04 0.04 0.01 -0.02 -0.02 0.01 -0.00 0.01 0.06 0.06 0.02 0.06 -0.00 0.02 -0.02 -0.05 0.01 -0.08 0.03 0.00 0.01 0.02 -0.01 -0.00 -0.04 -0.01 -0.02 -0.02 -0.01 -0.02 -0.02 -0.01 -0.10 -0.03 -0.04 0.28 -0.02 -0.05 -0.02 0.01 -0.03 0.08 0.03 0.06 0.03 0.01 0.03 -0.00 0.00 -0.00 -0.10 -0.02 -0.04 -0.05 0.03 0.06 0.00 -0.01 -0.03 0.05 -0.04 -0.11 -0.10 0.07 0.02 0.20 -0.20 -0.14 -0.15 0.07 0.06 0.05 0.11 -0.05 -0.01 -0.05 0.04 0.04 0.06 -0.07 -0.01 -0.01 0.11 0.05 -0.01 0.08 0.03 0.00 0.02 -0.03 0.04 0.03 -0.09 0.03 0.01 0.02 0.00 -0.03 -0.46 0.05 0.01 0.03 -0.05 -0.02 0.02 0.01 0.01 -0.30 0.07 0.17 -0.06 0.05 -0.07 -0.37 0.02 0.07 -0.32 -0.05 -0.11 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.00 0.01 0.00 0.21 0.03 -0.04 -0.09 -0.01 0.04 -0.02 -0.05 0.08 0.06 0.04 -0.02 0.00 -0.02 -0.06 0.03 0.02 -0.01 -0.08 -0.01 0.00 -0.05 -0.01 0.01 0.03 0.00 0.01 -0.08 0.00 0.01 0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.01 0.02 0.01 0.01 0.01 -0.01 -0.02 -0.01 0.00 0.01 -0.06 -0.02 -0.20 -0.20 0.10 0.03 0.27 -0.30 -0.13 -0.40 0.41 0.26 -0.04 0.00 -0.01 0.04 -0.10 0.01 0.15 -0.00 -0.09 -0.04 -0.17 0.22 0.16 0.07 0.02 -0.09 -0.01 -0.02 -0.13 0.00 -0.01 -0.12 0.01 0.03 0.00 0.00 -0.01 0.02 -0.01 0.03 0.03 -0.05 -0.00 0.07 0.05 0.04 0.11 -0.02 -0.05 -0.03 0.03 -0.01 0.03 0.00 0.01 0.07 0.01 0.02 0.00 -0.00 0.00 0.02 0.00 0.06 0.01 -0.07 -0.12 -0.01 0.03 0.04 -0.02 0.03 0.00 0.05 0.06 0.20 -0.09 -0.07 -0.19 0.01 0.02 -0.04 0.05 -0.01 0.02 0.02 -0.05 -0.02 0.00 0.07 0.06 -0.02 -0.03 -0.06 -0.01 -0.03 -0.07 -0.00 0.01 0.01 0.01 -0.02 -0.06 0.04 -0.03 0.06 0.02 0.01 0.03 -0.02 0.01 0.02 -0.00 0.00 0.00 -0.02 0.01 0.02 0.02 0.01 0.02 0.00 -0.01 -0.03 -0.25 0.03 -0.10 -0.02 -0.05 -0.10 -0.24 0.25 0.15 0.04 -0.00 -0.01 -0.17 -0.29 0.16 0.04 0.18 -0.14 0.06 0.19 -0.16 0.00 0.08 0.14 0.09 -0.01 0.10 0.06 -0.02 0.15 0.13 0.12 0.09 -0.27 0.00 0.05 -0.01 0.03 -0.19 -0.28 0.06 0.06 0.06 -0.05 0.07 0.10 0.02 0.09 -0.05 0.02 0.03 -0.00 0.01 0.00 -0.02 0.01 0.01 -0.03 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.01 -0.03 0.20 -0.06 0.01 -0.02 0.03 0.04 -0.05 0.01 0.02 0.00 0.00 -0.06 0.02 0.04 0.00 -0.00 -0.01 0.02 -0.06 0.00 0.01 -0.07 0.02 0.03 -0.01 -0.00 -0.03 -0.01 -0.01 -0.01 0.00 -0.01 -0.02 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.01 0.01 0.01 0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.47 -0.00 -0.38 0.32 0.03 0.21 0.04 -0.14 -0.13 0.20 -0.18 -0.13 0.00 0.06 -0.02 0.00 -0.08 0.04 -0.11 0.09 0.01 0.01 0.12 0.05 -0.07 -0.13 0.17 0.21 0.03 -0.09 -0.16 0.11 0.06 -0.02 0.17 -0.08 -0.03 0.01 -0.22 -0.01 0.01 -0.00 0.00 -0.01 -0.01 0.04 0.01 0.03 -0.03 0.01 0.01 -0.03 0.03 -0.02 0.08 -0.01 -0.02 0.03 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.02 0.01 -0.01 -0.01 0.00 -0.01 -0.01 0.01 0.01 -0.08 0.02 0.02 0.04 0.01 0.04 0.03 -0.03 -0.03 -0.04 0.07 -0.10 -0.05 -0.00 -0.02 -0.01 0.00 -0.00 0.02 -0.00 0.00 0.03 -0.01 0.02 0.03 -0.00 -0.02 -0.04 -0.01 0.01 -0.00 0.05 0.02 0.04 -0.05 0.01 0.03 -0.00 0.01 0.01 -0.04 0.01 0.03 0.03 0.01 0.03 0.01 -0.04 -0.09 -0.24 0.05 -0.07 0.26 -0.03 0.16 -0.41 0.46 0.33 -0.20 0.29 0.21 0.05 0.05 -0.03 -0.01 0.06 -0.01 -0.01 -0.03 0.03 -0.00 -0.03 -0.00 -0.02 -0.01 -0.00 -0.03 0.00 -0.07 -0.07 -0.03 -0.02 0.07 0.04 -0.03 -0.00 0.00 -0.03 -0.08 0.03 0.05 -0.03 0.04 -0.01 -0.09 -0.04 -0.04 0.17 -0.02 -0.06 -0.01 0.01 0.00 -0.13 0.03 0.06 0.07 0.03 0.06 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.07 -0.13 -0.05 0.10 -0.15 -0.03 -0.07 0.00 -0.18 0.01 -0.02 0.01 0.02 0.01 0.00 -0.02 0.01 -0.01 -0.01 0.01 0.01 0.01 -0.02 -0.01 -0.04 0.06 0.03 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.03 -0.01 -0.01 0.03 0.03 0.06 0.01 0.01 0.04 -0.01 -0.01 -0.02 0.04 -0.01 -0.02 -0.04 0.18 0.25 0.02 -0.01 -0.03 -0.03 -0.01 -0.02 -0.01 0.02 0.05 0.03 0.00 0.06 0.09 -0.01 0.04 -0.06 0.06 0.04 -0.00 0.01 0.01 -0.07 0.30 -0.04 -0.00 -0.12 0.02 0.02 -0.01 -0.01 -0.00 -0.01 0.01 0.02 0.01 -0.00 -0.02 -0.00 0.02 0.02 -0.01 -0.01 0.00 -0.02 0.01 -0.01 0.00 0.01 0.03 -0.01 -0.03 -0.14 0.18 -0.00 -0.05 -0.02 -0.05 -0.01 -0.00 -0.00 -0.48 0.55 -0.22 -0.04 -0.01 -0.01 -0.03 -0.01 -0.02 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.02 0.02 -0.01 -0.03 0.05 0.02 0.01 0.01 0.06 0.05 0.04 -0.03 -0.00 -0.01 -0.02 -0.02 0.03 0.00 0.01 0.04 0.05 0.03 -0.10 -0.05 0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.01 -0.10 -0.03 -0.05 0.09 0.10 0.23 0.00 -0.01 -0.01 -0.06 -0.03 -0.09 0.15 -0.04 -0.09 0.01 -0.05 -0.07 0.10 -0.05 -0.11 -0.12 -0.04 -0.08 -0.03 0.09 0.21 -0.18 0.04 -0.07 0.36 -0.05 0.20 -0.34 0.35 0.24 -0.08 0.16 0.10 -0.02 -0.05 0.01 0.01 -0.06 0.01 0.01 0.00 -0.01 -0.01 -0.02 0.06 0.03 -0.01 0.04 -0.01 -0.00 -0.04 -0.06 0.01 0.00 -0.01 0.04 -0.02 -0.01 0.01 -0.16 -0.05 -0.02 -0.06 0.06 -0.08 0.00 -0.08 -0.06 -0.10 -0.11 0.00 0.01 0.13 -0.14 0.06 -0.11 -0.02 -0.04 -0.14 -0.04 -0.10 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.04 0.04 0.01 -0.02 -0.02 0.01 -0.04 -0.04 -0.04 -0.01 -0.01 -0.00 0.01 0.00 0.04 0.00 0.03 -0.01 -0.03 -0.03 0.02 -0.02 -0.02 0.00 -0.04 -0.01 0.01 0.00 0.01 0.01 0.00 0.00 0.03 0.02 0.02 -0.02 -0.03 -0.06 -0.01 0.03 0.02 -0.03 -0.01 -0.02 0.03 -0.00 -0.01 0.01 0.00 0.02 -0.02 -0.00 -0.00 0.03 -0.00 -0.01 -0.02 0.04 0.10 -0.12 0.02 -0.06 -0.19 0.02 -0.11 -0.05 0.09 0.11 -0.10 0.15 0.09 0.07 -0.07 0.00 -0.03 0.25 -0.07 -0.02 0.00 0.02 0.00 0.01 -0.05 -0.03 -0.00 -0.04 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.14 0.04 0.06 -0.06 0.08 0.01 0.39 0.10 0.25 -0.36 0.05 0.14 -0.02 0.02 -0.01 0.38 -0.06 -0.16 -0.30 -0.10 -0.23 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.02 -0.07 -0.05 -0.01 0.02 0.03 -0.02 0.06 0.06 0.07 -0.01 -0.02 0.02 0.00 0.03 -0.09 0.01 -0.06 -0.03 -0.02 -0.03 0.01 0.00 0.03 -0.01 0.04 0.01 -0.02 0.01 -0.01 -0.02 0.01 0.01 0.02 0.01 0.02 -0.01 -0.03 -0.07 0.02 -0.05 -0.04 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.03 -0.04 0.01 0.01 0.04 0.01 0.02 -0.00 0.01 0.03 0.24 -0.02 0.16 0.48 -0.03 0.29 -0.06 0.07 0.03 0.08 -0.04 -0.01 -0.07 0.23 -0.04 0.04 -0.30 0.05 0.04 -0.05 -0.01 -0.01 -0.06 0.08 0.04 0.01 0.06 -0.02 0.01 -0.01 -0.01 -0.02 -0.01 0.03 -0.01 -0.00 0.03 -0.01 0.17 0.06 0.01 0.01 0.07 -0.11 -0.04 0.24 0.05 0.16 -0.22 0.03 0.09 0.02 -0.02 0.01 0.27 -0.04 -0.11 -0.20 -0.07 -0.15 -0.00 0.00 0.00 0.01 0.00 0.01 -0.03 0.10 0.06 0.00 -0.02 -0.04 0.03 -0.09 -0.08 0.10 0.01 0.00 -0.07 -0.01 -0.03 -0.11 0.01 -0.06 0.01 0.01 0.02 -0.01 0.02 0.04 0.03 -0.06 -0.02 -0.03 0.00 -0.01 -0.02 -0.01 0.00 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.03 0.07 0.06 -0.00 0.00 0.00 -0.01 0.00 0.00 0.02 -0.01 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.29 -0.01 0.13 0.52 -0.06 0.29 0.01 -0.02 -0.04 0.16 -0.14 -0.08 0.07 -0.34 0.06 -0.04 0.43 -0.08 0.05 -0.06 -0.02 -0.01 -0.07 0.12 0.06 0.00 0.09 -0.06 -0.02 0.00 -0.04 0.03 0.01 -0.03 0.03 -0.01 -0.01 -0.00 0.01 0.08 -0.02 -0.02 -0.07 0.13 0.06 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 -0.03 0.03 -0.03 -0.00 0.00 0.01 0.02 0.01 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.03 -0.01 -0.02 0.01 -0.00 0.02 -0.02 0.04 0.03 0.01 0.01 -0.00 -0.04 -0.00 -0.01 0.00 -0.01 -0.00 0.02 0.01 0.02 -0.01 0.00 -0.00 -0.02 -0.11 0.06 -0.00 0.00 -0.00 0.02 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.02 -0.05 -0.04 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.02 0.02 -0.01 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.01 0.02 0.00 0.03 0.02 0.03 -0.04 -0.02 0.03 -0.02 -0.02 0.10 0.55 -0.14 -0.01 0.64 -0.36 -0.01 -0.01 0.01 0.00 -0.02 0.02 -0.01 -0.01 0.02 -0.07 -0.04 0.01 -0.06 0.04 0.00 -0.06 0.04 0.01 0.03 -0.01 0.24 -0.02 -0.01 0.01 -0.02 0.00 -0.06 -0.02 -0.00 -0.01 0.02 -0.00 -0.01 0.02 -0.01 0.03 -0.04 0.01 0.02 0.04 0.01 0.03 -0.00 -0.00 -0.00 0.01 -0.02 0.02 0.02 0.04 0.12 0.11 -0.13 0.03 -0.04 0.08 0.05 0.01 -0.02 0.02 -0.02 0.03 -0.02 -0.01 0.01 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.02 -0.05 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.06 -0.15 -0.12 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.14 0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.07 0.01 0.00 0.02 -0.04 -0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.03 -0.42 0.09 -0.09 0.16 0.15 0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.01 -0.01 -0.00 0.02 0.02 0.00 0.00 0.01 -0.02 -0.00 -0.05 0.02 -0.36 0.04 -0.01 -0.01 -0.34 0.33 -0.26 0.00 0.00 0.00 -0.00 -0.00 0.00 0.20 -0.12 0.34 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.01 -0.01 0.02 0.00 0.01 -0.00 0.07 0.09 -0.01 -0.03 -0.03 0.00 -0.01 0.01 0.01 0.02 -0.03 0.06 -0.00 -0.01 -0.06 -0.02 -0.03 0.02 -0.00 0.01 -0.00 0.01 0.01 0.07 0.00 0.00 -0.06 -0.01 -0.02 0.01 -0.01 0.00 -0.09 -0.00 0.00 0.08 