Gaussian 16 GINC-FUENTE ALCAMI Optimization CONF12 gas EM64L-G16RevC.01 9-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 41 41 77 77 582 (5D, 7F) 6-311+G(d,p) 117 117 C1[X(C16H20N2O3)] C1[X(C16H20N2O3)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 268.1827999999999 0 1 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8725,-1.1856,-1.8196;.8994,-2.0575,.6022;2.5887,-2.5254,-.7857;-1.1966,.9565,.4588;-.7657,-.4811,-1.2006;-2.4813,.4788,-.0296;-3.2955,-.1965,1.0934;-2.1381,-.5242,-1.1347;-3.2362,1.645,-.6708;-2.5727,-1.4107,1.6689;-3.6464,.784,2.2076;-.2925,.392,-.231;1.1454,.6982,-.1198;2.1572,-.2625,-.1969;1.4893,2.0417,-.0149;2.8129,2.4601,-.0031;3.4841,.1541,-.2235;3.8075,1.4938,-.1241;1.9173,-1.7308,-.1851;3.1631,3.9141,.1016;.5477,-3.4341,.6663;-4.2223,-.5451,.6258;-3.3631,2.4554,.044;-2.6887,2.0434,-1.5258;-4.2169,1.3213,-1.0191;-2.3935,-2.1785,.9148;-1.6154,-1.13,2.1102;-3.1767,-1.8694,2.4526;-4.1933,.2723,3.0004;-4.2791,1.6005,1.861;-2.7462,1.216,2.6445;-.2174,-.9601,-1.8961;.6907,2.7697,.0497;4.2682,-.5871,-.2995;4.8491,1.7913,-.1325;3.9897,4.0751,.7934;3.4701,4.3128,-.8671;2.3181,4.5069,.4479;.202,-3.8025,-.3003;-.2611,-3.5007,1.3878;1.386,-4.0471,.9962; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/alcami/opt-b3lyp-pople.com-6479674/Gau-443517.inp" -scrdir="/temporal/alcami/opt-b3lyp-pople.com-6479674/" chk=opt-b3lyp-pople.chk #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 CONF12 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 16 16 16 14 14 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 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 2 2 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 (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 1 2 2 3 4 4 5 5 5 6 6 6 7 7 7 9 9 9 10 10 10 11 11 11 12 13 13 14 14 15 15 16 16 17 17 18 20 20 20 21 21 21 8 19 21 19 6 12 8 12 32 7 8 9 10 11 22 23 24 25 26 27 28 29 30 31 13 14 15 17 19 16 33 18 20 18 34 35 36 37 38 39 40 41 1.2024 1.3277 1.4222 1.2012 1.4551 1.2696 1.3746 1.3879 1.0069 1.5428 1.5314 1.53 1.5257 1.5251 1.0951 1.088 1.0906 1.0899 1.091 1.0908 1.0906 1.0907 1.0896 1.09 1.4743 1.3974 1.3907 1.391 1.4878 1.3883 1.0826 1.392 1.4993 1.3817 1.0817 1.0832 1.0899 1.0916 1.0887 1.0906 1.0859 1.0897 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 19 6 8 8 12 4 4 4 7 7 8 6 6 6 10 10 11 1 1 5 6 6 6 23 23 24 7 7 7 26 26 27 7 7 7 29 29 30 4 4 5 12 12 14 13 13 17 13 13 16 15 15 18 14 14 18 16 16 17 2 2 3 16 16 16 36 36 37 2 2 2 39 39 40 2 4 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 21 12 12 32 32 7 8 9 8 9 9 10 11 22 11 22 22 5 6 6 23 24 25 24 25 25 26 27 28 27 28 28 29 30 31 30 31 31 5 13 13 14 15 15 17 19 19 16 33 33 18 20 20 18 34 34 17 35 35 3 14 14 36 37 38 37 38 38 39 40 41 40 41 41 117.0335 107.4801 109.0699 124.1799 126.5936 111.4264 105.0353 109.0279 110.9077 112.2295 107.9029 111.8936 111.8262 105.9694 110.1882 107.9829 108.7764 126.8525 129.377 103.7531 110.4862 111.0593 110.5747 107.5486 109.0391 108.037 112.1546 111.323 110.082 108.4589 106.9566 107.6673 110.1709 112.5249 110.9532 106.9553 107.9819 108.0654 114.6091 124.1364 121.059 124.003 116.5846 119.2885 119.0702 124.1416 116.7158 121.8416 118.1463 120.0099 118.1173 121.0364 120.8279 120.818 119.1784 119.9875 120.8007 119.8039 119.3934 124.2097 111.7913 123.9667 111.386 110.9729 111.6501 107.2278 107.8352 107.5631 111.4297 105.8725 111.5878 109.3961 108.7949 109.7095 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 21 21 19 19 19 12 12 12 6 6 12 12 32 32 8 8 32 32 4 4 4 8 8 8 9 9 9 4 4 7 7 9 9 4 4 4 7 7 7 8 8 8 6 6 6 11 11 11 22 22 22 6 6 6 10 10 10 22 22 22 4 4 5 5 12 12 15 15 12 12 14 14 13 13 19 19 13 13 17 17 13 13 33 33 15 15 20 20 15 15 15 18 18 18 14 14 34 34 2 2 2 2 2 4 4 4 4 4 5 5 5 5 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 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 16 16 17 17 17 17 19 19 21 21 21 6 6 6 12 12 8 8 8 8 12 12 12 12 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 13 13 13 13 14 14 14 14 15 15 15 15 17 17 17 17 19 19 19 19 16 16 16 16 18 18 18 18 20 20 20 20 20 20 18 18 18 18 3 14 39 40 41 7 8 9 5 13 1 6 1 6 4 13 4 13 10 11 22 10 11 22 10 11 22 1 5 1 5 1 5 23 24 25 23 24 25 23 24 25 26 27 28 26 27 28 26 27 28 29 30 31 29 30 31 29 30 31 14 15 14 15 17 19 17 19 16 33 16 33 18 34 18 34 2 3 2 3 18 20 18 20 17 35 17 35 36 37 38 36 37 38 16 35 16 35 -3.7463 178.2526 -63.8503 177.3005 57.9878 121.7289 1.5728 -113.8526 -0.3057 174.6458 -179.307 2.1038 4.9839 -173.6052 -1.27 -176.3925 174.3084 -0.8141 -60.9165 63.2499 -178.3738 55.7138 179.8802 -61.7436 176.4857 -59.3479 59.0284 179.2268 -2.2337 58.7273 -122.7332 -64.5712 113.9683 -57.4756 61.784 -178.2864 66.4693 -174.2712 -54.3416 -171.0401 -51.7806 68.149 -60.5603 61.1701 -179.5164 174.3622 -63.9074 55.4061 55.6827 177.4131 -63.2734 -178.2144 62.5313 -58.6866 -53.0984 -172.3528 66.4294 65.0942 -54.1602 -175.3781 141.5635 -42.5228 -43.7955 132.1183 173.1273 -10.0738 -2.6828 174.1161 -175.2092 4.2492 0.9071 -179.6345 2.4534 -179.0072 -174.5807 3.9586 -35.3217 146.6714 141.5462 -36.4607 1.1361 179.5892 -178.3125 0.1407 -1.3973 179.1198 -179.8538 0.6633 137.163 -103.4469 16.5431 -44.4258 74.9643 -165.0457 -0.3932 179.0919 -178.9207 0.5643 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 603 A 582 A 916 603 1752.3381856242 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 582 RedAO= T EigKep= 1.18D-06 NBF= 582 NBsUse= 579 1.00D-06 EigRej= 6.58D-07 NBFU= 579 Berny optimization. local minimum Step number 26 out of a maximum of 224 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00009 0.00171 0.00210 0.00312 0.00411 0.00447 0.00509 0.00594 0.00923 0.01451 0.01754 0.01823 0.01982 0.02003 0.02197 0.02232 0.02258 0.02285 0.02309 0.02614 0.02820 0.03440 0.03646 0.04239 0.04697 0.04995 0.05142 0.05521 0.05527 0.05663 0.05671 0.05706 0.05741 0.07112 0.07159 0.07284 0.07334 0.09989 0.10313 0.10641 0.14238 0.14658 0.15735 0.15851 0.15971 0.15998 0.16000 0.16000 0.16002 0.16004 0.16006 0.16013 0.16023 0.16035 0.16044 0.16068 0.16111 0.16130 0.16295 0.16470 0.17895 0.18280 0.20511 0.22460 0.23514 0.23836 0.24295 0.24554 0.24755 0.24869 0.24980 0.25089 0.25894 0.27767 0.28779 0.29136 0.30250 0.30668 0.31629 0.32538 0.32964 0.34267 0.34443 0.34667 0.34691 0.34736 0.34743 0.34756 0.34772 0.34807 0.34827 0.34865 0.34892 0.34930 0.35043 0.35112 0.35239 0.35470 0.35617 0.35703 0.35826 0.36633 0.39128 0.41900 0.43177 0.45604 0.46419 0.46545 0.47187 0.47889 0.48493 0.50318 0.59088 0.72433 0.75585 1.03574 1.07347 -1.47696364e-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 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 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 2.28699 2.54443 2.72447 2.28647 2.78793 2.41713 2.61364 2.64979 1.90677 2.93982 2.91454 2.90529 2.90213 2.89850 2.07155 2.05928 2.06513 2.06406 2.06510 2.06567 2.06567 2.06641 2.06330 2.06458 2.79744 2.66006 2.64007 2.64148 2.82256 2.63864 2.04808 2.64357 2.84928 2.62446 2.04688 2.05000 2.06398 2.06986 2.06361 2.06284 2.05357 2.06084 2.02649 1.87563 1.90756 2.16603 2.20959 1.94278 1.83067 1.91077 1.91999 1.96776 1.88607 1.94499 1.95684 1.83786 1.92966 1.88616 1.90443 2.21293 2.25707 1.81311 1.92578 1.92694 1.91786 1.88527 1.91465 1.89276 1.94494 1.93413 1.92341 1.89275 1.87735 1.88938 1.91786 1.96071 1.92873 1.87450 1.89061 1.88929 1.99715 2.17624 2.10721 2.15880 2.04219 2.08052 2.07852 2.17118 2.03231 2.12671 2.05916 2.09727 2.06287 2.10618 2.11361 2.10919 2.06768 2.10608 2.10775 2.08936 2.08604 2.15708 1.95569 2.16980 1.94366 1.92956 1.94401 1.87619 1.89091 1.87679 1.92351 1.83860 1.92606 1.92999 1.90704 1.93803 -0.05646 3.12138 -1.11387 3.08708 0.99394 2.08895 0.01322 -2.00692 0.00809 3.07263 -3.11975 0.03394 0.02428 -3.10521 -0.02893 -3.09682 3.11014 0.04226 -1.08029 1.09325 -3.12111 0.94121 3.11475 -1.09962 3.04772 -1.06192 1.00690 3.12519 -0.02893 1.03419 -2.11993 -1.12081 2.00825 -1.03643 1.04630 3.13330 1.13640 -3.06406 -0.97706 -3.02099 -0.93825 1.14874 -1.06598 1.04346 3.13438 3.02848 -1.14526 0.94566 0.94527 3.05470 -1.13756 -3.12564 1.07182 -1.04019 -0.94363 -3.02935 1.14182 1.12852 -0.95720 -3.06921 2.43475 -0.76973 -0.78847 2.29023 3.03705 -0.15859 -0.04035 3.04720 -3.06766 0.06460 0.01399 -3.13694 0.03746 -3.12755 -3.05433 0.06384 -0.60686 2.57129 2.48199 -0.62305 0.01589 3.12301 -3.11617 -0.00904 -0.01931 3.13148 -3.12628 0.02451 2.64490 -1.55370 0.53188 -0.53217 1.55242 -2.64519 -0.00736 3.12506 -3.12501 0.00741 0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 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 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00002 -0.00002 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00002 0.00001 0.00000 -0.00002 -0.00002 -0.00027 -0.00025 -0.00026 -0.00001 -0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00007 0.00006 0.00001 0.00001 -0.00007 -0.00007 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00002 0.00001 0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00004 0.00005 0.00004 0.00004 0.00004 0.00004 0.00004 0.00004 0.00004 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00002 -0.00000 0.00002 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00002 -0.00006 -0.00006 -0.00004 -0.00004 0.00000 -0.00002 -0.00000 -0.00002 0.00000 -0.00000 0.00002 0.00002 -0.00047 -0.00049 -0.00048 -0.00049 -0.00051 -0.00050 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00001 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 0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 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 -0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00031 -0.00029 -0.00030 0.00000 0.00000 -0.00000 -0.00001 0.00002 -0.00004 -0.00002 0.00002 0.00004 0.00002 -0.00001 -0.00004 -0.00007 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00004 0.00001 0.00004 0.00001 0.00004 0.00002 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00004 -0.00004 -0.00005 -0.00004 -0.00003 -0.00004 -0.00004 -0.00003 -0.00004 -0.00016 -0.00017 -0.00016 -0.00016 -0.00017 -0.00016 -0.00016 -0.00016 -0.00015 -0.00009 -0.00008 -0.00005 -0.00004 0.00003 0.00003 0.00002 0.00002 -0.00001 -0.00001 0.00000 0.00000 -0.00002 -0.00001 -0.00002 -0.00001 0.00007 0.00006 0.00007 0.00006 -0.00002 0.00002 -0.00002 0.00002 0.00002 0.00002 -0.00002 -0.00002 0.00004 0.00005 0.00004 0.00008 0.00009 0.00008 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00002 -0.00000 -0.00000 0.00001 -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 0.00001 -0.00001 -0.00000 0.00002 0.00001 -0.00000 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00002 -0.00000 -0.00002 -0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00002 0.00000 0.00002 -0.00003 0.00001 0.00001 -0.00003 -0.00003 -0.00058 -0.00053 -0.00056 -0.00001 -0.00001 -0.00001 -0.00001 0.00002 -0.00005 -0.00003 0.00008 0.00010 0.00003 -0.00000 -0.00011 -0.00014 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00004 0.00002 0.00005 0.00003 0.00005 0.00003 -0.00001 -0.00001 -0.00001 -0.00002 -0.00001 -0.00002 -0.00002 -0.00001 -0.00002 -0.00003 -0.00002 -0.00003 -0.00003 -0.00002 -0.00003 -0.00003 -0.00002 -0.00003 -0.00012 -0.00012 -0.00012 -0.00012 -0.00012 -0.00012 -0.00012 -0.00012 -0.00012 -0.00008 -0.00007 -0.00005 -0.00004 0.00002 0.00005 0.00001 0.00004 -0.00001 -0.00000 0.00000 0.00001 -0.00002 -0.00001 -0.00004 -0.00003 0.00001 0.00000 0.00003 0.00003 -0.00002 0.00000 -0.00002 0.00000 0.00002 0.00001 -0.00001 -0.00001 -0.00043 -0.00044 -0.00043 -0.00041 -0.00042 -0.00041 -0.00000 0.00000 -0.00001 -0.00001 2.28700 2.54442 2.72446 2.28646 2.78793 2.41713 2.61363 2.64981 1.90677 2.93983 2.91455 2.90527 2.90213 2.89849 2.07155 2.05928 2.06514 2.06406 2.06509 2.06567 2.06567 2.06641 2.06330 2.06458 2.79745 2.66005 2.64008 2.64149 2.82257 2.63863 2.04808 2.64357 2.84927 2.62445 2.04688 2.05000 2.06399 2.06986 2.06361 2.06285 2.05357 2.06083 2.02651 1.87562 1.90756 2.16604 2.20958 1.94277 1.83067 1.91078 1.91999 1.96776 1.88607 1.94499 1.95684 1.83786 1.92966 1.88617 1.90443 2.21293 2.25707 1.81311 1.92580 1.92695 1.91785 1.88526 1.91465 1.89275 1.94495 1.93414 1.92341 1.89275 1.87735 1.88937 1.91785 1.96072 1.92873 1.87450 1.89061 1.88928 1.99715 2.17625 2.10720 2.15881 2.04218 2.08052 2.07852 2.17118 2.03231 2.12671 2.05916 2.09728 2.06287 2.10619 2.11360 2.10919 2.06768 2.10607 2.10775 2.08936 2.08604 2.15709 1.95569 2.16979 1.94366 1.92956 1.94402 1.87618 1.89091 1.87679 1.92349 1.83860 1.92608 1.92996 1.90705 1.93804 -0.05649 3.12134 -1.11445 3.08654 0.99338 2.08894 0.01321 -2.00693 0.00808 3.07265 -3.11980 0.03391 0.02437 -3.10511 -0.02891 -3.09682 3.11003 0.04211 -1.08029 1.09325 -3.12112 0.94120 3.11474 -1.09963 3.04771 -1.06194 1.00688 3.12523 -0.02891 1.03424 -2.11990 -1.12076 2.00829 -1.03644 1.04629 3.13329 1.13638 -3.06407 -0.97708 -3.02101 -0.93827 1.14872 -1.06601 1.04343 3.13434 3.02846 -1.14528 0.94563 0.94523 3.05468 -1.13759 -3.12577 1.07170 -1.04031 -0.94375 -3.02947 1.14170 1.12840 -0.95732 -3.06933 2.43467 -0.76981 -0.78852 2.29019 3.03707 -0.15854 -0.04034 3.04724 -3.06767 0.06459 0.01399 -3.13694 0.03745 -3.12756 -3.05437 0.06381 -0.60685 2.57129 2.48202 -0.62302 0.01587 3.12302 -3.11619 -0.00904 -0.01929 3.13149 -3.12628 0.02450 2.64446 -1.55414 0.53144 -0.53259 1.55200 -2.64560 -0.00736 3.12506 -3.12502 0.00740 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000009 0.000001 0.001206 0.000178 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.214994e-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 1 2 2 3 4 4 5 5 5 6 6 6 7 7 7 9 9 9 10 10 10 11 11 11 12 13 13 14 14 15 15 16 16 17 17 18 20 20 20 21 21 21 8 19 21 19 6 12 8 12 32 7 8 9 10 11 22 23 24 25 26 27 28 29 30 31 13 14 15 17 19 16 33 18 20 18 34 35 36 37 38 39 40 41 1.2102 1.3465 1.4417 1.2099 1.4753 1.2791 1.3831 1.4022 1.009 1.5557 1.5423 1.5374 1.5357 1.5338 1.0962 1.0897 1.0928 1.0923 1.0928 1.0931 1.0931 1.0935 1.0919 1.0925 1.4803 1.4076 1.3971 1.3978 1.4936 1.3963 1.0838 1.3989 1.5078 1.3888 1.0832 1.0848 1.0922 1.0953 1.092 1.0916 1.0867 1.0905 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 19 6 8 8 12 4 4 4 7 7 8 6 6 6 10 10 11 1 1 5 6 6 6 23 23 24 7 7 7 26 26 27 7 7 7 29 29 30 4 4 5 12 12 14 13 13 17 13 13 16 15 15 18 14 14 18 16 16 17 2 2 3 16 16 16 36 36 37 2 2 2 39 39 40 2 4 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 21 12 12 32 32 7 8 9 8 9 9 10 11 22 11 22 22 5 6 6 23 24 25 24 25 25 26 27 28 27 28 28 29 30 31 30 31 31 5 13 13 14 15 15 17 19 19 16 33 33 18 20 20 18 34 34 17 35 35 3 14 14 36 37 38 37 38 38 39 40 41 40 41 41 116.1095 107.4655 109.2953 124.1046 126.6 111.3129 104.8898 109.4793 110.0072 112.7443 108.0638 111.4398 112.1185 105.3016 110.5616 108.0692 109.116 126.7915 129.3208 103.8834 110.3393 110.4056 109.8852 108.0178 109.7016 108.4472 111.4371 110.8176 110.2032 108.4467 107.5643 108.2537 109.8851 112.3406 110.5082 107.4009 108.3239 108.2486 114.4282 124.6895 120.734 123.6899 117.009 119.2048 119.0906 124.3993 116.4427 121.8515 117.9813 120.165 118.1939 120.6753 121.1007 120.8478 118.4692 120.6692 120.765 119.7115 119.5214 123.5913 112.0529 124.3205 111.3635 110.5557 111.3838 107.4976 108.3413 107.5319 110.209 105.3441 110.3553 110.5803 109.2653 111.0411 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 21 21 19 19 19 12 12 12 6 6 12 12 32 32 8 8 32 32 4 4 4 8 8 8 9 9 9 4 4 7 7 9 9 4 4 4 7 7 7 8 8 8 6 6 6 11 11 11 22 22 22 6 6 6 10 10 10 22 22 22 4 4 5 5 12 12 15 15 12 12 14 14 13 13 19 19 13 13 17 17 13 13 33 33 15 15 20 20 15 15 15 18 18 18 14 14 34 2 2 2 2 2 4 4 4 4 4 5 5 5 5 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 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 16 16 17 17 17 19 19 21 21 21 6 6 6 12 12 8 8 8 8 12 12 12 12 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 