0.01 0.03 0.00 0.01 0.01 -0.06 0.01 -0.04 -0.06 -0.02 -0.05 -0.03 -0.00 -0.01 -0.02 0.00 -0.01 -0.01 0.06 -0.01 0.00 -0.00 0.00 -0.05 -0.11 0.05 0.02 -0.08 0.09 -0.05 -0.04 0.13 -0.21 -0.09 -0.02 -0.19 0.04 -0.07 -0.23 0.06 0.10 -0.06 0.01 -0.21 0.69 -0.15 -0.18 0.01 -0.01 0.01 -0.07 -0.04 -0.09 -0.01 -0.02 -0.05 0.00 -0.00 -0.01 0.19 -0.04 -0.12 -0.19 -0.07 -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 0.02 0.01 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.00 0.03 0.04 -0.00 -0.01 -0.01 -0.00 -0.02 0.01 -0.02 -0.05 0.06 -0.10 -0.00 0.00 -0.03 -0.01 -0.01 0.01 0.00 0.01 0.00 -0.00 0.00 0.03 0.00 0.00 -0.02 -0.00 -0.01 0.00 -0.00 0.00 -0.04 -0.00 -0.00 0.03 0.01 0.01 0.00 0.00 0.01 -0.01 0.00 -0.03 0.01 -0.01 0.01 -0.01 -0.01 -0.01 -0.02 -0.00 -0.00 0.03 0.06 -0.01 0.01 0.09 -0.07 0.14 0.29 -0.14 -0.06 0.23 -0.23 0.15 0.10 -0.31 0.37 0.16 0.06 0.34 -0.06 0.13 0.38 -0.10 -0.17 -0.02 -0.00 -0.03 0.28 -0.06 -0.07 -0.00 0.01 0.00 -0.03 -0.02 -0.04 -0.00 -0.01 -0.02 0.00 -0.00 0.00 0.08 -0.02 -0.05 -0.08 -0.03 -0.06 0.00 -0.00 -0.00 -0.01 0.04 -0.03 0.02 -0.01 0.02 0.00 -0.01 -0.01 -0.00 0.01 0.01 -0.02 0.03 -0.02 0.01 -0.10 -0.01 0.00 -0.00 0.01 0.01 0.02 0.01 0.00 -0.01 -0.00 0.00 0.04 -0.02 -0.00 -0.04 0.05 0.06 -0.01 0.01 -0.02 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.01 -0.02 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.07 0.03 -0.03 0.01 -0.01 0.01 0.01 -0.00 0.01 0.01 -0.06 -0.27 0.07 -0.03 0.02 0.08 0.04 0.28 -0.09 -0.03 0.16 -0.16 0.04 0.06 -0.29 -0.22 -0.10 -0.07 -0.20 0.05 -0.05 -0.22 0.13 0.07 0.10 -0.03 0.67 0.06 -0.01 -0.02 -0.02 -0.00 -0.03 -0.02 -0.01 -0.02 -0.00 -0.00 -0.01 -0.01 0.01 0.00 0.01 -0.00 -0.01 -0.03 -0.01 -0.02 0.00 -0.00 -0.00 -0.01 0.03 -0.02 0.02 -0.01 0.02 0.00 -0.01 -0.01 -0.00 0.01 0.01 -0.01 0.02 -0.01 0.00 -0.08 -0.02 0.02 -0.00 0.01 0.01 0.01 0.01 -0.00 -0.01 -0.01 -0.00 0.03 -0.01 0.02 0.05 -0.06 -0.06 -0.01 -0.00 -0.02 -0.00 -0.00 0.00 0.01 0.02 -0.00 -0.00 -0.02 0.03 0.00 0.00 -0.02 -0.00 -0.01 -0.00 0.01 0.00 -0.02 -0.00 -0.01 0.02 0.00 0.00 -0.00 0.01 0.01 -0.10 0.01 -0.02 -0.07 0.05 -0.02 0.01 -0.01 0.03 0.01 0.04 0.01 -0.02 -0.19 0.05 -0.02 0.07 0.01 -0.16 -0.30 0.15 0.06 -0.24 0.26 -0.16 -0.10 0.32 0.25 0.10 0.06 0.23 -0.01 0.11 0.28 -0.05 -0.14 0.07 -0.02 0.48 0.01 -0.00 -0.01 -0.01 -0.00 -0.02 -0.06 -0.02 -0.06 0.04 -0.01 -0.03 -0.01 0.01 -0.01 0.04 -0.01 -0.04 -0.05 -0.02 -0.05 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.01 -0.02 -0.01 0.01 0.00 0.01 -0.05 0.07 0.07 0.00 -0.03 -0.03 -0.00 0.01 -0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.00 -0.02 -0.01 0.00 0.02 -0.05 -0.11 -0.00 0.00 -0.00 -0.13 -0.00 0.00 0.12 0.02 0.03 -0.00 0.00 0.00 0.10 0.02 0.04 -0.11 0.00 0.01 0.02 -0.04 -0.08 -0.04 0.01 -0.05 -0.02 -0.02 -0.02 -0.03 0.04 0.09 0.00 0.08 0.02 -0.01 -0.04 0.01 -0.00 -0.00 0.01 -0.03 -0.06 0.03 0.01 -0.04 0.05 -0.02 -0.02 0.06 0.05 0.02 0.01 0.04 0.00 0.02 0.05 -0.01 -0.03 -0.02 -0.01 0.09 0.62 -0.11 -0.13 0.00 -0.01 -0.00 0.26 0.11 0.27 -0.31 0.08 0.21 -0.00 0.00 -0.00 -0.18 0.06 0.17 0.16 0.09 0.21 -0.00 -0.00 -0.00 0.01 -0.01 0.01 0.14 -0.14 0.13 -0.05 0.05 -0.04 -0.01 0.04 0.04 0.01 -0.01 0.01 -0.02 0.03 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.09 0.07 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.08 0.05 -0.11 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.04 -0.04 0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.08 0.01 -0.07 0.03 -0.10 -0.03 0.07 -0.04 0.13 0.13 0.08 -0.01 0.60 -0.33 0.09 0.04 0.11 -0.43 0.04 -0.01 -0.01 -0.01 0.03 -0.03 0.04 0.01 0.00 -0.03 -0.01 -0.06 0.03 -0.02 -0.00 -0.04 0.05 -0.00 -0.04 0.01 -0.24 -0.01 0.00 0.00 0.09 -0.16 -0.08 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.11 0.08 -0.15 0.01 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.03 0.02 -0.02 0.01 -0.01 0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 0.01 0.01 -0.01 -0.00 -0.01 -0.06 -0.01 -0.03 0.00 -0.01 0.01 0.01 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 -0.01 0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.11 0.02 -0.16 0.04 -0.19 -0.06 0.30 -0.15 0.55 0.52 0.38 -0.01 0.04 0.06 -0.01 0.03 -0.09 -0.05 -0.13 0.06 0.03 0.01 0.05 0.11 0.00 0.01 -0.08 0.04 0.02 0.03 -0.04 -0.04 -0.05 -0.02 -0.08 0.05 0.00 -0.00 0.02 -0.03 0.01 0.01 -0.01 0.02 0.02 -0.03 0.01 -0.03 0.01 -0.00 -0.01 0.02 -0.02 0.03 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.04 0.04 -0.02 0.03 -0.03 0.01 0.01 -0.02 -0.01 -0.01 0.00 0.00 -0.00 -0.02 -0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.03 0.01 0.03 -0.02 -0.01 -0.02 0.00 0.01 0.03 -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 -0.03 0.03 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.10 -0.02 0.14 -0.03 0.16 0.05 -0.03 0.01 -0.05 -0.04 -0.04 -0.00 0.39 -0.03 0.03 0.14 -0.25 -0.36 -0.04 -0.20 0.07 -0.01 0.31 0.09 0.34 0.09 0.11 0.07 0.07 -0.32 0.10 -0.27 -0.13 -0.16 0.06 0.07 0.01 -0.01 0.11 0.02 -0.00 -0.01 -0.02 0.04 0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.06 -0.04 0.08 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 -0.03 0.02 -0.02 0.03 -0.01 -0.01 0.02 0.01 -0.02 -0.01 -0.01 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.03 -0.01 -0.03 -0.03 -0.02 -0.02 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 -0.00 -0.00 -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 -0.03 -0.00 0.05 -0.03 0.05 0.00 0.04 -0.02 0.09 0.08 0.06 -0.00 -0.38 0.00 -0.03 -0.14 0.26 0.35 -0.01 -0.30 0.08 -0.03 0.44 0.06 0.48 0.13 0.15 0.02 0.02 -0.11 0.04 -0.10 -0.05 -0.03 0.02 0.02 0.00 0.00 -0.04 -0.01 0.00 0.00 0.00 -0.03 -0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.05 0.04 -0.07 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.01 0.00 -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 -0.02 0.02 0.01 -0.00 -0.04 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.01 0.07 -0.04 0.07 0.01 0.08 -0.04 0.14 0.13 0.10 -0.00 -0.00 0.01 0.00 0.01 -0.06 0.00 0.36 -0.15 -0.11 -0.05 -0.10 -0.32 0.01 -0.03 0.21 -0.25 -0.10 -0.20 0.24 0.22 0.27 0.03 0.49 -0.26 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.01 -0.01 -0.00 -0.02 0.02 -0.03 0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.03 0.00 0.01 0.02 0.01 -0.04 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.09 -0.01 0.09 -0.00 0.13 0.06 0.02 -0.01 0.05 0.04 0.03 0.00 0.11 -0.04 0.02 0.04 -0.07 -0.10 0.27 -0.22 -0.05 -0.05 0.11 -0.25 0.19 0.02 0.22 0.01 -0.05 0.54 -0.34 0.27 0.02 0.16 -0.34 0.07 0.00 -0.00 0.05 -0.00 0.00 -0.00 0.02 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -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 0.01 -0.01 0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.02 0.00 0.01 -0.00 0.01 0.00 0.02 -0.04 -0.06 -0.00 0.00 0.00 -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 0.01 0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.30 -0.08 0.51 -0.06 0.58 0.21 0.09 -0.05 0.16 0.15 0.11 -0.01 -0.06 -0.06 0.01 -0.03 0.06 0.07 -0.01 0.17 -0.04 0.01 -0.15 -0.02 -0.18 -0.04 -0.12 0.06 0.04 -0.06 -0.02 -0.12 -0.09 -0.07 -0.07 0.08 -0.01 0.00 -0.05 0.02 -0.00 -0.01 0.01 -0.01 -0.01 0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.01 0.01 -0.01 0.02 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 0.01 -0.00 -0.01 0.01 0.00 -0.01 0.04 0.02 0.00 -0.01 -0.01 -0.01 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.02 0.02 -0.00 0.03 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.05 0.02 -0.15 0.03 -0.14 -0.04 0.01 -0.00 0.02 0.02 0.00 -0.00 -0.06 0.01 -0.00 -0.02 0.06 0.05 0.41 -0.08 -0.14 -0.04 -0.22 -0.38 -0.14 -0.08 0.24 0.24 0.13 -0.21 -0.01 -0.39 -0.27 -0.18 -0.20 0.20 0.00 -0.00 0.04 -0.00 0.00 -0.00 -0.02 0.02 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.01 -0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -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 -0.02 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 -0.02 -0.01 -0.02 0.14 0.01 0.01 -0.00 0.00 0.00 -0.04 -0.03 -0.08 -0.08 0.03 0.08 -0.00 0.00 -0.00 -0.13 0.03 0.08 -0.11 -0.05 -0.12 0.13 0.02 0.03 0.02 0.00 -0.03 0.00 -0.03 -0.01 -0.02 0.02 -0.01 -0.04 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.01 0.00 -0.01 0.00 -0.00 0.02 -0.06 -0.00 -0.01 0.00 -0.01 0.00 0.39 0.07 0.18 0.46 -0.05 -0.12 0.01 -0.00 0.01 0.45 -0.05 -0.15 0.42 0.10 0.21 0.00 0.00 0.00 0.00 -0.00 0.00 0.08 -0.12 -0.02 0.07 -0.07 0.07 0.10 -0.14 0.01 -0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.17 0.24 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.15 0.15 -0.13 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 0.01 -0.05 0.00 -0.06 -0.02 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.24 0.14 -0.03 -0.08 0.19 0.16 0.02 0.00 -0.01 -0.00 -0.03 -0.02 -0.02 -0.01 0.01 0.05 0.03 -0.11 0.06 -0.11 -0.05 -0.05 0.01 0.02 0.00 0.00 0.01 -0.01 0.00 0.00 0.35 -0.40 0.17 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.28 -0.21 0.40 -0.01 0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.06 0.03 0.03 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.05 -0.01 0.01 -0.00 -0.13 -0.30 -0.00 0.00 -0.00 0.10 0.09 0.21 -0.14 0.07 0.17 0.00 -0.00 0.00 0.13 -0.08 -0.21 -0.05 -0.09 -0.21 -0.05 0.14 0.33 -0.01 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.02 0.03 0.02 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.20 -0.03 -0.03 0.00 -0.00 -0.00 -0.40 -0.04 -0.10 0.32 0.00 -0.00 -0.00 0.00 -0.00 -0.33 -0.02 -0.04 0.28 -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 0.05 0.00 0.01 -0.23 -0.01 -0.03 -0.00 0.00 -0.00 0.28 0.05 0.10 0.31 -0.01 -0.05 -0.00 0.00 -0.00 -0.26 0.01 0.03 -0.26 -0.04 -0.08 0.13 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.01 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 -0.02 -0.00 0.03 0.00 -0.00 0.00 -0.31 -0.12 -0.29 -0.38 0.09 0.23 0.00 -0.00 0.00 0.24 -0.07 -0.18 0.18 0.10 0.23 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.00 0.00 0.05 -0.02 -0.02 0.00 -0.01 -0.01 -0.42 0.25 0.25 0.04 -0.05 -0.04 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.47 -0.20 -0.22 -0.08 0.04 0.07 -0.00 -0.00 0.00 -0.01 -0.02 -0.03 -0.04 -0.01 -0.02 -0.00 0.00 -0.00 0.01 0.01 0.01 0.05 0.01 0.03 -0.01 -0.01 -0.03 0.00 -0.01 0.00 0.00 0.02 0.00 -0.07 0.10 0.06 -0.04 0.01 0.02 -0.01 -0.02 0.01 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.00 0.03 -0.57 -0.05 -0.04 0.00 -0.00 0.00 0.00 -0.00 -0.04 0.00 -0.01 -0.04 0.00 -0.00 0.00 0.02 0.01 0.01 -0.04 -0.02 -0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.02 0.00 -0.00 -0.00 -0.04 0.01 -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 -0.01 -0.11 -0.01 0.15 0.12 -0.24 0.23 0.26 -0.10 0.22 -0.35 0.76 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.04 0.00 -0.01 -0.03 0.04 -0.01 -0.01 -0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -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 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.05 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.05 -0.00 0.07 0.05 -0.10 -0.04 -0.05 0.02 -0.02 0.04 -0.09 -0.00 -0.00 -0.01 0.03 0.01 0.01 0.03 0.03 0.07 -0.10 0.00 0.01 0.05 -0.14 -0.03 -0.18 0.51 0.05 -0.17 -0.32 0.47 -0.20 -0.21 -0.44 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 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 0.03 -0.00 0.00 -0.00 0.02 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.04 0.02 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.19 -0.01 0.24 0.19 -0.37 -0.15 -0.16 0.05 -0.02 0.05 -0.09 0.00 0.01 0.02 -0.00 -0.00 -0.00 -0.13 -0.11 -0.29 0.45 0.01 -0.05 -0.20 0.54 0.13 -0.01 0.01 0.00 -0.02 -0.03 0.05 -0.01 -0.01 -0.03 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 0.01 -0.05 -0.00 -0.00 -0.00 -0.02 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.03 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 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 0.01 -0.33 -0.27 0.53 0.21 0.23 -0.07 0.03 -0.06 0.11 -0.00 -0.02 -0.05 0.03 0.01 0.01 -0.09 -0.07 -0.19 0.31 0.01 -0.03 -0.14 0.37 0.09 -0.05 0.13 0.01 -0.05 -0.08 0.12 -0.06 -0.06 -0.13 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.02 0.01 0.00 -0.00 -0.00 -0.04 -0.06 0.05 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.36 -0.03 0.09 0.07 -0.13 0.54 0.57 -0.16 -0.13 0.16 -0.38 0.00 0.01 0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.04 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.02 -0.00 0.01 0.01 -0.01 0.01 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -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 -0.05 0.00 0.03 0.01 -0.00 -0.00 -0.00 0.04 -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.00 0.02 0.02 -0.03 0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.15 -0.52 0.64 0.11 0.20 0.01 0.00 0.01 -0.06 -0.00 0.01 -0.01 0.02 0.01 0.12 -0.32 -0.04 -0.10 -0.17 0.27 0.04 0.05 0.07 -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 -0.01 -0.07 0.01 -0.00 0.00 0.00 -0.01 -0.02 0.01 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 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 0.78 0.08 0.15 0.10 -0.23 0.15 0.16 -0.04 -0.03 0.04 -0.09 0.00 0.06 0.19 -0.17 -0.03 -0.06 -0.01 -0.01 -0.03 0.01 -0.00 -0.00 -0.00 0.01 0.00 0.09 -0.26 -0.03 -0.09 -0.15 0.23 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.04 0.01 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.02 0.00 0.01 -0.01 0.01 0.01 0.00 -0.07 0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.38 0.04 0.10 0.07 -0.16 0.08 0.08 -0.02 -0.02 0.02 -0.05 -0.01 -0.08 -0.26 0.29 0.05 0.09 -0.03 -0.02 -0.06 0.15 0.01 -0.01 0.03 -0.09 -0.02 -0.21 0.55 0.06 0.14 0.23 -0.37 0.05 0.04 0.11 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.06 0.04 0.02 -0.00 -0.01 -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 -0.12 -0.01 -0.03 -0.02 0.05 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.02 0.07 -0.07 -0.01 -0.02 -0.06 -0.03 -0.10 0.57 0.03 -0.06 0.16 -0.46 -0.11 -0.03 0.08 -0.01 -0.11 -0.19 0.27 0.20 0.20 0.40 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 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 0.05 -0.03 -0.01 -0.00 -0.03 -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 -0.01 -0.01 0.02 -0.02 -0.02 0.01 0.00 -0.00 0.01 0.00 0.02 0.05 -0.07 -0.01 -0.02 0.02 -0.00 0.02 -0.47 -0.02 0.05 -0.12 0.35 0.08 -0.12 0.32 0.02 -0.09 -0.16 0.22 0.26 0.26 0.54 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.05 -0.04 -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 0.03 0.00 0.01 0.01 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.35 0.27 0.78 0.33 0.00 -0.05 -0.09 0.22 0.04 -0.01 0.03 0.00 -0.00 -0.01 0.01 0.02 0.02 0.05 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -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 -0.08 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.02 -0.02 0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.21 0.74 0.60 0.10 0.18 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.02 0.00 0.01 0.02 -0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.02 -0.03 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.05 -0.07 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.03 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 0.24 0.58 0.77 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.04 -0.04 -0.09 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.03 -0.07 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.06 0.08 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.37 0.35 0.81 0.00 -0.00 -0.00 0.01 0.01 0.02 0.15 -0.08 -0.19 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -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 0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.03 -0.07 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.14 -0.07 -0.19 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.39 0.34 0.82 -0.02 0.01 0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -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 0.00 0.00 0.00 0.00 0.00 0.05 -0.03 -0.06 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.02 0.01 0.03 0.10 0.09 0.21 0.00 -0.00 -0.00 -0.01 -0.01 -0.02 -0.57 0.30 0.71 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -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 -0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 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 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.56 0.28 0.73 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.10 0.09 0.21 0.02 -0.01 -0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 -0.07 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.04 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -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 0.08 0.24 0.72 -0.00 0.00 0.00 0.00 0.00 0.00 -0.16 0.43 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.06 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 0.05 0.05 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 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 0.07 0.20 0.60 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.19 -0.52 -0.53 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.06 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.11 0.98 0.12 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 17 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 17 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.96885 15.99491 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 