13 13 13 13 14 14 14 14 15 15 15 15 17 17 17 17 19 19 19 19 16 16 16 16 18 18 18 18 20 20 20 20 20 20 18 18 18 3 14 39 40 41 7 8 9 5 13 1 6 1 6 4 13 4 13 10 11 22 10 11 22 10 11 22 1 5 1 5 1 5 23 24 25 23 24 25 23 24 25 26 27 28 26 27 28 26 27 28 29 30 31 29 30 31 29 30 31 14 15 14 15 17 19 17 19 16 33 16 33 18 34 18 34 2 3 2 3 18 20 18 20 17 35 17 35 36 37 38 36 37 38 16 35 16 -3.2348 178.8418 -63.8202 176.8765 56.9485 119.6881 0.7575 -114.9881 0.4634 176.0485 -178.7485 1.9448 1.3913 -177.9154 -1.6577 -177.4347 178.1981 2.421 -61.8959 62.6387 -178.8266 53.9273 178.4619 -63.0034 174.6215 -60.8438 57.6909 179.0603 -1.6574 59.2547 -121.463 -64.2178 115.0645 -59.3831 59.9487 179.5249 65.1108 -175.5575 -55.9813 -173.0898 -53.758 65.8181 -61.0762 59.7857 179.5866 173.5194 -65.6187 54.1822 54.1597 175.0216 -65.1775 -179.0862 61.4109 -59.5984 -54.0661 -173.569 65.4217 64.6594 -54.8435 -175.8529 139.5008 -44.1025 -45.1763 131.2204 174.0101 -9.0865 -2.312 174.5915 -175.7641 3.7011 0.8013 -179.7335 2.1465 -179.1957 -175.0002 3.6577 -34.7704 147.3241 142.2076 -35.6979 0.9104 178.9355 -178.5433 -0.5182 -1.1062 179.4204 -179.1225 1.4042 151.5415 -89.0202 30.4744 -30.4913 88.947 -151.5584 -0.4218 179.0526 -179.05 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0463397224 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8725,-1.1856,-1.8196;.8994,-2.0575,.6022;2.5887,-2.5254,-.7857;-1.1966,.9565,.4588;-.7657,-.4811,-1.2006;-2.4813,.4788,-.0296;-3.2955,-.1965,1.0934;-2.1381,-.5242,-1.1347;-3.2362,1.645,-.6708;-2.5727,-1.4107,1.6689;-3.6464,.784,2.2076;-.2925,.392,-.231;1.1454,.6982,-.1198;2.1572,-.2625,-.1969;1.4893,2.0417,-.0149;2.813,2.4601,-.0031;3.4841,.1541,-.2235;3.8075,1.4938,-.1241;1.9173,-1.7308,-.1851;3.1631,3.9141,.1016;.5477,-3.4341,.6663;-4.2223,-.5451,.6257;-3.3631,2.4554,.044;-2.6887,2.0434,-1.5258;-4.2169,1.3212,-1.0191;-2.3935,-2.1784,.9148;-1.6154,-1.13,2.1102;-3.1767,-1.8694,2.4526;-4.1933,.2723,3.0004;-4.2791,1.6005,1.861;-2.7462,1.216,2.6445;-.2174,-.9601,-1.8961;.6907,2.7697,.0497;4.2681,-.5871,-.2995;4.8491,1.7913,-.1325;3.9897,4.0751,.7934;3.47,4.3128,-.8671;2.3181,4.5069,.4479;.202,-3.8025,-.3003;-.2611,-3.5007,1.3878;1.386,-4.0471,.9962; 0.000000 4.566434 0.000000 5.717460 2.235844 0.000000 3.548024 3.673935 5.291578 0.000000 2.306075 2.916757 3.950148 2.237384 0.000000 2.475305 4.273273 5.941538 1.455106 2.288152 0.000000 3.105286 4.615341 6.601412 2.477431 3.426801 1.542781 0.000000 1.202387 3.820205 5.144852 2.370344 1.374639 1.531368 2.532092 0.000000 3.076384 5.694888 7.164833 2.431061 3.302126 1.530035 2.550926 2.475202 0.000000 3.508582 3.689366 5.823037 2.993560 3.516087 2.542298 1.525686 2.972333 3.905306 0.000000 4.549334 5.596064 7.667400 3.014918 4.638358 2.540822 1.525123 3.893268 3.032269 2.501947 0.000000 3.415998 2.848614 4.137623 1.269620 1.387930 2.199798 3.334451 2.250041 3.229390 3.472525 4.165263 0.000000 4.751983 2.859351 3.594208 2.426141 2.492223 3.634417 4.689740 3.647710 4.516396 4.633647 5.327791 1.474274 0.000000 5.365046 2.333026 2.377742 3.628203 3.098216 4.700369 5.603704 4.404334 5.740371 5.212648 6.368612 2.535836 1.397407 0.000000 5.718123 4.187148 4.760338 2.935258 3.585402 4.267108 5.397396 4.582115 4.787191 5.590467 5.735562 2.437766 1.390724 2.405893 0.000000 6.993942 4.943391 5.051518 4.307019 4.784530 5.652914 6.750781 5.890683 6.140203 6.839835 7.029925 3.738004 2.428724 2.807116 1.388300 0.000000 6.689449 3.500579 2.880545 4.797699 4.406721 5.977363 6.915200 5.735832 6.898160 6.535621 7.559848 3.784037 2.403417 1.390972 2.754195 2.411740 0.000000 7.394370 4.647238 4.251687 5.066519 5.096449 6.370926 7.402205 6.359614 7.066511 7.235883 7.842342 4.246811 2.778512 2.411058 2.384641 1.391992 1.381716 0.000000 5.090297 1.327683 1.201223 4.163195 3.129135 4.924828 5.582258 4.336341 6.179802 4.868229 6.557752 3.064499 2.549539 1.487832 3.800457 4.289380 2.451373 3.738251 0.000000 8.131818 6.405933 6.525687 5.280339 6.037339 6.608944 7.719767 7.023579 6.833455 7.981811 7.784774 4.945415 3.802947 4.306377 2.514250 1.499261 3.787656 2.514835 5.787858 0.000000 4.788873 1.422223 2.664538 4.728931 3.732333 4.996966 5.043245 4.350211 6.473223 3.851791 6.144819 4.018670 4.248663 3.659908 5.597730 6.349879 4.721183 5.961149 2.345620 7.820221 0.000000 2.865654 5.340393 7.232178 3.382022 3.909943 2.123472 1.095123 2.728309 2.729509 2.135108 2.144875 4.129910 5.560043 6.438615 6.302736 7.676080 7.784561 8.318568 6.305429 8.643183 5.576837 0.000000 4.119459 6.232692 7.805174 2.666955 4.113164 2.165613 2.852789 3.430458 1.087973 4.267459 2.748599 3.709739 4.841575 6.157841 4.870351 6.176260 7.228522 7.236808 6.742328 6.687524 7.096998 3.174833 0.000000 3.247539 5.849826 7.019510 2.710475 3.190139 2.174779 3.499402 2.655018 1.090612 4.706395 4.054790 3.185278 4.299621 5.528706 4.442786 5.723712 6.585524 6.668465 6.103899 6.355451 6.729256 3.698871 1.757454 0.000000 2.955018 6.341949 7.820942 3.382234 3.897645 2.168179 2.759590 2.782154 1.089911 4.170364 3.320473 4.109213 5.472695 6.619163 5.838427 7.193582 7.829415 8.076003 6.902045 7.902076 6.939360 2.487748 1.773481 1.764494 0.000000 2.948226 3.309914 5.275884 3.386519 3.163119 2.821424 2.184813 2.646126 4.224075 1.091000 3.466597 3.512028 4.676472 5.061263 5.809467 7.033215 6.425200 7.281346 4.471399 8.285964 3.207689 2.468972 4.813573 4.885457 4.394565 0.000000 4.126395 3.075489 5.292282 2.693729 3.479148 2.813724 2.174398 3.342150 4.249918 1.090843 2.792501 3.089983 3.992170 4.506487 4.920877 6.079921 5.753295 6.425352 4.255525 7.232742 3.474599 3.056464 4.492091 4.944041 4.750695 1.770270 0.000000 4.337243 4.480369 6.645068 3.985160 4.591889 3.486933 2.158657 3.969467 4.702106 1.090604 2.705757 4.542467 5.647113 6.168694 6.569331 7.787840 7.458031 8.168834 5.738061 8.897718 4.417058 2.486828 4.953718 5.601381 4.828512 1.753207 1.761098 0.000000 5.206041 6.092235 8.255796 3.988534 5.473975 3.486389 2.159323 4.685929 4.034641 2.689231 1.090657 5.066863 6.198290 7.130115 6.671943 7.930648 8.327692 8.675748 7.176327 8.705352 6.454701 2.511624 3.767686 5.087954 4.154222 3.687216 3.066701 2.433218 0.000000 4.825776 6.463990 8.437782 3.447211 5.103985 2.839925 2.187765 4.251268 2.738595 3.466457 1.089565 4.661635 5.844928 7.009488 6.081810 7.383191 8.167328 8.327470 7.326678 7.989708 7.076262 2.476500 2.207135 3.767764 2.894321 4.328018 3.822776 3.688583 1.752081 0.000000 5.070677 5.308208 7.363786 2.691787 4.646155 2.786495 2.168622 4.204843 3.378642 2.807386 1.089959 3.868856 4.801393 5.856854 5.068834 6.281797 6.940395 7.119928 6.199841 6.976077 6.032122 3.058775 2.946050 4.251949 3.949175 3.826063 2.658566 3.121200 1.763953 1.764003 0.000000 2.665728 2.948362 3.399649 3.190281 1.006920 3.267924 4.358296 2.111572 4.171440 4.296433 5.624973 2.146270 2.786154 3.002190 3.932230 4.946201 4.211943 5.036080 2.842268 6.259176 3.643027 4.750925 5.032385 3.907161 4.687133 3.757752 4.246649 5.338070 6.426724 6.096775 5.634461 0.000000 5.642204 4.863217 5.686671 2.648922 3.775162 3.913565 5.077152 4.500544 4.147777 5.544985 5.235465 2.588215 2.127547 3.377214 1.082561 2.145386 3.836522 3.372389 4.670535 2.724946 6.235997 5.954635 4.065976 3.798667 5.227252 5.894482 4.977134 6.500122 6.228755 5.417299 4.578091 4.303749 0.000000 7.325155 3.784678 2.610281 5.728965 5.114995 6.838429 7.700745 6.460793 7.838058 7.165878 8.414641 4.665031 3.381752 2.138199 3.835863 3.389868 1.081679 2.138499 2.616773 4.652269 4.783266 8.540867 8.222603 7.538036 8.726694 6.955920 6.381057 8.040143 9.122763 9.083512 7.817871 4.775849 4.918191 0.000000 8.445747 5.563561 4.916222 6.131577 6.150647 7.447651 8.472786 7.428787 8.104454 8.281297 8.869279 5.329448 3.861649 3.386431 3.371172 2.147059 2.133458 1.083211 4.582889 2.721007 6.815007 9.398099 8.240892 7.669635 9.121296 8.325314 7.439985 9.192170 9.689547 9.345313 8.107413 6.029093 4.275830 2.454021 0.000000 9.032830 6.869911 6.929832 6.060910 6.881050 7.448778 8.450462 7.900731 7.762858 8.597934 8.434512 5.740332 4.508585 4.811755 3.322696 2.151109 4.082120 2.745592 6.241827 1.089868 8.261436 9.423996 7.566293 7.355779 8.843986 8.936827 7.761709 9.457605 9.289408 8.696918 7.547981 7.091327 3.625000 4.796728 2.609946 0.000000 8.447896 7.024813 6.895195 5.899156 6.405802 7.128776 8.363618 7.410800 7.220031 8.700791 8.517645 5.471180 4.362070 4.806816 3.131717 2.147274 4.208167 2.934737 6.276995 1.091555 8.420536 9.219586 7.139497 6.596540 8.249903 8.927081 8.021887 9.665333 9.487385 8.651534 7.782196 6.516125 3.308548 4.996836 2.966368 1.756128 0.000000 8.030427 6.717738 7.144770 4.995803 6.091582 6.283918 7.351931 6.904688 6.347554 7.773523 7.247861 4.920188 4.025350 4.815423 2.641673 2.153505 4.555958 3.409473 6.282489 1.088743 8.138859 8.266286 6.053758 5.918803 7.416592 8.192124 7.071797 8.652620 8.175881 7.346222 6.426595 6.466184 2.413476 5.505501 3.757307 1.760690 1.758999 0.000000 4.313853 2.084581 2.750090 5.017967 3.574706 5.059893 5.213218 4.113300 6.452392 4.158996 6.491199 4.224053 4.602027 4.045392 5.991020 6.791545 5.141268 6.409454 2.692090 8.274995 1.090586 5.571606 7.210345 6.635728 6.804087 3.294033 4.031818 4.767676 6.842339 7.344697 6.522931 3.286560 6.599584 5.183795 7.274142 8.809001 8.766896 8.607132 0.000000 4.739963 2.011623 3.714388 4.648121 4.009052 4.772324 4.495791 4.329657 6.290287 3.129056 5.521937 4.215990 4.677825 4.341173 5.979085 6.849490 5.475449 6.616988 3.217451 8.267984 1.085884 5.000818 6.848621 6.717170 6.685286 2.553368 2.824254 3.506571 5.683239 6.510912 5.477477 4.152181 6.481869 5.643554 7.511989 8.707182 8.947439 8.465050 1.776259 0.000000 5.852580 2.085820 2.633900 5.656401 4.708770 6.040898 6.062435 5.419522 7.519578 4.803626 7.080463 4.901935 4.880754 4.042523 6.173051 6.736375 4.851835 6.149846 2.653918 8.206111 1.089719 6.622325 8.108238 7.749787 8.017067 4.217077 4.331184 5.261376 7.335099 8.046012 6.891484 4.523959 6.917267 4.685834 6.881396 8.531742 8.814942 8.622089 1.772751 1.778982 0.000000 C16H20N2O3 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 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8575,.6877,2.1008;.4229,2.2015,-.692;2.0971,3.0602,.5157;-.9875,-1.1655,-.2777;-.7148,.3986,1.2987;-2.2941,-.9375,.3207;-3.3267,-.4892,-.7343;-2.0671,.1603,1.3641;-2.7328,-2.2041,1.0585;-2.9232,.8205,-1.4047;-3.5667,-1.5669,-1.7864;-.1608,-.4009,.3087;1.2935,-.4142,.0669;2.0891,.7338,.024;1.8954,-1.6634,-.0392;3.2703,-1.8053,-.1685;3.4702,.596,-.0674;4.0518,-.6534,-.1662;1.5524,2.1213,.0012;3.9011,-3.1615,-.2724;-.2085,3.4744,-.754;-4.2599,-.316,-.1879;-2.7539,-3.0529,.3783;-2.041,-2.4468,1.8659;-3.724,-2.071,1.4918;-2.8391,1.64,-.6893;-1.9721,.721,-1.9293;-3.6762,1.1138,-2.1371;-4.2757,-1.2107,-2.5347;-3.9846,-2.4792,-1.3617;-2.6396,-1.8259,-2.2977;-.2168,1.0078,1.9269;1.2609,-2.5401,-.0098;4.0887,1.4832,-.0844;5.1288,-.7333,-.251;4.6779,-3.181,-1.0366;4.3687,-3.4483,.6713;3.1684,-3.9272,-.5221;-.5347,3.8059,.2324;-1.0748,3.3453,-1.3958;.4531,4.2299,-1.1772; 0.4347117 0.2426205 0.1853039 -19.18572 -19.12421 -19.10953 -14.36565 -14.30158 -10.31618 -10.28222 -10.26384 -10.23467 -10.21663 -10.21422 -10.20953 -10.20656 -10.19802 -10.19337 -10.19330 -10.18301 -10.18090 -10.16889 -10.15646 -10.15381 -1.13586 -1.07077 -1.04321 -1.01222 -0.89758 -0.89570 -0.82531 -0.81290 -0.78531 -0.75988 -0.74942 -0.71285 -0.69776 -0.68171 -0.64528 -0.63262 -0.61976 -0.60812 -0.59192 -0.56607 -0.55571 -0.51993 -0.51414 -0.50288 -0.49557 -0.48676 -0.48156 -0.47168 -0.45545 -0.45437 -0.44460 -0.44239 -0.43714 -0.43353 -0.42176 -0.41754 -0.40569 -0.39524 -0.39118 -0.38988 -0.38486 -0.38265 -0.37877 -0.37535 -0.36805 -0.35471 -0.34345 -0.33959 -0.33646 -0.32498 -0.31137 -0.30152 -0.28341 -0.27171 -0.25806 -0.25473 -0.06977 -0.04416 -0.01073 -0.00586 0.00203 0.00961 0.01006 0.01448 0.01844 0.02673 0.02685 0.03126 0.03866 0.04004 0.04307 0.04590 0.04974 0.05513 0.05831 0.06158 0.06702 0.06787 0.07340 0.07724 0.08240 0.08491 0.08868 0.09174 0.09563 0.09947 0.10252 0.10400 0.11077 0.11267 0.11756 0.12036 0.12352 0.12824 0.13557 0.13786 0.13979 0.14227 0.14540 0.14667 0.15119 0.15199 0.15973 0.16161 0.16347 0.16837 0.17033 0.17807 0.18006 0.18139 0.18474 0.18692 0.18887 0.19450 0.19640 0.19878 0.20422 0.20684 0.20954 0.21154 0.21639 0.21808 0.22353 0.22486 0.22660 0.22811 0.23013 0.23428 0.23546 0.24196 0.24524 0.24870 0.25172 0.25282 0.25638 0.25854 0.26231 0.26360 0.26903 0.27259 0.27365 0.27441 0.27791 0.27916 0.28507 0.28980 0.29415 0.29789 0.29996 0.30377 0.30597 0.31426 0.31769 0.31975 0.32779 0.32917 0.33193 0.33622 0.33797 0.34279 0.34755 0.35204 0.35645 0.36186 0.36704 0.37058 0.37074 0.37756 0.38791 0.39594 0.40043 0.40116 0.41167 0.41332 0.41948 0.42763 0.43069 0.43873 0.44648 0.45206 0.45667 0.45944 0.47318 0.48716 0.48843 0.50177 0.50592 0.51021 0.51433 0.52273 0.52481 0.53475 0.53829 0.54051 0.54921 0.55762 0.55886 0.56859 0.57520 0.57999 0.59023 0.59404 0.59479 0.60759 0.61783 0.62062 0.62623 0.63494 0.63620 0.64025 0.64757 0.64821 0.65172 0.65887 0.66843 0.67270 0.67752 0.68037 0.68130 0.68743 0.69128 0.69915 0.70355 0.70859 0.71156 0.71503 0.72067 0.72717 0.72933 0.73404 0.74624 0.74918 0.75178 0.75952 0.76311 0.76654 0.77254 0.77633 0.78892 0.80045 0.80638 0.81617 0.82175 0.83035 0.83561 0.84484 0.85386 0.86071 0.86275 0.88737 0.89684 0.90354 0.91413 0.92744 0.93474 0.94681 0.94990 0.96266 0.97181 0.98527 0.99483 0.99617 1.00592 1.01493 1.02275 1.02907 1.03802 1.04559 1.05173 1.06159 1.07334 1.09105 1.09312 1.09672 1.11965 1.12262 1.13587 1.14615 1.16212 1.17086 1.19128 1.19410 1.19871 1.20781 1.20885 1.22882 1.23477 1.24152 1.25727 1.27254 1.28353 1.28898 1.30269 1.32076 1.32977 1.34162 1.34336 1.35151 1.36024 1.37845 1.39448 1.39823 1.40178 1.43038 1.43866 1.45633 1.46201 1.46767 1.48131 1.48591 1.49238 1.50235 1.50790 1.51681 1.53079 1.53929 1.53987 1.54580 1.54676 1.55479 1.55972 1.56503 1.57152 1.57588 1.59189 1.59627 1.59750 1.60840 1.61088 1.62041 1.62628 1.64514 1.64874 1.66084 1.66394 1.67284 1.68037 1.69034 1.69134 1.69881 1.70046 1.71398 1.72453 1.73321 1.74561 1.74716 1.75368 1.76661 1.77331 1.78130 1.79135 1.79962 1.80579 1.81582 1.82026 1.82969 1.83943 1.84354 1.85289 1.87081 1.87471 1.88726 1.90194 1.90563 1.91724 1.93525 1.94052 1.96065 1.96259 1.98170 1.98394 1.98842 1.99912 2.00980 2.01757 2.03578 2.05234 2.06912 2.06982 2.07568 2.08636 2.09798 2.10869 2.13044 2.13758 2.16531 2.16812 2.17736 2.19059 2.20477 2.21282 2.23235 2.24931 2.26161 2.27380 2.29661 2.31470 2.32135 2.32533 2.34641 2.36689 2.37840 2.40189 2.41460 2.41941 2.42501 2.43227 2.43589 2.44447 2.47316 2.48675 2.50347 2.51169 2.52699 2.52959 2.53513 2.53899 2.54149 2.54752 2.55871 2.57269 2.57679 2.58685 2.58978 2.60022 2.61735 2.62063 2.62622 2.63785 2.64580 2.64975 2.66777 2.68146 2.69393 2.69992 2.70914 2.71742 2.71820 2.73013 2.74267 2.75037 2.77367 2.77604 2.80475 2.81453 2.82070 2.83234 2.84329 2.85241 2.85975 2.86349 2.87476 2.88470 2.89754 2.90261 2.91163 2.91742 2.92712 2.93730 2.94542 2.95809 2.97197 2.98346 2.99857 3.01740 3.03241 3.03953 3.06151 3.06625 3.08903 3.10330 3.10879 3.13238 3.17657 3.18281 3.19121 3.22619 3.22902 3.25348 3.26688 3.27643 3.33071 3.35988 3.37893 3.39570 3.40118 3.41653 3.44745 3.51388 3.54806 3.56408 3.58297 3.60825 3.62563 3.66604 3.67653 3.69775 3.76598 3.78068 3.79542 3.79925 3.80897 3.82026 3.82359 3.82556 3.83276 3.85935 3.86629 3.87092 3.98405 3.99352 4.04337 4.05024 4.06675 4.11279 4.13427 4.18156 4.21500 4.25379 4.31817 4.33720 4.37528 4.37807 4.61644 4.82315 4.85761 4.91232 5.07018 5.10693 5.14248 5.20828 5.22724 5.30819 5.42882 5.65849 5.83738 5.88206 23.58718 23.82059 23.86018 23.87222 23.92136 23.92900 23.93461 23.96028 23.96737 23.98082 23.98679 24.00002 24.02091 24.07553 24.10751 24.18982 35.59157 35.76429 49.89800 50.02376 50.07875 1-A. 2.3457 -1.8124 -1.6129 3.3747 -122.2147 -121.5656 -131.8323 -7.8094 5.2504 -7.9697 2.9895 3.6386 -6.6281 -7.8094 5.2504 -7.9697 62.4493 8.5188 -1.6026 -15.1560 -42.0475 -39.1070 12.3575 6.9254 -14.5817 6.4533 -4884.5560 -2510.4726 -869.6134 -34.7768 38.0521 -130.9341 -70.8456 36.5265 -14.5147 -1281.2154 -1083.1094 -568.2251 -53.4278 -36.4626 16.6226 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8748,-1.179,-1.8474;.834,-2.0303,.6396;2.5778,-2.5446,-.6925;-1.2125,1.0067,.4471;-.7655,-.4427,-1.2218;-2.5085,.5015,-.0445;-3.2982,-.2218,1.0839;-2.1461,-.4997,-1.1602;-3.3013,1.6559,-.679;-2.5357,-1.4488,1.6049;-3.6513,.7235,2.239;-.2942,.4416,-.2409;1.1514,.7366,-.1201;2.1554,-.2493,-.1579;1.5197,2.0818,-.0384;2.8581,2.4789,-.0095;3.4962,.1459,-.1618;3.8431,1.4884,-.0845;1.8955,-1.7198,-.1284;3.2258,3.9397,.0549;.4885,-3.4283,.7092;-4.2232,-.5718,.6109;-3.4719,2.4453,.0526;-2.7453,2.0851,-1.5161;-4.2591,1.2873,-1.053;-2.3766,-2.1858,.8138;-1.5621,-1.1587,2.0083;-3.1045,-1.9368,2.4007;-4.19,.1754,3.0168;-4.2903,1.5491,1.9191;-2.7446,1.1439,2.6803;-.2066,-.9639,-1.8806;.7306,2.824,-.0061;4.2603,-.6207,-.2044;4.8907,1.7701,-.0736;4.1856,4.0867,.555;3.312,4.3595,-.9531;2.4683,4.5178,.5884;.187,-3.7917,-.275;-.3418,-3.4848,1.4081;1.3388,-4.012,1.0634; 0.000000 4.545875 0.000000 5.738411 2.253796 0.000000 3.578487 3.667237 5.317593 0.000000 2.320020 2.923026 3.984533 2.255157 0.000000 2.491760 4.248588 5.963984 1.475307 2.305494 0.000000 3.112537 4.532519 6.563437 2.503012 3.432120 1.555688 0.000000 1.210224 3.803020 5.168690 2.392616 1.383080 1.542308 2.537853 0.000000 3.095760 5.694525 7.225544 2.460260 3.335958 1.537413 2.575498 2.492555 0.000000 3.479385 3.553211 5.712001 3.020121 3.483723 2.554454 1.535741 2.949338 3.929545 0.000000 4.573969 5.500898 7.620754 3.039532 4.654526 2.563133 1.533820 3.913660 3.083202 2.523036 0.000000 3.444809 2.856288 4.167679 1.279092 1.402210 2.223811 3.349571 2.271735 3.272524 3.464890 4.183274 0.000000 4.781599 2.886863 3.623380 2.445972 2.505844 3.668233 4.708275 3.672062 4.580876 4.620322 5.350872 1.480344 0.000000 5.387180 2.356711 2.394330 3.645024 3.114693 4.725295 5.593304 4.423823 5.803205 5.152991 6.356827 2.546493 1.407641 0.000000 5.763449 4.223673 4.790747 2.976004 3.604978 4.327104 5.457020 4.621807 4.882064 5.622533 5.811286 2.453897 1.397064 2.419162 0.000000 7.044429 4.985097 5.077494 4.352624 4.809968 5.719366 6.810993 5.936164 6.250119 6.864903 7.106976 3.760437 2.441381 2.821131 1.396307 0.000000 6.722049 3.530619 2.892059 4.825281 4.430846 6.016333 6.917462 5.766184 6.982395 6.484501 7.562019 3.802698 2.418391 1.397812 2.769359 2.423493 0.000000 7.440006 4.686214 4.270416 5.106252 5.124702 6.427946 7.435668 6.401620 7.171115 7.222994 7.883526 4.270553 2.794941 2.423526 2.398406 1.398915 1.388804 0.000000 5.099336 1.346454 1.209945 4.174308 3.147706 4.933220 5.539749 4.346011 6.221394 4.765904 6.507050 3.078820 2.566720 1.493636 3.821234 4.309307 2.458506 3.753425 0.000000 8.187653 6.457843 6.559389 5.334288 6.063511 6.686769 7.806404 7.074076 6.954000 8.039541 7.899882 4.971385 3.820124 4.328841 2.524122 1.507773 3.809633 2.531675 5.816699 0.000000 4.786106 1.441727 2.666605 4.757199 3.770330 4.999317 4.976049 4.360271 6.491387 3.723755 6.059329 4.060927 4.298134 3.692775 5.655399 6.405194 4.751825 6.004819 2.366459 7.887241 0.000000 2.868846 5.263389 7.200280 3.403377 3.915468 2.126488 1.096216 2.730680 2.734281 2.145814 2.157672 4.146065 5.579703 6.432851 6.359609 7.735391 7.791085 8.354264 6.269208 8.726425 5.510766 0.000000 4.135483 6.238297 7.877375 2.707418 4.157950 2.171584 2.864786 3.449918 1.089725 4.295366 2.788698 3.768138 4.931971 6.242711 5.005665 6.330355 7.340792 7.378600 6.796323 6.862370 7.114373 3.158994 0.000000 3.283504 5.864760 7.102709 2.714192 3.224241 2.174739 3.519596 2.677192 1.092822 4.719490 4.095781 3.214862 4.353343 5.595635 4.513759 5.815711 6.674640 6.768519 6.159604 6.446815 6.768091 3.710531 1.765917 0.000000 2.937678 6.309576 7.845779 3.407474 3.902032 2.167719 2.786856 2.769415 1.092254 4.185742 3.394727 4.134627 5.517886 6.656415 5.920764 7.291283 7.889306 8.162373 6.912061 8.017881 6.919598 2.495228 1.784108 1.772762 0.000000 2.888543 3.219132 5.190756 3.417826 3.126944 2.824118 2.186196 2.606273 4.223922 1.092801 3.481368 3.514553 4.675465 5.023301 5.841245 7.059689 6.393632 7.279568 4.399552 8.335743 3.124672 2.460824 4.819299 4.879043 4.369257 0.000000 4.073062 2.893856 5.133562 2.692300 3.403052 2.804646 2.178667 3.288584 4.262413 1.093104 2.821507 3.037694 3.935204 4.397641 4.918099 6.069749 5.656647 6.372093 4.103085 7.261784 3.323147 3.062413 4.523367 4.933954 4.756879 1.773429 0.000000 4.321293 4.315330 6.498104 4.007527 4.563529 3.504256 2.170917 3.957788 4.736078 1.093106 2.720756 4.531312 5.622691 6.087732 6.594069 7.801255 7.380574 8.134952 5.607434 8.950314 4.242047 2.513559 4.985105 5.625525 4.863719 1.763539 1.771522 0.000000 5.217733 5.979754 8.182950 4.019975 5.484062 3.507944 2.165481 4.699062 4.079262 2.714443 1.093497 5.085422 6.219867 7.108007 6.750585 8.008803 8.317613 8.710561 7.107607 8.828214 6.340329 2.519443 3.801936 5.126570 4.219500 3.703595 3.114968 2.453414 0.000000 4.861388 6.380283 8.411284 3.454562 5.124105 2.850999 2.194969 4.275268 2.782025 3.487793 1.091850 4.675633 5.867807 7.006809 6.154053 7.462149 8.181001 8.376803 7.289894 8.104438 7.005333 2.492829 2.226422 3.804642 2.983797 4.339696 3.844899 3.713409 1.761243 0.000000 5.090513 5.200646 7.301287 2.711722 4.654086 2.809485 2.172643 4.220160 3.443415 2.814671 1.092526 3.877068 4.815345 5.831512 5.143526 6.356700 6.929738 7.152693 6.133556 7.096113 5.936560 3.067956 3.021195 4.300709 4.031372 3.834827 2.674314 3.114192 1.772154 1.769979 0.000000 2.677080 2.927674 3.415122 3.211430 1.009017 3.288974 4.347071 2.120380 4.229004 4.220047 5.628879 2.161354 2.799131 3.009525 3.956004 4.974505 4.230387 5.063592 2.839081 6.290695 3.641879 4.742838 5.101168 3.984287 4.709078 3.669039 4.122939 5.260601 6.414846 6.117982 5.629053 0.000000 5.693315 4.898179 5.718880 2.698843 3.793105 3.985884 5.166906 4.544765 4.251372 5.614436 5.352922 2.604108 2.132419 3.390906 1.083796 2.155259 3.852911 3.387854 4.692397 2.733921 6.297747 6.037623 4.219955 3.861092 5.324928 5.951916 5.017631 6.570092 6.353451 5.526466 4.702880 4.329000 0.000000 7.343062 3.799828 2.602069 5.746634 5.130876 6.863014 7.677889 6.478409 7.911122 7.081343 8.388680 4.676827 3.393273 2.137889 3.852452 3.407545 1.083160 2.153285 2.608858 4.683426 4.789996 8.522694 8.321802 7.623647 8.771538 6.894559 6.251838 7.922013 9.078414 9.073562 7.778396 4.783334 4.935938 0.000000 8.493889 5.604292 4.934484 6.172728 6.181226 7.507180 8.506820 7.473214 8.215164 8.266242 8.911171 5.354966 3.879715 3.400978 3.385523 2.153623 2.142508 1.084814 4.599296 2.737866 6.856764 9.434821 8.390742 7.777420 9.214700 8.321665 7.385837 9.153450 9.723860 9.397370 8.140885 6.059844 4.292027 2.475884 0.000000 9.129560 6.975548 6.936587 6.215892 6.941633 7.617325 8.651637 8.004244 7.967817 8.770460 8.692727 5.829999 4.570012 4.840546 3.388017 2.160120 4.064393 2.697653 6.279148 1.092213 8.376621 9.613158 7.847528 7.505536 9.040760 9.081509 7.915964 9.635043 9.566090 8.952158 7.823339 7.122642 3.721030 4.768815 2.501858 0.000000 8.351699 7.036068 6.947942 5.802779 6.305462 7.041789 8.296509 7.310625 7.149859 8.629918 8.479165 5.372270 4.299609 4.817749 3.039157 2.152407 4.291198 3.046229 6.296400 1.095323 8.448943 9.140156 7.120115 6.494604 8.171248 8.849985 7.935783 9.594867 9.462909 8.598971 7.760386 6.448153 3.149227 5.124608 3.157683 1.764100 0.000000 8.181412 6.749178 7.178491 5.088803 6.191986 6.426454 7.480802 7.037465 6.563966 7.853319 7.387181 4.993455 4.066119 4.835290 2.688259 2.160223 4.553353 3.394111 6.304771 1.092017 8.189917 8.407193 6.314119 6.126017 7.641213 8.274180 7.105155 8.717917 8.311886 7.500860 6.552399 6.580246 2.498359 