317.12949 0.99975 -0.02209 -0.00285 0.02213 0.99967 0.01329 0.00255 -0.01335 0.99991 asymmetric 1 0.01995 0.00703 0.00587 0.41564 0.14646 0.12226 907971.1 20.98 42.03 69.99 84.45 111.67 136.10 170.85 198.05 226.71 255.23 288.45 317.17 346.88 363.75 382.79 443.07 462.74 487.56 494.99 520.66 540.63 576.49 605.12 606.53 621.66 694.55 755.98 766.70 802.99 859.87 872.60 909.89 938.11 953.38 989.05 998.75 1045.97 1065.95 1111.94 1153.54 1190.74 1194.82 1208.61 1232.36 1264.59 1298.31 1303.02 1324.14 1347.81 1386.41 1389.46 1402.71 1406.63 1420.06 1445.63 1459.58 1468.78 1478.85 1490.26 1514.65 1586.45 1590.16 1635.82 1642.74 1659.12 1680.68 1727.63 1752.05 1759.15 1775.33 1786.85 1797.82 1811.58 1839.11 1883.89 1886.35 1893.70 1916.45 1925.87 1936.33 1960.48 1984.12 2020.21 2022.65 2038.97 2061.69 2075.40 2118.89 2128.77 2133.51 2145.72 2154.23 2179.24 2184.72 2189.37 2191.40 2211.01 2299.16 2347.14 2465.92 4334.80 4346.36 4357.46 4363.46 4386.89 4424.23 4430.78 4437.53 4448.56 4451.46 4488.94 4507.94 4517.97 4556.64 4592.79 4601.89 4639.19 4670.97 4676.75 5252.17 0.345828 0.365652 0.366596 0.295983 -1359.477338 -1359.457514 -1359.456570 -1359.527183 229.450 78.122 148.617 0.000 0.000 0.000 0.889 2.981 43.158 0.889 2.981 35.023 227.673 72.160 70.436 1 0.593 1.986 7.262 2 0.593 1.984 5.882 3 0.595 1.978 4.872 4 0.596 1.974 4.501 5 0.599 1.964 3.950 6 0.603 1.953 3.563 7 0.609 1.934 3.121 8 0.614 1.916 2.836 9 0.621 1.894 2.579 10 0.628 1.870 2.356 11 0.638 1.839 2.129 12 0.647 1.810 1.955 13 0.658 1.777 1.795 14 0.664 1.758 1.711 15 0.672 1.735 1.622 16 0.698 1.659 1.373 17 0.707 1.632 1.302 18 0.719 1.598 1.217 19 0.723 1.587 1.193 20 0.736 1.551 1.114 21 0.747 1.522 1.056 22 0.767 1.469 0.960 23 0.783 1.426 0.890 24 0.784 1.423 0.887 25 0.793 1.400 0.852 26 0.839 1.288 0.703 27 0.880 1.194 0.597 28 0.888 1.177 0.581 29 0.914 1.122 0.528 30 0.956 1.037 0.454 31 0.965 1.018 0.439 0.845319e+23 22.927020 52.791416 0.378537e+08 7.578109 17.449240 0.100000e+01 0.000000 0.000000 0.221977e+09 8.346309 19.218086 0.100601e+08 7.002603 16.124089 1 gas ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1359.8231659 3.243E-9 4.435E-6 0.3458279 0.3656518 -1359.4575141 -1359.4565699 -1359.5271828 -4.190166,-3.3681223,7.5582884,-1.0002766,6.9413931,-5.7484646 C01 [X(C17H20Cl1N3O1)] -1.1278877 0.6365938 -0.8471543 -1.0691997 -0.0187595 0.0525514 -0.0437272 -0.0719211 0.0088553 0.0951305 0.007733 -0.0903416 -0.6120126 -0.0742288 0.0591803 -0.0724006 -0.6569235 0.1234077 0.2419785 0.1145402 -0.7511623 -0.267209 0.242684 -0.0385356 0.170341 -0.5484442 -0.0214215 -0.1097026 0.120652 -0.0512587 -0.2523139 0.0547351 0.1414964 0.0222775 -0.3493066 -0.0644033 0.1710224 -0.3616769 -0.3688691 -0.3234932 0.1995081 0.02752 0.0638845 -0.6366193 0.0192245 0.0092115 0.1395725 -0.4465685 0.1476781 -0.0203591 -0.0276162 -0.094625 0.0806831 0.042252 0.015785 -0.044867 0.0550127 0.5028493 0.0830531 -0.0380716 0.1018438 0.3528903 -0.080525 -0.3559317 -0.0063877 0.504479 0.0596215 0.00969 0.0595172 0.0223194 0.11461 0.0106761 0.0891967 -0.0051775 0.0677717 -0.2119951 0.0169908 0.0020253 -0.071939 -0.0707139 -0.1299413 0.1435578 -0.186862 -0.0100923 0.1100296 -0.045499 0.0412083 -0.0277224 0.108137 0.0939034 0.015656 0.0977207 0.0606831 0.1040853 -0.1989735 -0.0293295 -0.0822631 0.4791901 -0.0467969 0.150889 -0.057403 0.0962054 0.0173098 -0.0142999 -0.0145258 -0.017914 0.0261894 -0.0583244 -0.0259695 -0.0084068 0.0113012 -0.034239 0.0038762 0.0098494 0.0609066 0.0498713 0.0099516 0.0005432 0.0141452 0.0693248 0.0944666 -0.0083097 -0.0103115 0.185774 -0.1183797 -0.0333537 -0.1476735 -0.0568889 -0.0284302 0.3285304 -0.001854 0.0325528 -0.087734 -0.0138873 0.0203147 0.0154864 0.0446391 -0.0361074 0.1990982 -0.3615358 -0.0614431 -0.1662626 0.5207329 0.0238538 0.0103582 0.092013 0.1604574 -0.0445052 0.0100978 0.0050174 0.0219806 -0.0938158 -0.0161551 0.0239562 -0.0250981 -0.0159322 -0.0886325 0.0257106 -0.0574441 -0.0061888 -0.0778516 -0.0571341 -0.0073123 -0.0626311 0.0450059 0.1254075 -0.1043377 -0.0823607 -0.101846 0.1962401 -0.0806299 -0.115097 -0.1151531 0.4543458 -0.3509929 0.0115564 -0.0493652 0.0256685 -0.0909243 -0.0482584 -0.1375252 -0.0351521 0.0260453 -0.2431553 -0.0387263 0.1100473 -0.0350706 -0.0947003 -0.0354294 0.1608933 -0.043672 0.0014197 1.3601492 0.0484241 -0.1060122 0.0471257 -0.0153493 -0.0287233 -0.0864801 -0.0223689 0.0455067 0.0086876 0.0030163 -0.0022316 0.0555283 -0.1607526 0.0801294 -0.0049584 0.0137604 0.058081 -0.0638962 -0.0166854 -0.080202 -0.0554657 0.011741 -0.1081575 -0.0718707 -0.0710226 -0.0866991 -0.0330032 -0.0630247 -0.0037546 -0.0371576 -0.0392876 0.0175711 -0.0661464 -0.0105139 0.027949 -0.0161766 0.0315634 0.041562 0.1101578 -0.0025366 -0.0800824 0.0014815 -0.0217962 -0.0900012 0.0864409 0.0258806 0.0347355 0.0482421 0.03955 0.0080702 -0.0043246 0.0368863 -0.0694217 -0.1050138 0.0290639 0.0059057 -0.1061694 -0.0013211 0.0020777 0.0138083 0.0068413 0.0563707 0.0227494 -0.0045095 0.0676971 -0.0373357 0.0749366 0.041369 0.0686678 -0.0182316 -0.0679638 -0.1476973 -0.0302455 -0.0349207 -0.0381903 0.0719745 -0.0052121 -0.0353632 0.0007822 0.0460954 0.0214744 0.0841812 -0.0165768 0.0881716 -0.1602793 0.0131192 -0.0350976 0.067437 0.0364213 -0.0049063 0.0450479 -0.0085672 0.1282641 -0.1433733 0.0338636 -0.0243269 0.0296035 0.0683273 0.0145607 -0.0406594 -0.0224955 -0.0730377 -0.0100439 -0.1047885 -0.0672557 -0.1164096 -0.0723405 0.0022814 -0.0167145 0.0309057 -0.0666703 0.0588148 0.0517797 0.100342 0.0452414 -0.0570865 0.2823452 0.0525407 -0.0380785 0.0330844 0.5049623 0.0508032 -0.0479726 0.0559465 0.2780317 0.0137769 0.0189109 0.0056127 -0.0185475 0.0561823 0.0750389 0.0250542 0.0985121 -0.0012241 0.1225007 0.0342602 0.0095105 0.0412954 0.09846 0.0625163 0.0145889 0.0662555 0.0401793 0.0423072 0.0071345 -0.0671212 0.0091993 0.0989149 0.0333253 -0.0754786 0.038432 -0.0051815 0.0296421 -0.0283681 0.0755527 -0.0239912 0.1008277 0.0525751 0.0559022 0.0512828 -0.0167878 0.1148845 0.0430395 -0.0069327 0.0291647 0.0744476 0.0403304 0.0008999 0.0450166 0.0294354 0.0393892 -0.0143615 0.041921 -0.0209704 0.1169252 0.043523 0.0566879 0.0444628 0.0006514 0.018176 0.0204863 -0.0584721 0.0200001 0.1201504 0.0408055 -0.0626108 0.0382427 0.0263674 321.2962946|-22.224156|202.3876568|3.0572898|-15.9950364|198.2160503 -0.000009711 -0.000000896 0.000001989 -0.000007442 0.000001206 -0.000003338 -0.000018187 -0.000002778 0.000003406 0.000001564 0.000013696 0.000015558 0.000011021 -0.000008484 -0.000007832 0.000000182 0.000002772 0.000006197 0.000002708 0.000002406 0.000007087 0.000002829 -0.000001779 -0.000004097 0.000000156 -0.000003006 0.000000724 0.000000179 0.000003220 -0.000003386 0.000001103 -0.000003980 -0.000004685 -0.000000160 -0.000000978 -0.000002928 0.000001168 0.000000843 -0.000001437 -0.000000259 0.000003360 0.000000761 -0.000001923 -0.000001041 -0.000001778 0.000011958 0.000004256 -0.000005929 0.000001602 0.000000154 -0.000001901 0.000001548 -0.000001192 0.000002786 -0.000007670 -0.000003564 -0.000004382 -0.000007781 -0.000001279 0.000003264 -0.000009497 -0.000000151 0.000000164 0.000022058 0.000000934 -0.000001934 0.000000403 0.000000556 0.000001349 -0.000000560 -0.000001510 -0.000000272 0.000000147 0.000000283 0.000001369 -0.000000306 -0.000000917 0.000000292 -0.000000217 -0.000001141 -0.000001372 -0.000000963 0.000001645 0.000000520 -0.000000518 -0.000000628 0.000000453 0.000000901 -0.000000899 -0.000000496 -0.000000552 0.000001486 -0.000000466 0.000000560 0.000001648 -0.000001475 -0.000000619 -0.000000255 -0.000001042 -0.000000466 -0.000000202 -0.000000456 0.000004665 -0.000001845 -0.000000250 0.000000752 -0.000000531 0.000000807 -0.000000780 -0.000002203 0.000000801 0.000001533 0.000000432 0.000000538 0.000000613 0.000000018 0.000000895 -0.000000857 0.000000968 -0.000001020 0.000000679 0.000000140 -0.000000727 0.000000136 -0.000000764 0.000002241 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 14-Aug-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(C17H20ClN3O)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/triticonazole_Z/gas/CONF1/opt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction triticonazole_Z CONF1 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1934.1668836601 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0509276958 0.000000 8.846442 0.000000 8.688191 2.952332 0.000000 8.850904 2.844657 1.359566 0.000000 8.105545 4.752481 2.194969 2.258380 0.000000 9.207922 2.440013 3.864968 4.534312 5.899394 0.000000 8.468752 1.415013 2.490778 3.040404 4.449472 1.564628 0.000000 8.678209 3.674462 4.252158 5.223425 6.045708 1.545849 2.419625 0.000000 7.002745 