5.499402 3.722416 1.770895 1.764330 0.000000 4.321196 2.087465 2.728618 5.050181 3.608286 5.074466 5.170811 4.130811 6.481289 4.054154 6.437360 4.260648 4.632475 4.054250 6.027437 6.820953 5.144719 6.425211 2.689438 8.313713 1.091608 5.531884 7.238389 6.683977 6.794723 3.215050 3.899368 4.629661 6.762524 7.306432 6.456616 3.275535 6.643439 5.162579 7.286865 8.873950 8.755954 8.660101 0.000000 4.725560 2.022042 3.717536 4.674956 4.043597 4.763984 4.415097 4.331558 6.288185 2.999577 5.417892 4.258883 4.731365 4.376851 6.045230 6.914809 5.511496 6.668910 3.237488 8.347588 1.086702 4.917944 6.841123 6.734401 6.646412 2.486229 2.694460 3.318764 5.549244 6.418108 5.368146 4.145914 6.553728 5.655297 7.562264 8.863001 8.969828 8.521172 1.790673 0.000000 5.852593 2.088460 2.602153 5.663623 4.731902 6.033356 5.989051 5.424488 7.529397 4.677135 6.979194 4.919613 4.897532 4.039384 6.195293 6.752161 4.841877 6.151782 2.642793 8.234577 1.090547 6.555572 8.115515 7.778767 7.993619 4.147546 4.177280 5.083115 7.205469 7.958988 6.772927 4.510672 6.945894 4.652276 6.880501 8.599565 8.834127 8.617413 1.779455 1.794772 0.000000 C16H20N2O3 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 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8793,.6004,2.1272;.3361,2.1896,-.6657;2.0268,3.1013,.5133;-.97,-1.2168,-.293;-.718,.3303,1.3283;-2.3008,-.9972,.3046;-3.3196,-.4884,-.7553;-2.0777,.0826,1.383;-2.7661,-2.2833,1.0068;-2.8906,.8644,-1.3421;-3.5492,-1.5124,-1.8739;-.1454,-.45,.3137;1.3149,-.424,.0724;2.0772,.7583,.0227;1.962,-1.6574,-.0363;3.348,-1.7525,-.1767;3.4678,.6663,-.0852;4.0939,-.5691,-.1878;1.4989,2.1354,.011;4.0213,-3.0985,-.2679;-.3128,3.4763,-.7099;-4.2571,-.3392,-.2071;-2.8179,-3.1063,.2944;-2.0629,-2.5626,1.7953;-3.7476,-2.1254,1.4591;-2.8334,1.635,-.5693;-1.9132,.7859,-1.8252;-3.6156,1.1991,-2.0886;-4.2569,-1.112,-2.6051;-3.9628,-2.4507,-1.499;-2.6113,-1.7334,-2.3889;-.2355,.9751,1.9362;1.3555,-2.5548,0;4.0456,1.5822,-.1094;5.1733,-.6149,-.286;4.9459,-3.0425,-.8466;4.2796,-3.4677,.7305;3.3686,-3.8395,-.7339;-.6056,3.7857,.2952;-1.1894,3.3349,-1.3365;.3566,4.2243,-1.136; 0.4334271 0.2398305 0.1838458 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= 602 602 602 602 602 MxSgAt= 41 MxSgA2= 41. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 582 RedAO= T EigKep= 1.23D-06 NBF= 582 NBsUse= 579 1.00D-06 EigRej= 7.54D-07 NBFU= 579 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= 602 602 602 602 602 MxSgAt= 41 MxSgA2= 41. 1 9.22863084e-01 -7.13052074e-01 -6.34556572e-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 8 8 8 7 7 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 -0.008597256 -0.007879137 -0.007745102 -0.009785155 0.003254885 0.008392611 0.008310741 -0.012095580 -0.007744842 -0.000545572 0.008085113 0.009851608 0.003733988 -0.005083358 -0.006277386 -0.006919324 0.000771683 -0.000142560 -0.003480176 -0.001659665 0.001035705 -0.000272586 0.002712595 0.002596155 -0.003305588 0.004497160 -0.002539687 0.001618989 -0.004595884 0.001734621 -0.002167079 0.002859315 0.003293422 0.012073201 0.001740527 0.000730396 -0.003278767 0.000205949 -0.000267656 0.000263679 -0.002932447 -0.000293538 -0.003058146 0.004769035 0.000382937 0.000315390 0.002616072 0.000495604 0.005490069 -0.002218677 -0.000197373 0.005298511 0.000586019 -0.000281027 0.003195100 0.011261423 -0.001870599 0.000187660 0.003576199 0.000786309 -0.004780378 -0.011522273 0.002547439 -0.000340633 -0.000219511 -0.001250488 0.000403324 0.000652032 0.001218753 0.001559801 -0.000058830 -0.001214270 -0.001234748 -0.001527317 -0.000598584 0.000603032 -0.000411770 -0.001865152 0.001696405 0.001019207 -0.000060832 -0.001162694 -0.000700301 0.001374235 -0.000931492 -0.001362584 0.001288110 -0.000810275 0.001171339 -0.000689436 0.001811757 0.000466319 0.000296752 0.001034721 -0.001611563 -0.000890718 -0.000809442 0.000223306 -0.000055736 -0.000188799 -0.001806870 -0.000105025 0.001239870 0.000584878 0.000063781 0.001930243 -0.000086904 0.001237721 0.000743212 0.000580967 -0.002214882 -0.001731898 0.000897173 0.000480044 0.000664526 0.001260890 -0.002106856 -0.001119321 0.001042119 0.000973633 0.002345111 0.000938467 -0.000368086 0.012095580 0.003740079 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -957.271281640924 -957.271282430598 -0.000000789674 -957.271282438188 -0.000000007590 -957.271282438694 -0.000000000506 -957.271282439224 -0.000000000530 -957.271282439062 0.000000000162 -957.271282439258 -0.000000000196 -957.271282439 7 9.532715694700e+02 -5.719419587859e+03 2.064526591835e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323881972 LenY= 11323517760 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) PT71563.300S Mon Sep 9 13:01:22 2024 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 O O O N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.318675 0.025906 -0.239675 0.226075 -0.062895 0.492077 -0.085497 -0.121188 -0.411029 -0.387457 -0.591542 -0.468154 0.432831 0.463581 -0.146121 -0.103487 -0.236703 -0.561456 -0.492494 -0.421690 -0.192466 0.162469 0.162610 0.150217 0.169859 0.131218 0.156263 0.142124 0.136682 0.135670 0.167868 0.303988 0.142270 0.145761 0.129337 0.151944 0.174203 0.147010 0.162874 0.161798 0.165894 -0.00000 -19.18406 -19.12652 -19.11050 -14.36631 -14.30517 -10.31922 -10.28463 -10.26739 -10.23528 -10.22038 -10.21864 -10.21383 -10.21045 -10.20124 -10.19682 -10.19673 -10.18577 -10.18351 -10.17036 -10.15771 -10.15586 -1.12589 -1.06516 -1.03769 -1.00514 -0.89371 -0.89126 -0.82243 -0.81022 -0.78365 -0.75523 -0.74735 -0.71154 -0.69576 -0.68080 -0.64399 -0.63190 -0.61676 -0.60579 -0.58885 -0.56218 -0.55314 -0.51726 -0.51099 -0.49981 -0.49264 -0.48409 -0.47973 -0.47100 -0.45442 -0.45360 -0.44372 -0.44144 -0.43592 -0.43311 -0.42076 -0.41597 -0.40630 -0.39495 -0.39099 -0.38949 -0.38419 -0.38211 -0.37956 -0.37537 -0.36878 -0.35348 -0.34310 -0.33944 -0.33526 -0.32376 -0.31089 -0.30166 -0.28317 -0.27207 -0.25830 -0.25531 -0.07196 -0.04753 -0.01332 -0.00602 0.00177 0.00896 0.00961 0.01314 0.01787 0.02648 0.02671 0.02962 0.03850 0.03973 0.04301 0.04508 0.04882 0.05480 0.05782 0.06074 0.06656 0.06790 0.07260 0.07651 0.08251 0.08475 0.08711 0.09197 0.09605 0.09941 0.10137 0.10305 0.10985 0.11172 0.11670 0.12019 0.12346 0.12405 0.13554 0.13674 0.13954 0.14237 0.14362 0.14688 0.14862 0.15235 0.15765 0.16163 0.16292 0.16407 0.16937 0.17618 0.17717 0.17919 0.18451 0.18665 0.18731 0.19338 0.19501 0.19670 0.20297 0.20631 0.20860 0.21067 0.21388 0.21478 0.22255 0.22349 0.22588 0.22741 0.22827 0.23360 0.23427 0.23800 0.24345 0.24507 0.24951 0.25207 0.25546 0.25664 0.25963 0.26209 0.26573 0.26948 0.27239 0.27289 0.27466 0.27498 0.28296 0.28627 0.29053 0.29716 0.29863 0.30018 0.30455 0.31100 0.31541 0.31821 0.32429 0.32781 0.32995 0.33314 0.33603 0.34065 0.34297 0.34787 0.35383 0.35940 0.36593 0.36667 0.36907 0.37379 0.38431 0.39287 0.39671 0.39863 0.41124 0.41188 0.41787 0.42491 0.42776 0.43533 0.44480 0.44908 0.45247 0.46018 0.47800 0.48272 0.48468 0.49740 0.49948 0.50420 0.51184 0.51610 0.52117 0.52856 0.53350 0.53788 0.54886 0.55473 0.55699 0.56915 0.57296 0.57565 0.58591 0.58781 0.59334 0.60390 0.61321 0.61899 0.62246 0.63106 0.63420 0.63889 0.64273 0.64592 0.64915 0.65306 0.66697 0.66918 0.67600 0.68118 0.68167 0.68941 0.68997 0.69520 0.69962 0.70693 0.70769 0.71355 0.71767 0.72340 0.72428 0.73243 0.74311 0.74776 0.74920 0.75644 0.75973 0.76186 0.76638 0.77218 0.78722 0.79855 0.80469 0.81439 0.81766 0.82684 0.83143 0.84399 0.84968 0.85881 0.85980 0.88562 0.89646 0.90092 0.91147 0.92071 0.93191 0.94050 0.94934 0.96002 0.97163 0.98363 0.99021 0.99861 1.00305 1.01141 1.02127 1.03041 1.03478 1.04410 1.04954 1.05777 1.07388 1.08006 1.08884 1.09063 1.11371 1.11707 1.13530 1.14761 1.16219 1.16788 1.18938 1.19400 1.19805 1.20282 1.20816 1.22791 1.23817 1.24228 1.25716 1.27345 1.28298 1.28843 1.30736 1.31384 1.32832 1.34211 1.34747 1.35061 1.36407 1.37308 1.38664 1.39244 1.40385 1.42244 1.43415 1.45036 1.46537 1.46581 1.47484 1.48240 1.49030 1.49525 1.50331 1.51355 1.52554 1.52812 1.53430 1.54219 1.54766 1.55153 1.55505 1.56456 1.56529 1.57041 1.58605 1.59019 1.59328 1.60484 1.60893 1.61554 1.62202 1.63989 1.64173 1.65029 1.65954 1.66463 1.67363 1.67915 1.68551 1.69302 1.69581 1.70898 1.71871 1.72631 1.73472 1.74342 1.75252 1.75884 1.76592 1.77923 1.78198 1.79453 1.80239 1.81170 1.82085 1.82868 1.82937 1.83550 1.84849 1.86356 1.86739 1.88289 1.89194 1.89821 1.91129 1.92739 1.93121 1.94950 1.95762 1.96435 1.98495 1.98869 1.99151 2.00447 2.00827 2.02194 2.04574 2.06011 2.06883 2.07015 2.07805 2.08555 2.10100 2.11700 2.13449 2.15380 2.15818 2.16882 2.18236 2.19863 2.20275 2.22129 2.22941 2.25071 2.26552 2.28749 2.30672 2.31578 2.32552 2.34348 2.35577 2.35984 2.39442 2.40335 2.41518 2.41932 2.42587 2.43133 2.44183 2.46777 2.48539 2.50247 2.51003 2.52045 2.52661 2.52821 2.53255 2.54306 2.54762 2.55126 2.56739 2.57823 2.58292 2.58805 2.59321 2.59508 2.61396 2.61837 2.63161 2.63391 2.64040 2.65332 2.67394 2.68355 2.69057 2.70604 2.71212 2.71575 2.72016 2.73182 2.73757 2.76736 2.77670 2.79351 2.80641 2.81287 2.82215 2.83661 2.84128 2.84697 2.85262 2.86430 2.86598 2.88225 2.88743 2.89447 2.90345 2.92042 2.92432 2.93305 2.95060 2.95892 2.97693 2.99130 3.00569 3.01405 3.02307 3.04533 3.05142 3.08003 3.09577 3.10495 3.11921 3.15653 3.16383 3.17886 3.20434 3.20802 3.23452 3.24838 3.26869 3.30578 3.33974 3.36203 3.37651 3.39150 3.40147 3.42929 3.49127 3.52669 3.54353 3.56411 3.58871 3.60574 3.64715 3.66176 3.68177 3.74766 3.77486 3.78950 3.79121 3.79898 3.81125 3.81513 3.81729 3.82688 3.85258 3.85839 3.86698 3.96945 3.98555 4.03112 4.03963 4.05302 4.09915 4.12666 4.17213 4.19758 4.24083 4.29701 4.31830 4.34846 4.36461 4.58837 4.80270 4.83859 4.89372 5.07006 5.10093 5.14137 5.18682 5.22150 5.29194 5.41568 5.62314 5.82610 5.86266 23.58040 23.79395 23.84302 23.84388 23.89770 23.90833 23.92099 23.93982 23.94143 23.96137 23.97422 23.98785 24.01280 24.04411 24.08089 24.15934 35.58047 35.73965 49.89371 50.01021 50.06877 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 O O O N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.312623 0.005075 -0.236393 0.217189 -0.057734 0.518433 -0.101322 -0.166367 -0.379725 -0.398186 -0.593706 -0.448904 0.416664 0.474602 -0.041338 -0.015012 -0.230015 -0.721982 -0.530215 -0.432328 -0.184467 0.161763 0.160807 0.151132 0.170270 0.135297 0.158361 0.142241 0.137244 0.135174 0.168140 0.300943 0.145285 0.148174 0.129883 0.147605 0.178077 0.152458 0.164258 0.164431 0.166809 -0.00000 9.68745153e-01 -6.90993020e-01 -6.37601582e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.4623 -1.7563 -1.6206 3.4313 -121.4899 -121.6833 -132.4925 -8.1214 5.5769 -7.6881 3.7320 3.5386 -7.2706 -8.1214 5.5769 -7.6881 66.0175 6.9973 -1.9007 -16.1919 -40.1189 -40.2463 12.2965 7.1768 -13.2810 5.7212 -4934.4121 -2519.5389 -882.1860 -33.6515 37.7101 -135.4677 -69.0013 40.4930 -14.3289 -1282.6714 -1101.2074 -568.2517 -50.9377 -35.4791 14.1556 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -957.2712824 9.675E-9 2.96E-6 -0.3275362,5.2639922,-4.936456,4.9295534,-3.2051135,-6.8974352 C01 [X(C16H20N2O3)] 0.8442254 0.8852742 0.5710056 -0.000002077 -0.000000945 -0.000003052 0.000000067 -0.000004321 -0.000008137 0.000006860 -0.000004465 -0.000005402 -0.000001948 -0.000000966 0.000001552 -0.000006613 -0.000006355 -0.000004143 -0.000002834 0.000007951 0.000002882 0.000000634 0.000002711 0.000001281 0.000006497 -0.000003334 0.000000024 0.000001148 -0.000002081 0.000000420 0.000001690 -0.000001791 -0.000000558 -0.000000654 -0.000003932 -0.000002070 0.000004851 0.000007778 0.000002987 -0.000000130 -0.000006540 -0.000000202 0.000000517 0.000005367 -0.000000215 -0.000001777 0.000002527 0.000001438 0.000004854 0.000000660 -0.000002184 -0.000001816 -0.000002693 0.000000172 -0.000000896 0.000001359 0.000000847 -0.000009410 0.000002148 0.000011215 -0.000001377 -0.000001628 -0.000003987 0.000004866 0.000007669 0.000002405 0.000000524 -0.000000970 0.000000821 -0.000000210 0.000000718 0.000001569 -0.000000510 0.000000421 -0.000000198 -0.000000183 0.000000026 0.000000396 -0.000000473 0.000000249 0.000000417 -0.000000244 -0.000000188 0.000000598 0.000000426 -0.000000472 0.000001583 -0.000000965 -0.000001463 -0.000000317 0.000002136 0.000001984 0.000000365 0.000000726 -0.000000100 0.000000446 -0.000000028 0.000001705 -0.000000817 -0.000000114 -0.000000355 -0.000001126 -0.000000068 0.000000687 -0.000000284 -0.000000215 -0.000000207 -0.000001158 0.000000397 -0.000000208 0.000001793 -0.000000690 0.000000734 0.000001613 -0.000000981 0.000000472 0.000001690 -0.000002255 -0.000000445 -0.000001135 0.000000005 -0.000000494 0.000000412 0.000000268 -0.000001214 -0.000001943 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8748,-1.179,-1.8474;.834,-2.0303,.6396;2.5778,-2.5446,-.6925;-1.2125,1.0067,.4471;-.7655,-.4427,-1.2218;-2.5085,.5015,-.0445;-3.2982,-.2218,1.0839;-2.1461,-.4997,-1.1602;-3.3013,1.6559,-.679;-2.5357,-1.4488,1.6049;-3.6513,.7235,2.239;-.2942,.4416,-.2409;1.1514,.7366,-.1201;2.1554,-.2493,-.1579;1.5197,2.0818,-.0384;2.8581,2.4789,-.0095;3.4962,.1459,-.1618;3.8431,1.4884,-.0845;1.8955,-1.7198,-.1284;3.2258,3.9397,.0549;.4885,-3.4283,.7092;-4.2232,-.5718,.6109;-3.4719,2.4453,.0526;-2.7453,2.0851,-1.5161;-4.2591,1.2873,-1.053;-2.3766,-2.1858,.8138;-1.5621,-1.1587,2.0083;-3.1045,-1.9368,2.4007;-4.19,.1754,3.0168;-4.2903,1.5491,1.9191;-2.7446,1.1439,2.6803;-.2066,-.9639,-1.8806;.7306,2.824,-.0061;4.2603,-.6207,-.2044;4.8907,1.7701,-.0736;4.1856,4.0867,.555;3.312,4.3595,-.9531;2.4683,4.5178,.5884;.187,-3.7917,-.275;-.3418,-3.4848,1.4081;1.3388,-4.012,1.0634; Gaussian 16 GINC-FUENTE ALCAMI Optimization CONF12 gas EM64L-G16RevC.01 117 C1[X(C16H20N2O3)] 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 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8748,-1.179,-1.8474;.834,-2.0303,.6396;2.5778,-2.5446,-.6925;-1.2125,1.0067,.4471;-.7655,-.4427,-1.2218;-2.5085,.5015,-.0445;-3.2982,-.2218,1.0839;-2.1461,-.4997,-1.1602;-3.3013,1.6559,-.679;-2.5357,-1.4488,1.6049;-3.6513,.7235,2.239;-.2942,.4416,-.2409;1.1514,.7366,-.1201;2.1554,-.2493,-.1579;1.5197,2.0818,-.0384;2.8581,2.4789,-.0095;3.4962,.1459,-.1618;3.8431,1.4884,-.0845;1.8955,-1.7198,-.1284;3.2258,3.9397,.0549;.4885,-3.4283,.7092;-4.2232,-.5718,.6109;-3.4719,2.4453,.0526;-2.7453,2.0851,-1.5161;-4.2591,1.2873,-1.053;-2.3766,-2.1858,.8138;-1.5621,-1.1587,2.0083;-3.1045,-1.9368,2.4007;-4.19,.1754,3.0168;-4.2903,1.5491,1.9191;-2.7446,1.1439,2.6803;-.2066,-.9639,-1.8806;.7306,2.824,-.0061;4.2603,-.6207,-.2044;4.8907,1.7701,-.0736;4.1856,4.0867,.555;3.312,4.3595,-.9531;2.4683,4.5178,.5884;.187,-3.7917,-.275;-.3418,-3.4848,1.4081;1.3388,-4.012,1.0634; Optimization CONF12 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 16 16 16 14 14 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 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 2 2 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 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 1 2 2 3 4 4 5 5 5 6 6 6 7 7 7 9 9 9 10 10 10 11 11 11 12 13 13 14 14 15 15 16 16 17 17 18 20 20 20 21 21 21 8 19 21 19 6 12 8 12 32 7 8 9 10 11 22 23 24 25 26 27 28 29 30 31 13 14 15 17 19 16 33 18 20 18 34 35 36 37 38 39 40 41 1.2102 1.3465 1.4417 1.2099 1.4753 1.2791 1.3831 1.4022 1.009 1.5557 1.5423 1.5374 1.5357 1.5338 1.0962 1.0897 1.0928 1.0923 1.0928 1.0931 1.0931 1.0935 1.0919 1.0925 1.4803 1.4076 1.3971 1.3978 1.4936 1.3963 1.0838 1.3989 1.5078 1.3888 1.0832 1.0848 1.0922 1.0953 1.092 1.0916 1.0867 1.0905 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 19 6 8 8 12 4 4 4 7 7 8 6 6 6 10 10 11 1 1 5 6 6 6 23 23 24 7 7 7 26 26 27 7 7 7 29 29 30 4 4 5 12 12 14 13 13 17 13 13 16 15 15 18 14 14 18 16 16 17 2 2 3 16 16 16 36 36 37 2 2 2 39 39 40 2 4 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 