2.487801 2.932165 3.561596 4.318324 2.415232 1.530005 2.440283 0.000000 7.161435 3.699550 3.923816 4.844329 5.296059 2.472857 2.465196 1.550670 1.514137 0.000000 9.162016 2.416758 1.455753 2.442896 3.616549 2.578663 1.557359 3.076743 2.513711 3.216151 0.000000 9.103671 2.763538 5.010875 5.405450 6.920980 1.541525 2.522216 2.528462 3.015929 3.147734 3.904012 0.000000 10.715005 3.148046 4.383853 5.028451 6.562884 1.531780 2.594756 2.566945 3.807152 3.832217 2.958887 2.502604 0.000000 6.032459 2.900923 3.250679 3.494888 4.035060 3.624174 2.513028 3.744709 1.338471 2.581021 3.376762 3.908632 5.000270 0.000000 4.568212 4.333955 4.421997 4.654808 4.642048 4.864735 3.927794 4.676592 2.541568 3.243015 4.708244 4.993471 6.317072 1.466154 0.000000 8.228225 4.166789 1.347690 2.205813 1.322700 4.853979 3.544095 4.876194 3.490435 4.269391 2.542614 6.027628 5.478832 3.597490 4.403320 0.000000 4.022600 5.375234 5.120292 5.629438 5.238620 5.359332 4.664993 4.753542 3.145160 3.206664 5.310334 5.589455 6.821804 2.543148 1.406063 4.861131 0.000000 4.018222 5.001904 5.289293 5.192765 5.185759 5.959791 4.940243 5.965380 3.734728 4.594773 5.756888 5.880614 7.388912 2.463933 1.406873 5.267919 2.402482 0.000000 8.484317 4.035715 2.098663 1.325750 1.357011 5.670038 4.136953 6.154007 4.284193 5.527828 3.491183 6.531877 6.267625 3.917236 4.744843 2.094997 5.650387 5.105764 0.000000 2.728939 6.680815 6.392569 6.824648 6.205371 6.704011 6.043191 6.038802 4.524531 4.505386 6.679956 6.819322 8.182540 3.809994 2.439783 5.996136 1.391113 2.778048 6.679860 0.000000 2.729668 6.382213 6.531629 6.468686 6.164235 7.195733 6.259866 7.038640 4.956316 5.586464 7.043547 7.060205 8.663393 3.759306 2.444661 6.335619 2.787788 1.389235 6.225815 2.419199 0.000000 1.759110 7.100364 6.999493 7.180181 6.612927 7.504947 6.716090 7.057713 5.263698 5.537183 7.430371 7.459540 9.002331 4.273572 2.809110 6.643839 2.403123 2.396720 6.925700 1.391049 1.391629 0.000000 8.989830 4.488593 5.341608 6.280711 7.112166 2.193660 3.374667 1.091911 3.307001 2.209529 4.142546 2.649083 3.005925 4.523810 5.294195 5.947459 5.234236 6.552330 7.221550 6.408239 7.529713 7.454976 0.000000 9.274825 4.207579 4.153999 5.295787 5.933020 2.181639 2.870009 1.094432 3.061403 2.188743 2.951325 3.455854 2.665362 4.374013 5.314213 4.663027 5.290118 6.655333 6.183857 6.570487 7.719626 7.671316 1.751503 0.000000 6.602581 4.307083 4.886790 5.684534 6.105346 3.107635 3.272152 2.206294 2.149277 1.094111 4.244327 3.294549 4.537223 2.849335 3.124602 5.188110 2.902397 4.390480 6.312471 4.040734 5.220815 5.064110 2.393878 3.012726 0.000000 7.026115 4.474103 3.959022 5.041852 5.038052 3.332411 3.162615 2.195852 2.179704 1.095315 3.455453 4.204715 4.510124 3.036682 3.448495 3.971547 3.078702 4.855287 5.535326 4.299310 5.717637 5.477865 2.830115 2.348269 1.751523 0.000000 9.233733 3.366878 2.059654 3.311825 3.925942 2.776171 2.205110 2.738434 2.780878 2.970932 1.089771 4.256992 3.103878 3.804576 4.967268 2.655209 5.285270 6.166843 4.146584 6.632114 7.359760 7.549190 3.782246 2.277744 4.063041 2.941139 0.000000 10.195778 2.604280 2.073004 2.707361 4.205347 2.882242 2.176605 3.676094 3.459103 4.135643 1.090099 4.167787 2.705951 4.305605 5.697171 3.255687 6.372432 6.665327 3.881000 7.745480 7.990433 8.454422 4.654046 3.469060 5.141480 4.443740 1.774955 0.000000 9.615344 2.481739 5.165012 5.307373 7.085799 2.180313 2.802744 3.483471 3.572036 4.046372 4.147498 1.090275 2.742291 4.268386 5.441532 6.314377 6.243096 6.146120 6.494350 7.465852 7.382874 7.958108 3.700367 4.311329 4.245567 5.092945 4.719442 4.212752 0.000000 8.109323 2.978489 5.140374 5.489544 6.819273 2.196075 2.734233 2.762320 2.670709 2.839873 4.248103 1.092724 3.471731 3.317568 4.192397 6.018352 4.780650 5.013107 6.476755 5.928455 6.117439 6.502756 2.862685 3.821167 2.697323 3.934358 4.597938 4.727430 1.761378 0.000000 9.723545 3.815880 5.941435 6.427761 7.893941 2.167672 3.477580 2.788830 3.907485 3.678489 4.725215 1.093773 2.736458 4.865729 5.835678 6.924672 6.266125 6.756694 7.567045 7.436191 7.855052 8.145025 2.481593 3.657838 3.682383 4.686128 4.915129 4.920009 1.776379 1.772074 0.000000 11.271641 4.066721 5.446512 6.113753 7.610789 2.166607 3.533509 2.886500 4.566829 4.328658 4.007360 2.688021 1.093628 5.788541 7.018397 6.492386 7.421944 8.106535 7.348238 8.739389 9.330468 9.600902 2.922782 3.012847 4.867538 5.029448 4.015735 3.775388 3.002883 3.713787 2.464225 0.000000 11.033041 3.674560 4.124034 4.942979 6.266829 2.197283 2.921413 2.785702 4.104060 4.039049 2.700720 3.477089 1.093581 5.335834 6.642348 5.107870 7.049575 7.790496 6.115480 8.421982 9.055022 9.322839 3.351788 2.437901 4.899707 4.473857 2.588111 2.339695 3.783729 4.348064 3.718588 1.759678 0.000000 11.147770 2.864118 4.465205 4.832823 6.645955 2.171109 2.820570 3.508060 4.234268 4.587137 3.179678 2.785914 1.093307 5.260100 6.658984 5.701737 7.351506 7.587622 6.139643 8.717813 8.918279 9.410861 3.988538 3.680339 5.277524 5.321279 3.625827 2.657098 2.578414 3.783849 3.153491 1.767918 1.774876 0.000000 8.846108 0.971436 2.479834 2.009034 4.066810 3.267445 1.959498 4.372113 2.860392 4.224965 2.423031 3.728629 3.865537 2.985744 4.382876 3.685018 5.509108 4.923354 3.188682 6.779550 6.310078 7.111133 5.279085 4.775469 4.897917 4.842944 3.480379 2.578544 3.424201 3.867412 4.783754 4.861153 4.203626 3.512891 0.000000 6.512457 2.504692 3.114012 2.924803 3.823083 3.964870 2.648784 4.442084 2.060515 3.507355 3.449808 4.168395 5.187331 1.086710 2.151628 3.636034 3.445749 2.598301 3.363935 4.583544 3.983422 4.787007 5.267599 5.047696 3.840871 4.011406 4.137088 4.211297 4.251768 3.679293 5.217976 6.055529 5.560709 5.222057 2.338523 0.000000 8.222632 4.815436 2.135306 3.233986 2.148061 4.997075 3.916762 4.696883 3.693082 4.088203 2.881547 6.269260 5.619739 3.982495 4.630341 1.079049 4.776294 5.654828 3.151953 5.871447 6.613680 6.699072 5.715272 4.322784 5.016134 3.540309 2.559604 3.664362 6.715179 6.258092 7.061141 6.548820 5.135234 6.025596 4.496897 4.283341 0.000000 4.854892 5.370315 4.915280 5.666134 5.244660 4.932680 4.413144 4.075204 2.929679 2.555747 4.929804 5.353417 6.332531 2.798483 2.163189 4.629387 1.080000 3.392140 5.790294 2.126028 3.867159 3.370878 4.531720 4.489192 2.343417 2.180457 4.703557 6.005464 6.135550 4.667848 5.936788 6.882433 6.460763 6.988223 5.583444 3.833114 4.342122 0.000000 4.866054 4.652538 5.215465 4.852920 5.154191 6.013478 4.895536 6.289734 3.958372 5.070882 5.740003 5.852608 7.356728 2.648084 2.154597 5.365046 3.388715 1.084693 4.799961 3.862696 2.136434 3.376034 6.928001 7.004058 4.970798 5.462245 6.324523 6.530911 5.923494 5.052458 6.799643 8.119472 7.813151 7.397770 4.475170 2.327433 5.936572 4.297167 0.000000 8.708975 4.644992 3.138417 2.104256 2.150854 6.533419 4.985103 7.114941 5.122406 6.448974 4.473675 7.258038 7.124543 4.567605 5.268244 3.137412 6.271774 5.355992 1.079119 7.184556 6.398307 7.235467 8.165144 7.208790 7.160263 6.505366 5.197176 4.766390 7.108118 7.159548 8.323095 8.205304 7.037108 6.886533 3.722752 3.846743 4.165198 6.554314 4.891862 0.000000 2.862358 7.519492 7.076933 7.641975 6.867228 7.275358 6.745938 6.412493 5.221306 4.924761 7.303204 7.449107 8.723876 4.693235 3.420584 6.581192 2.153821 3.860591 7.482637 1.082629 3.397195 2.147295 6.684091 6.858290 4.411526 4.555355 7.109845 8.385212 8.190336 6.585982 7.964175 9.214202 8.901739 9.355035 7.659330 5.547504 6.293796 2.451587 4.945194 8.041943 0.000000 2.866411 7.042070 7.298885 7.072533 6.804148 8.061543 7.085072 8.015256 5.872912 6.599688 7.884434 7.831983 9.507855 4.618472 3.425548 7.124353 3.870255 2.154706 6.755192 3.398196 1.082487 2.149550 8.503892 8.723479 6.228161 6.775822 8.281363 8.781923 8.051041 6.880385 8.642336 10.185870 9.939714 9.680765 6.910065 4.652820 7.487508 4.949505 2.468621 6.766126 4.287544 0.000000 C17H20ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4156445 0.1464607 0.1222606 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 612 RedAO= T EigKep= 1.05D-06 NBF= 612 NBsUse= 609 1.00D-06 EigRej= 8.00D-07 NBFU= 609 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 628 628 628 628 628 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1359.82316591344 -1359.82316591362 -0.000000000173 -1359.82316591 2 1.354833245799e+03 -7.053410013936e+03 2.404637646259e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3774052475 LenY= 3773649885 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT1277.400S Sat Aug 14 08:39:16 2021 GINC-BELVIS17 PAULAPLA 14-Aug-2021 0 Wavefunction triticonazole_Z CONF1 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1359.8231659 RMSD=7.961e-10 Dipole=-1.1278878,0.6365938,-0.8471544 Quadrupole=-4.1901658,-3.3681225,7.5582883,-1.0002762,6.941393,-5.7484646 PG=C01 [X(C17H20Cl1N3O1)] 0 6.0579011448 0.3655390085 -0.1260965434 0 -2.6031041733 0.2222875356 1.6700102611 0 -2.3264793511 -1.8994411058 -0.3641996864 0 -2.2633705968 -2.4838751888 0.861717789 0 -0.9842624763 -3.6181530914 -0.6139439697 0 -3.0226839858 1.890180386 -0.0608132219 0 -2.3991592329 0.5006735565 0.2977244003 0 -2.3227795331 2.2251777654 -1.3978095091 0 -0.9381379191 0.6719239053 -0.1229945999 0 -0.8933321515 1.6335745236 -1.2916819609 0 -3.0388648747 -0.64272533 -0.5441680895 0 -2.608019633 2.9082574077 1.0198675472 0 -4.5503583678 1.8735487573 -0.1716543516 0 0.0690716166 0.0997811327 0.5475915044 0 1.5154444434 0.1799158939 0.3213336188 0 -1.5445408981 -2.5852715438 -1.2212160619 0 2.1135281664 0.5979771117 -0.880554361 0 2.3720107601 -0.19942088 1.3709481047 0 -1.449028417 -3.5096887829 0.6563739698 0 3.4963114764 0.6556301441 -1.0212025637 0 3.7546202461 -0.1432043996 1.2476442925 0 4.3089516273 0.2902711994 0.0470412667 0 -2.3132207685 3.3011800832 -1.5832737663 0 -2.8643231753 1.7710352498 -2.2334329752 0 -0.1432659416 2.4087435527 -1.108401622 0 -0.6024453417 1.1399974665 -2.2252141646 0 -3.0225070803 -0.4138716516 -1.6095124771 0 -4.0717687046 -0.7891480643 -0.227961272 0 -3.0418345221 2.6445777406 1.984738883 0 -1.5232776844 2.9481417469 1.1455211952 0 -2.9574191118 3.9050673492 0.7359137946 0 -4.9260941346 2.8865747901 -0.3408378408 0 -4.9042283996 1.255914851 -1.0018496474 0 -4.9970355184 1.5000403241 0.7537052983 0 -2.5020214088 -0.7326388991 1.8169321087 0 -0.2107843812 -0.4777436088 1.4245660868 0 -1.4220665522 -2.3039935742 -2.2557353745 0 1.5030932428 0.8618640621 -1.7315137915 0 1.9421233849 -0.540440292 2.3066093974 0 -1.1913360217 -4.1973464034 1.4470817927 0 3.9418750784 0.9746488587 -1.9548973228 0 4.3969725511 -0.4337820692 2.0690609055 Gaussian 16 14-Aug-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(C17H20ClN3O)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/triticonazole_Z/gas/CONF1/opt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum triticonazole_Z CONF1 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 634 A 612 A 612 969 634 84 84 1934.1668836601 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0509276958 0.000000 8.846442 0.000000 8.688191 2.952332 0.000000 8.850904 2.844657 1.359566 0.000000 8.105545 4.752481 2.194969 2.258380 0.000000 9.207922 2.440013 3.864968 4.534312 5.899394 0.000000 8.468752 1.415013 2.490778 3.040404 4.449472 1.564628 0.000000 8.678209 3.674462 4.252158 5.223425 6.045708 1.545849 2.419625 0.000000 7.002745 2.487801 2.932165 3.561596 4.318324 2.415232 1.530005 2.440283 0.000000 7.161435 3.699550 3.923816 4.844329 5.296059 2.472857 2.465196 1.550670 1.514137 0.000000 9.162016 2.416758 1.455753 2.442896 3.616549 2.578663 1.557359 3.076743 2.513711 3.216151 0.000000 9.103671 2.763538 5.010875 5.405450 6.920980 1.541525 2.522216 2.528462 3.015929 3.147734 3.904012 0.000000 10.715005 3.148046 4.383853 5.028451 6.562884 1.531780 2.594756 2.566945 3.807152 3.832217 2.958887 2.502604 0.000000 6.032459 2.900923 3.250679 3.494888 4.035060 3.624174 2.513028 3.744709 1.338471 2.581021 3.376762 3.908632 5.000270 0.000000 4.568212 4.333955 4.421997 4.654808 4.642048 4.864735 3.927794 4.676592 2.541568 3.243015 4.708244 4.993471 6.317072 1.466154 0.000000 8.228225 4.166789 1.347690 2.205813 1.322700 4.853979 3.544095 4.876194 3.490435 4.269391 2.542614 6.027628 5.478832 3.597490 4.403320 0.000000 4.022600 5.375234 5.120292 5.629438 5.238620 5.359332 4.664993 4.753542 3.145160 3.206664 5.310334 5.589455 6.821804 2.543148 1.406063 4.861131 0.000000 4.018222 5.001904 5.289293 5.192765 5.185759 5.959791 4.940243 5.965380 3.734728 4.594773 5.756888 5.880614 7.388912 2.463933 1.406873 5.267919 2.402482 0.000000 8.484317 4.035715 2.098663 1.325750 1.357011 5.670038 4.136953 6.154007 4.284193 5.527828 3.491183 6.531877 6.267625 3.917236 4.744843 2.094997 5.650387 5.105764 0.000000 2.728939 6.680815 6.392569 6.824648 6.205371 6.704011 6.043191 6.038802 4.524531 4.505386 6.679956 6.819322 8.182540 3.809994 2.439783 5.996136 1.391113 2.778048 6.679860 0.000000 2.729668 6.382213 6.531629 6.468686 6.164235 7.195733 6.259866 7.038640 4.956316 5.586464 7.043547 7.060205 8.663393 3.759306 2.444661 6.335619 2.787788 1.389235 6.225815 2.419199 0.000000 1.759110 7.100364 6.999493 7.180181 6.612927 7.504947 6.716090 7.057713 5.263698 5.537183 7.430371 7.459540 9.002331 4.273572 2.809110 6.643839 2.403123 2.396720 6.925700 1.391049 1.391629 0.000000 8.989830 4.488593 5.341608 6.280711 7.112166 2.193660 3.374667 1.091911 3.307001 2.209529 4.142546 2.649083 3.005925 4.523810 5.294195 5.947459 5.234236 6.552330 7.221550 6.408239 7.529713 7.454976 0.000000 9.274825 4.207579 4.153999 5.295787 5.933020 2.181639 2.870009 1.094432 3.061403 2.188743 2.951325 3.455854 2.665362 4.374013 5.314213 4.663027 5.290118 6.655333 6.183857 6.570487 7.719626 7.671316 1.751503 0.000000 6.602581 4.307083 4.886790 5.684534 6.105346 3.107635 3.272152 2.206294 2.149277 1.094111 4.244327 3.294549 4.537223 2.849335 3.124602 5.188110 2.902397 4.390480 6.312471 4.040734 5.220815 5.064110 2.393878 3.012726 0.000000 7.026115 4.474103 3.959022 5.041852 5.038052 3.332411 3.162615 2.195852 2.179704 1.095315 3.455453 4.204715 4.510124 3.036682 3.448495 3.971547 3.078702 4.855287 5.535326 4.299310 5.717637 5.477865 2.830115 2.348269 1.751523 0.000000 9.233733 3.366878 2.059654 3.311825 3.925942 2.776171 2.205110 2.738434 2.780878 2.970932 1.089771 4.256992 3.103878 3.804576 4.967268 2.655209 5.285270 6.166843 4.146584 6.632114 7.359760 7.549190 3.782246 2.277744 4.063041 2.941139 0.000000 10.195778 2.604280 2.073004 2.707361 4.205347 2.882242 2.176605 3.676094 3.459103 4.135643 1.090099 4.167787 2.705951 4.305605 5.697171 3.255687 6.372432 6.665327 3.881000 7.745480 7.990433 8.454422 4.654046 3.469060 5.141480 4.443740 1.774955 0.000000 9.615344 2.481739 5.165012 5.307373 7.085799 2.180313 2.802744 3.483471 3.572036 4.046372 4.147498 1.090275 2.742291 4.268386 5.441532 6.314377 6.243096 6.146120 6.494350 7.465852 7.382874 7.958108 3.700367 4.311329 4.245567 5.092945 4.719442 4.212752 0.000000 8.109323 2.978489 5.140374 5.489544 6.819273 2.196075 2.734233 2.762320 2.670709 2.839873 4.248103 1.092724 3.471731 3.317568 4.192397 6.018352 4.780650 5.013107 6.476755 5.928455 6.117439 6.502756 2.862685 3.821167 2.697323 3.934358 4.597938 4.727430 1.761378 0.000000 9.723545 3.815880 5.941435 6.427761 7.893941 2.167672 3.477580 2.788830 3.907485 3.678489 4.725215 1.093773 2.736458 4.865729 5.835678 6.924672 6.266125 6.756694 7.567045 7.436191 7.855052 8.145025 2.481593 3.657838 3.682383 4.686128 4.915129 4.920009 1.776379 1.772074 0.000000 11.271641 4.066721 5.446512 6.113753 7.610789 2.166607 3.533509 2.886500 4.566829 4.328658 4.007360 2.688021 1.093628 5.788541 7.018397 6.492386 7.421944 8.106535 7.348238 8.739389 9.330468 9.600902 2.922782 3.012847 4.867538 5.029448 4.015735 3.775388 3.002883 3.713787 2.464225 0.000000 11.033041 3.674560 4.124034 4.942979 6.266829 2.197283 2.921413 2.785702 4.104060 4.039049 2.700720 3.477089 1.093581 5.335834 6.642348 5.107870 7.049575 7.790496 6.115480 8.421982 9.055022 9.322839 3.351788 2.437901 4.899707 4.473857 2.588111 2.339695 3.783729 4.348064 3.718588 1.759678 0.000000 11.147770 2.864118 4.465205 4.832823 6.645955 2.171109 2.820570 3.508060 4.234268 4.587137 3.179678 2.785914 1.093307 5.260100 6.658984 5.701737 7.351506 7.587622 6.139643 8.717813 8.918279 9.410861 3.988538 3.680339 5.277524 5.321279 3.625827 2.657098 2.578414 3.783849 3.153491 1.767918 1.774876 0.000000 8.846108 0.971436 2.479834 2.009034 4.066810 3.267445 1.959498 4.372113 2.860392 4.224965 2.423031 3.728629 3.865537 2.985744 4.382876 3.685018 5.509108 4.923354 3.188682 6.779550 6.310078 7.111133 5.279085 4.775469 4.897917 4.842944 3.480379 2.578544 3.424201 3.867412 4.783754 4.861153 4.203626 3.512891 0.000000 6.512457 2.504692 3.114012 2.924803 3.823083 3.964870 2.648784 4.442084 2.060515 3.507355 3.449808 4.168395 5.187331 1.086710 2.151628 3.636034 3.445749 2.598301 3.363935 4.583544 3.983422 4.787007 5.267599 5.047696 3.840871 4.011406 4.137088 4.211297 4.251768 3.679293 5.217976 6.055529 5.560709 5.222057 2.338523 0.000000 8.222632 4.815436 2.135306 3.233986 2.148061 4.997075 3.916762 4.696883 3.693082 4.088203 2.881547 6.269260 5.619739 3.982495 4.630341 1.079049 4.776294 5.654828 3.151953 5.871447 6.613680 6.699072 5.715272 4.322784 5.016134 3.540309 2.559604 3.664362 6.715179 6.258092 7.061141 6.548820 5.135234 6.025596 4.496897 4.283341 0.000000 4.854892 5.370315 4.915280 5.666134 5.244660 4.932680 4.413144 4.075204 2.929679 2.555747 4.929804 5.353417 6.332531 2.798483 2.163189 4.629387 1.080000 3.392140 5.790294 2.126028 3.867159 3.370878 4.531720 4.489192 2.343417 2.180457 4.703557 6.005464 6.135550 4.667848 5.936788 6.882433 6.460763 6.988223 5.583444 3.833114 4.342122 0.000000 4.866054 4.652538 5.215465 4.852920 5.154191 6.013478 4.895536 6.289734 3.958372 5.070882 5.740003 5.852608 7.356728 2.648084 2.154597 5.365046 3.388715 1.084693 4.799961 3.862696 2.136434 3.376034 6.928001 7.004058 4.970798 5.462245 6.324523 6.530911 5.923494 5.052458 6.799643 8.119472 7.813151 7.397770 4.475170 2.327433 5.936572 4.297167 0.000000 8.708975 4.644992 3.138417 2.104256 2.150854 6.533419 4.985103 7.114941 5.122406 6.448974 4.473675 7.258038 7.124543 4.567605 5.268244 3.137412 6.271774 5.355992 1.079119 7.184556 6.398307 7.235467 8.165144 7.208790 7.160263 6.505366 5.197176 4.766390 7.108118 7.159548 8.323095 8.205304 7.037108 6.886533 3.722752 3.846743 4.165198 6.554314 4.891862 0.000000 2.862358 7.519492 7.076933 7.641975 6.867228 7.275358 6.745938 6.412493 5.221306 4.924761 7.303204 7.449107 8.723876 4.693235 3.420584 6.581192 2.153821 3.860591 7.482637 1.082629 3.397195 2.147295 6.684091 6.858290 4.411526 4.555355 7.109845 8.385212 8.190336 6.585982 7.964175 9.214202 8.901739 9.355035 7.659330 5.547504 6.293796 2.451587 4.945194 8.041943 0.000000 2.866411 7.042070 7.298885 7.072533 6.804148 8.061543 7.085072 8.015256 5.872912 6.599688 7.884434 7.831983 9.507855 4.618472 3.425548 7.124353 3.870255 2.154706 6.755192 3.398196 1.082487 2.149550 8.503892 8.723479 6.228161 6.775822 8.281363 8.781923 8.051041 6.880385 8.642336 10.185870 9.939714 9.680765 6.910065 4.652820 7.487508 4.949505 2.468621 6.766126 4.287544 0.000000 C17H20ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4156445 0.1464607 0.1222606 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 612 RedAO= T EigKep= 1.05D-06 NBF= 612 NBsUse= 609 1.00D-06 EigRej= 8.00D-07 NBFU= 609 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 628 628 628 628 628 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1359.82316591345 -1359.82316591361 -0.000000000163 -1359.82316591 2 1.354833245799e+03 -7.053410013936e+03 2.404637646259e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3774052475 LenY= 3773649885 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 4.5513 272.41 0.4402 0.000 83 85 0.16116 84 85 0.58981 84 86 0.33893 -1359.65590874 2 Singlet-A 4.6550 266.35 0.2435 0.000 83 85 0.28800 84 85 -0.36924 84 86 0.51636 3 Singlet-A 4.9810 248.91 0.0167 0.000 84 86 0.11526 84 87 0.67992 84 88 -0.11286 4 Singlet-A 5.2205 237.50 0.0016 0.000 84 87 0.12067 84 88 0.66899 84 89 -0.16503 5 Singlet-A 5.4238 228.59 0.0092 0.000 80 85 0.12898 81 85 -0.11425 82 85 0.67453 6 Singlet-A 5.5524 223.30 0.0034 0.000 84 88 0.13479 84 89 0.61934 84 90 -0.12107 84 91 -0.16396 84 92 0.14608 7 Singlet-A 5.6377 219.92 0.0739 0.000 80 86 -0.16201 81 86 -0.10907 82 86 0.12762 83 85 0.55087 84 86 -0.28380 84 88 -0.10797 8 Singlet-A 5.6905 217.88 0.0027 0.000 81 85 0.67060 82 85 0.12490 84 90 0.10855 9 Singlet-A 5.7527 215.52 0.0057 0.000 80 85 0.40482 84 90 0.49138 84 92 0.10826 84 93 0.17697 84 94 0.12927 10 Singlet-A 5.8448 212.13 0.0032 0.000 80 85 0.13024 84 89 0.22194 84 91 0.56021 84 92 -0.30748 PT38429.200S Sat Aug 14 09:19:37 2021 GINC-BELVIS17 PAULAPLA 14-Aug-2021 0 Electronic spectrum triticonazole_Z CONF1 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1359.8231659 RMSD=7.704e-10 PG=C01 [X(C17H20Cl1N3O1)] 0 6.0579011448 0.3655390085 -0.1260965434 0 -2.6031041733 0.2222875356 1.6700102611 0 -2.3264793511 -1.8994411058 -0.3641996864 0 -2.2633705968 -2.4838751888 0.861717789 0 -0.9842624763 -3.6181530914 -0.6139439697 0 -3.0226839858 1.890180386 -0.0608132219 0 -2.3991592329 0.5006735565 0.2977244003 0 -2.3227795331 2.2251777654 -1.3978095091 0 -0.9381379191 0.6719239053 -0.1229945999 0 -0.8933321515 1.6335745236 -1.2916819609 0 -3.0388648747 -0.64272533 -0.5441680895 0 -2.608019633 2.9082574077 1.0198675472 0 -4.5503583678 1.8735487573 -0.1716543516 0 0.0690716166 0.0997811327 0.5475915044 0 1.5154444434 0.1799158939 0.3213336188 0 -1.5445408981 -2.5852715438 -1.2212160619 0 2.1135281664 0.5979771117 -0.880554361 0 2.3720107601 -0.19942088 1.3709481047 0 -1.449028417 -3.5096887829 0.6563739698 0 3.4963114764 0.6556301441 -1.0212025637 0 3.7546202461 -0.1432043996 1.2476442925 0 4.3089516273 0.2902711994 0.0470412667 0 -2.3132207685 3.3011800832 -1.5832737663 0 -2.8643231753 1.7710352498 -2.2334329752 0 -0.1432659416 2.4087435527 -1.108401622 0 -0.6024453417 1.1399974665 -2.2252141646 0 -3.0225070803 -0.4138716516 -1.6095124771 0 -4.0717687046 -0.7891480643 -0.227961272 0 -3.0418345221 2.6445777406 1.984738883 0 -1.5232776844 2.9481417469 1.1455211952 0 -2.9574191118 3.9050673492 0.7359137946 0 -4.9260941346 2.8865747901 -0.3408378408 0 -4.9042283996 1.255914851 -1.0018496474 0 -4.9970355184 1.5000403241 0.7537052983 0 -2.5020214088 -0.7326388991 1.8169321087 0 -0.2107843812 -0.4777436088 1.4245660868 0 -1.4220665522 -2.3039935742 -2.2557353745 0 1.5030932428 0.8618640621 -1.7315137915 0 1.9421233849 -0.540440292 2.3066093974 0 -1.1913360217 -4.1973464034 1.4470817927 0 3.9418750784 0.9746488587 -1.9548973228 0 4.3969725511 -0.4337820692 2.0690609055 Gaussian 16 14-Aug-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(C17H20ClN3O)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/triticonazole_Z/gas/CONF1/opt #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point triticonazole_Z CONF1 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1178 A 1046 A 1046 1513 1178 84 84 1934.1668836601 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0509276958 0.000000 8.846442 0.000000 8.688191 2.952332 0.000000 8.850904 2.844657 1.359566 0.000000 8.105545 4.752481 2.194969 2.258380 0.000000 9.207922 2.440013 3.864968 4.534312 5.899394 0.000000 8.468752 1.415013 2.490778 3.040404 4.449472 1.564628 0.000000 8.678209 3.674462 4.252158 5.223425 6.045708 1.545849 2.419625 0.000000 7.002745 2.487801 2.932165 3.561596 4.318324 2.415232 1.530005 2.440283 0.000000 7.161435 3.699550 3.923816 4.844329 5.296059 2.472857 2.465196 1.550670 1.514137 0.000000 9.162016 2.416758 1.455753 2.442896 3.616549 2.578663 1.557359 3.076743 2.513711 3.216151 0.000000 9.103671 2.763538 5.010875 5.405450 6.920980 1.541525 2.522216 2.528462 3.015929 3.147734 3.904012 0.000000 10.715005 3.148046 4.383853 5.028451 6.562884 1.531780 2.594756 2.566945 3.807152 3.832217 2.958887 2.502604 0.000000 6.032459 2.900923 3.250679 3.494888 4.035060 3.624174 2.513028 3.744709 1.338471 2.581021 3.376762 3.908632 5.000270 0.000000 4.568212 4.333955 4.421997 4.654808 4.642048 4.864735 3.927794 4.676592 2.541568 3.243015 4.708244 4.993471 6.317072 1.466154 0.000000 8.228225 4.166789 1.347690 2.205813 1.322700 4.853979 3.544095 4.876194 3.490435 4.269391 2.542614 6.027628 5.478832 3.597490 4.403320 0.000000 4.022600 5.375234 5.120292 5.629438 5.238620 5.359332 4.664993 4.753542 3.145160 3.206664 5.310334 5.589455 6.821804 2.543148 1.406063 4.861131 0.000000 4.018222 5.001904 5.289293 5.192765 5.185759 5.959791 4.940243 5.965380 3.734728 4.594773 5.756888 5.880614 7.388912 2.463933 1.406873 5.267919 2.402482 0.000000 8.484317 4.035715 2.098663 1.325750 1.357011 5.670038 4.136953 6.154007 4.284193 5.527828 3.491183 6.531877 6.267625 3.917236 4.744843 2.094997 5.650387 5.105764 0.000000 2.728939 6.680815 6.392569 6.824648 6.205371 6.704011 6.043191 6.038802 4.524531 4.505386 6.679956 6.819322 8.182540 3.809994 2.439783 5.996136 1.391113 2.778048 6.679860 0.000000 2.729668 6.382213 6.531629 6.468686 6.164235 7.195733 6.259866 7.038640 4.956316 5.586464 7.043547 7.060205 8.663393 3.759306 2.444661 6.335619 2.787788 1.389235 6.225815 2.419199 0.000000 1.759110 7.100364 6.999493 7.180181 6.612927 7.504947 6.716090 7.057713 5.263698 5.537183 7.430371 7.459540 9.002331 4.273572 2.809110 6.643839 2.403123 2.396720 6.925700 1.391049 1.391629 0.000000 8.989830 4.488593 5.341608 6.280711 7.112166 2.193660 3.374667 1.091911 3.307001 2.209529 4.142546 2.649083 3.005925 4.523810 5.294195 5.947459 5.234236 6.552330 7.221550 6.408239 7.529713 7.454976 0.000000 9.274825 4.207579 4.153999 5.295787 5.933020 2.181639 2.870009 1.094432 3.061403 2.188743 2.951325 3.455854 2.665362 4.374013 5.314213 4.663027 5.290118 6.655333 6.183857 6.570487 7.719626 7.671316 1.751503 0.000000 6.602581 4.307083 4.886790 5.684534 6.105346 3.107635 3.272152 2.206294 2.149277 1.094111 4.244327 3.294549 4.537223 2.849335 3.124602 5.188110 2.902397 4.390480 6.312471 4.040734 5.220815 5.064110 2.393878 3.012726 0.000000 7.026115 4.474103 3.959022 5.041852 5.038052 3.332411 3.162615 2.195852 2.179704 1.095315 3.455453 4.204715 4.510124 3.036682 3.448495 3.971547 3.078702 4.855287 5.535326 4.299310 5.717637 5.477865 2.830115 2.348269 1.751523 0.000000 9.233733 3.366878 2.059654 3.311825 3.925942 2.776171 2.205110 2.738434 2.780878 2.970932 1.089771 4.256992 3.103878 3.804576 4.967268 2.655209 5.285270 6.166843 4.146584 6.632114 7.359760 7.549190 3.782246 2.277744 4.063041 2.941139 0.000000 10.195778 2.604280 2.073004 2.707361 4.205347 2.882242 2.176605 3.676094 3.459103 4.135643 1.090099 4.167787 2.705951 4.305605 5.697171 3.255687 6.372432 6.665327 3.881000 7.745480 7.990433 8.454422 4.654046 3.469060 5.141480 4.443740 1.774955 0.000000 9.615344 2.481739 5.165012 5.307373 7.085799 2.180313 2.802744 3.483471 3.572036 4.046372 4.147498 1.090275 2.742291 4.268386 5.441532 6.314377 6.243096 6.146120 6.494350 7.465852 7.382874 7.958108 3.700367 4.311329 4.245567 5.092945 4.719442 4.212752 0.000000 8.109323 2.978489 5.140374 5.489544 6.819273 2.196075 2.734233 2.762320 2.670709 2.839873 4.248103 1.092724 3.471731 3.317568 4.192397 6.018352 4.780650 5.013107 6.476755 5.928455 6.117439 6.502756 2.862685 3.821167 2.697323 3.934358 4.597938 4.727430 1.761378 0.000000 9.723545 3.815880 5.941435 6.427761 7.893941 2.167672 3.477580 2.788830 3.907485 3.678489 4.725215 1.093773 2.736458 4.865729 5.835678 6.924672 6.266125 6.756694 7.567045 7.436191 7.855052 8.145025 2.481593 3.657838 3.682383 4.686128 4.915129 4.920009 1.776379 1.772074 0.000000 11.271641 4.066721 5.446512 6.113753 7.610789 2.166607 3.533509 2.886500 4.566829 4.328658 4.007360 2.688021 1.093628 5.788541 7.018397 6.492386 7.421944 8.106535 7.348238 8.739389 9.330468 9.600902 2.922782 3.012847 4.867538 5.029448 4.015735 3.775388 3.002883 3.713787 2.464225 0.000000 11.033041 3.674560 4.124034 4.942979 6.266829 2.197283 2.921413 2.785702 4.104060 4.039049 2.700720 3.477089 1.093581 5.335834 6.642348 5.107870 7.049575 7.790496 6.115480 8.421982 9.055022 9.322839 3.351788 2.437901 4.899707 4.473857 2.588111 2.339695 3.783729 4.348064 3.718588 1.759678 0.000000 11.147770 2.864118 4.465205 4.832823 6.645955 2.171109 2.820570 3.508060 4.234268 4.587137 3.179678 2.785914 1.093307 5.260100 6.658984 5.701737 7.351506 7.587622 6.139643 8.717813 8.918279 9.410861 3.988538 3.680339 5.277524 5.321279 3.625827 2.657098 2.578414 3.783849 3.153491 1.767918 1.774876 0.000000 8.846108 0.971436 2.479834 2.009034 4.066810 3.267445 1.959498 4.372113 2.860392 4.224965 2.423031 3.728629 3.865537 2.985744 4.382876 3.685018 5.509108 4.923354 3.188682 6.779550 6.310078 7.111133 5.279085 4.775469 4.897917 4.842944 3.480379 2.578544 3.424201 3.867412 4.783754 4.861153 4.203626 3.512891 0.000000 6.512457 2.504692 3.114012 2.924803 3.823083 3.964870 2.648784 4.442084 2.060515 3.507355 3.449808 4.168395 5.187331 1.086710 2.151628 3.636034 3.445749 2.598301 3.363935 4.583544 3.983422 4.787007 5.267599 5.047696 3.840871 4.011406 4.137088 4.211297 4.251768 3.679293 5.217976 6.055529 5.560709 5.222057 2.338523 0.000000 8.222632 4.815436 2.135306 3.233986 2.148061 4.997075 3.916762 4.696883 3.693082 4.088203 2.881547 6.269260 5.619739 3.982495 4.630341 1.079049 4.776294 5.654828 3.151953 5.871447 6.613680 6.699072 5.715272 4.322784 5.016134 3.540309 2.559604 3.664362 6.715179 6.258092 7.061141 6.548820 5.135234 6.025596 4.496897 4.283341 0.000000 4.854892 5.370315 4.915280 5.666134 5.244660 4.932680 4.413144 4.075204 2.929679 2.555747 4.929804 5.353417 6.332531 2.798483 2.163189 4.629387 1.080000 3.392140 5.790294 2.126028 3.867159 3.370878 4.531720 4.489192 2.343417 2.180457 4.703557 6.005464 6.135550 4.667848 5.936788 6.882433 6.460763 6.988223 5.583444 3.833114 4.342122 0.000000 4.866054 4.652538 5.215465 4.852920 5.154191 6.013478 4.895536 6.289734 3.958372 5.070882 5.740003 5.852608 7.356728 2.648084 2.154597 5.365046 3.388715 1.084693 4.799961 3.862696 2.136434 3.376034 6.928001 7.004058 4.970798 5.462245 6.324523 6.530911 5.923494 5.052458 6.799643 8.119472 7.813151 7.397770 4.475170 2.327433 5.936572 4.297167 0.000000 8.708975 4.644992 3.138417 2.104256 2.150854 6.533419 4.985103 7.114941 5.122406 6.448974 4.473675 7.258038 7.124543 4.567605 5.268244 3.137412 6.271774 5.355992 1.079119 7.184556 6.398307 7.235467 8.165144 7.208790 7.160263 6.505366 5.197176 4.766390 7.108118 7.159548 8.323095 8.205304 7.037108 6.886533 3.722752 3.846743 4.165198 6.554314 4.891862 0.000000 2.862358 7.519492 7.076933 7.641975 6.867228 7.275358 6.745938 6.412493 5.221306 4.924761 7.303204 7.449107 8.723876 4.693235 3.420584 6.581192 2.153821 3.860591 7.482637 1.082629 3.397195 2.147295 6.684091 6.858290 4.411526 4.555355 7.109845 8.385212 8.190336 6.585982 7.964175 9.214202 8.901739 9.355035 7.659330 5.547504 6.293796 2.451587 4.945194 8.041943 0.000000 2.866411 7.042070 7.298885 7.072533 6.804148 8.061543 7.085072 8.015256 5.872912 6.599688 7.884434 7.831983 9.507855 4.618472 3.425548 7.124353 3.870255 2.154706 6.755192 3.398196 1.082487 2.149550 8.503892 8.723479 6.228161 6.775822 8.281363 8.781923 8.051041 6.880385 8.642336 10.185870 9.939714 9.680765 6.910065 4.652820 7.487508 4.949505 2.468621 6.766126 4.287544 0.000000 C17H20ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:12,13,17,18,20,21,10,8,14,11,19,16,15,9,22,6,7,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,9.3,11.3,12.3,13.3,14.3,15.3,19.2,20.2/rA:42ClONN2N2CCCC3CCCCC3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;s3;;;s2s6;s6;s7;s8s9;s3s7;s6;s6;s9;s14;s3s5;s15;s15;s4s5;s17;s18;s1s20s21;s8;s8;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s2;s14;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4156445 0.1464607 0.1222606 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 1046 RedAO= T EigKep= 1.17D-06 NBF= 1046 NBsUse= 1041 1.00D-06 EigRej= 8.51D-07 NBFU= 1041 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1159 1159 1159 1159 1159 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1359.82867479658 -1359.88807190216 -0.059397105584 -1359.88793824111 0.000133661048 -1359.88839087147 -0.000452630361 -1359.88842123796 -0.000030366484 -1359.88842842463 -0.000007186668 -1359.88842925968 -0.000000835058 -1359.88842930642 -0.000000046739 -1359.88842931663 -0.000000010204 -1359.88842931733 -0.000000000708 -1359.88842931762 -0.000000000281 -1359.88842931743 0.000000000186 -1359.88842932 12 1.354540837221e+03 -7.053502038063e+03 2.404956815560e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3772068531 LenY= 3770679669 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT40715.800S Sat Aug 14 10:02:08 2021 GINC-BELVIS17 PAULAPLA 14-Aug-2021 0 Single Point triticonazole_Z CONF1 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1359.8884293 RMSD=7.003e-09 Dipole=-1.1324518,0.6296835,-0.8174109 Quadrupole=-4.2474781,-3.1835396,7.4310177,-0.9992493,6.7406072,-5.5197986 PG=C01 [X(C17H20Cl1N3O1)] 0 6.0579011448 0.3655390085 -0.1260965434 0 -2.6031041733 0.2222875356 1.6700102611 0 -2.3264793511 -1.8994411058 -0.3641996864 0 -2.2633705968 -2.4838751888 0.861717789 0 -0.9842624763 -3.6181530914 -0.6139439697 0 -3.0226839858 1.890180386 -0.0608132219 0 -2.3991592329 0.5006735565 0.2977244003 0 -2.3227795331 2.2251777654 -1.3978095091 0 -0.9381379191 0.6719239053 -0.1229945999 0 -0.8933321515 1.6335745236 -1.2916819609 0 -3.0388648747 -0.64272533 -0.5441680895 0 -2.608019633 2.9082574077 1.0198675472 0 -4.5503583678 1.8735487573 -0.1716543516 0 0.0690716166 0.0997811327 0.5475915044 0 1.5154444434 0.1799158939 0.3213336188 0 -1.5445408981 -2.5852715438 -1.2212160619 0 2.1135281664 0.5979771117 -0.880554361 0 2.3720107601 -0.19942088 1.3709481047 0 -1.449028417 -3.5096887829 0.6563739698 0 3.4963114764 0.6556301441 -1.0212025637 0 3.7546202461 -0.1432043996 1.2476442925 0 4.3089516273 0.2902711994 0.0470412667 0 -2.3132207685 3.3011800832 -1.5832737663 0 -2.8643231753 1.7710352498 -2.2334329752 0 -0.1432659416 2.4087435527 -1.108401622 0 -0.6024453417 1.1399974665 -2.2252141646 0 -3.0225070803 -0.4138716516 -1.6095124771 0 -4.0717687046 -0.7891480643 -0.227961272 0 -3.0418345221 2.6445777406 1.984738883 0 -1.5232776844 2.9481417469 1.1455211952 0 -2.9574191118 3.9050673492 0.7359137946 0 -4.9260941346 2.8865747901 -0.3408378408 0 -4.9042283996 1.255914851 -1.0018496474 0 -4.9970355184 1.5000403241 0.7537052983 0 -2.5020214088 -0.7326388991 1.8169321087 0 -0.2107843812 -0.4777436088 1.4245660868 0 -1.4220665522 -2.3039935742 -2.2557353745 0 1.5030932428 0.8618640621 -1.7315137915 0 1.9421233849 -0.540440292 2.3066093974 0 -1.1913360217 -4.1973464034 1.4470817927 0 3.9418750784 0.9746488587 -1.9548973228 0 4.3969725511 -0.4337820692 2.0690609055