21 12 12 32 32 7 8 9 8 9 9 10 11 22 11 22 22 5 6 6 23 24 25 24 25 25 26 27 28 27 28 28 29 30 31 30 31 31 5 13 13 14 15 15 17 19 19 16 33 33 18 20 20 18 34 34 17 35 35 3 14 14 36 37 38 37 38 38 39 40 41 40 41 41 116.1095 107.4655 109.2953 124.1046 126.6 111.3129 104.8898 109.4793 110.0072 112.7443 108.0638 111.4398 112.1185 105.3016 110.5616 108.0692 109.116 126.7915 129.3208 103.8834 110.3393 110.4056 109.8852 108.0178 109.7016 108.4472 111.4371 110.8176 110.2032 108.4467 107.5643 108.2537 109.8851 112.3406 110.5082 107.4009 108.3239 108.2486 114.4282 124.6895 120.734 123.6899 117.009 119.2048 119.0906 124.3993 116.4427 121.8515 117.9813 120.165 118.1939 120.6753 121.1007 120.8478 118.4692 120.6692 120.765 119.7115 119.5214 123.5913 112.0529 124.3205 111.3635 110.5557 111.3838 107.4976 108.3413 107.5319 110.209 105.3441 110.3553 110.5803 109.2653 111.0411 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 21 21 19 19 19 12 12 12 6 6 12 12 32 32 8 8 32 32 4 4 4 8 8 8 9 9 9 4 4 7 7 9 9 4 4 4 7 7 7 8 8 8 6 6 6 11 11 11 22 22 22 6 6 6 10 10 10 22 22 22 4 4 5 5 12 12 15 15 12 12 14 14 13 13 19 19 13 13 17 17 13 13 33 33 15 15 20 20 15 15 15 18 18 18 14 14 34 34 2 2 2 2 2 4 4 4 4 4 5 5 5 5 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 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 16 16 17 17 17 17 19 19 21 21 21 6 6 6 12 12 8 8 8 8 12 12 12 12 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 13 13 13 13 14 14 14 14 15 15 15 15 17 17 17 17 19 19 19 19 16 16 16 16 18 18 18 18 20 20 20 20 20 20 18 18 18 18 3 14 39 40 41 7 8 9 5 13 1 6 1 6 4 13 4 13 10 11 22 10 11 22 10 11 22 1 5 1 5 1 5 23 24 25 23 24 25 23 24 25 26 27 28 26 27 28 26 27 28 29 30 31 29 30 31 29 30 31 14 15 14 15 17 19 17 19 16 33 16 33 18 34 18 34 2 3 2 3 18 20 18 20 17 35 17 35 36 37 38 36 37 38 16 35 16 35 -3.2348 178.8418 -63.8202 176.8765 56.9485 119.6881 0.7575 -114.9881 0.4634 176.0485 -178.7485 1.9448 1.3913 -177.9154 -1.6577 -177.4347 178.1981 2.421 -61.8959 62.6387 -178.8266 53.9273 178.4619 -63.0034 174.6215 -60.8438 57.6909 179.0603 -1.6574 59.2547 -121.463 -64.2178 115.0645 -59.3831 59.9487 179.5249 65.1108 -175.5575 -55.9813 -173.0898 -53.758 65.8181 -61.0762 59.7857 179.5866 173.5194 -65.6187 54.1822 54.1597 175.0216 -65.1775 -179.0862 61.4109 -59.5984 -54.0661 -173.569 65.4217 64.6594 -54.8435 -175.8529 139.5008 -44.1025 -45.1763 131.2204 174.0101 -9.0865 -2.312 174.5915 -175.7641 3.7011 0.8013 -179.7335 2.1465 -179.1957 -175.0002 3.6577 -34.7704 147.3241 142.2076 -35.6979 0.9104 178.9355 -178.5433 -0.5182 -1.1062 179.4204 -179.1225 1.4042 151.5415 -89.0202 30.4744 -30.4913 88.947 -151.5584 -0.4218 179.0526 -179.05 0.4243 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00009 0.00173 0.00190 0.00247 0.00258 0.00311 0.00430 0.00618 0.00721 0.00949 0.01598 0.01713 0.01941 0.02017 0.02075 0.02182 0.02252 0.02452 0.02492 0.02678 0.02921 0.03619 0.03714 0.04074 0.04305 0.04444 0.04447 0.04566 0.04605 0.04632 0.04695 0.04805 0.04917 0.05615 0.05863 0.06449 0.07128 0.08265 0.08428 0.08522 0.09779 0.11427 0.11624 0.11976 0.12020 0.12164 0.12166 0.12407 0.12672 0.12726 0.14009 0.14417 0.14510 0.14716 0.14728 0.15188 0.15319 0.15667 0.16753 0.18084 0.18130 0.18345 0.18618 0.18623 0.18696 0.19295 0.19536 0.19643 0.19983 0.20559 0.20687 0.21846 0.23648 0.24041 0.24986 0.26455 0.26606 0.27768 0.28829 0.29214 0.30994 0.31243 0.32551 0.32913 0.33010 0.33128 0.33304 0.33353 0.33372 0.33458 0.33533 0.33590 0.33595 0.33780 0.33951 0.34198 0.34271 0.34337 0.34511 0.34762 0.35183 0.35501 0.35903 0.36098 0.36929 0.39117 0.39220 0.42227 0.45183 0.45203 0.46178 0.46947 0.50215 0.61777 0.67724 0.83438 0.84588 Angle between quadratic step and forces= 75.01 degrees. 1 2 0.00026262 0.00000008 0.00000007 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 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 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 2.28699 2.54443 2.72447 2.28647 2.78793 2.41713 2.61364 2.64979 1.90677 2.93982 2.91454 2.90529 2.90213 2.89850 2.07155 2.05928 2.06513 2.06406 2.06510 2.06567 2.06567 2.06641 2.06330 2.06458 2.79744 2.66006 2.64007 2.64148 2.82256 2.63864 2.04808 2.64357 2.84928 2.62446 2.04688 2.05000 2.06398 2.06986 2.06361 2.06284 2.05357 2.06084 2.02649 1.87563 1.90756 2.16603 2.20959 1.94278 1.83067 1.91077 1.91999 1.96776 1.88607 1.94499 1.95684 1.83786 1.92966 1.88616 1.90443 2.21293 2.25707 1.81311 1.92578 1.92694 1.91786 1.88527 1.91465 1.89276 1.94494 1.93413 1.92341 1.89275 1.87735 1.88938 1.91786 1.96071 1.92873 1.87450 1.89061 1.88929 1.99715 2.17624 2.10721 2.15880 2.04219 2.08052 2.07852 2.17118 2.03231 2.12671 2.05916 2.09727 2.06287 2.10618 2.11361 2.10919 2.06768 2.10608 2.10775 2.08936 2.08604 2.15708 1.95569 2.16980 1.94366 1.92956 1.94401 1.87619 1.89091 1.87679 1.92351 1.83860 1.92606 1.92999 1.90704 1.93803 -0.05646 3.12138 -1.11387 3.08708 0.99394 2.08895 0.01322 -2.00692 0.00809 3.07263 -3.11975 0.03394 0.02428 -3.10521 -0.02893 -3.09682 3.11014 0.04226 -1.08029 1.09325 -3.12111 0.94121 3.11475 -1.09962 3.04772 -1.06192 1.00690 3.12519 -0.02893 1.03419 -2.11993 -1.12081 2.00825 -1.03643 1.04630 3.13330 1.13640 -3.06406 -0.97706 -3.02099 -0.93825 1.14874 -1.06598 1.04346 3.13438 3.02848 -1.14526 0.94566 0.94527 3.05470 -1.13756 -3.12564 1.07182 -1.04019 -0.94363 -3.02935 1.14182 1.12852 -0.95720 -3.06921 2.43475 -0.76973 -0.78847 2.29023 3.03705 -0.15859 -0.04035 3.04720 -3.06766 0.06460 0.01399 -3.13694 0.03746 -3.12755 -3.05433 0.06384 -0.60686 2.57129 2.48199 -0.62305 0.01589 3.12301 -3.11617 -0.00904 -0.01931 3.13148 -3.12628 0.02451 2.64490 -1.55370 0.53188 -0.53217 1.55242 -2.64519 -0.00736 3.12506 -3.12501 0.00741 0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00002 -0.00003 0.00001 -0.00001 -0.00000 -0.00002 0.00002 -0.00000 -0.00000 0.00003 -0.00001 0.00001 -0.00002 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00001 0.00004 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00001 0.00001 -0.00000 -0.00002 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00002 -0.00001 0.00001 0.00001 -0.00003 -0.00000 0.00001 -0.00000 0.00002 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00003 0.00003 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00002 0.00001 -0.00002 -0.00000 0.00003 -0.00002 0.00002 -0.00001 -0.00001 -0.00002 0.00001 0.00004 -0.00004 0.00001 0.00002 0.00002 0.00001 -0.00103 -0.00097 -0.00101 -0.00002 -0.00001 -0.00001 -0.00001 0.00003 -0.00005 -0.00003 0.00008 0.00011 0.00003 -0.00001 -0.00011 -0.00015 -0.00002 -0.00003 -0.00002 -0.00003 -0.00004 -0.00004 -0.00004 -0.00005 -0.00004 0.00005 0.00002 0.00006 0.00004 0.00006 0.00003 0.00003 0.00003 0.00002 0.00003 0.00003 0.00003 0.00002 0.00003 0.00002 -0.00008 -0.00007 -0.00009 -0.00009 -0.00008 -0.00010 -0.00008 -0.00007 -0.00009 -0.00037 -0.00040 -0.00037 -0.00036 -0.00039 -0.00036 -0.00038 -0.00040 -0.00038 -0.00015 -0.00013 -0.00011 -0.00008 0.00004 0.00005 0.00001 0.00002 -0.00003 -0.00004 -0.00001 -0.00001 -0.00001 -0.00000 -0.00002 -0.00002 0.00014 0.00013 0.00016 0.00015 0.00000 0.00006 0.00001 0.00007 -0.00000 -0.00001 -0.00006 -0.00007 0.00050 0.00054 0.00053 0.00056 0.00060 0.00059 0.00000 0.00001 0.00000 0.00001 0.00001 -0.00002 -0.00003 0.00001 -0.00001 -0.00000 -0.00002 0.00002 -0.00000 -0.00000 0.00003 -0.00001 0.00001 -0.00002 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00001 0.00004 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00001 0.00001 -0.00000 -0.00002 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00002 -0.00001 0.00001 0.00001 -0.00003 -0.00000 0.00001 -0.00000 0.00002 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00003 0.00003 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00002 0.00001 -0.00002 -0.00000 0.00003 -0.00002 0.00002 -0.00001 -0.00001 -0.00002 0.00001 0.00004 -0.00004 0.00001 0.00002 0.00002 0.00001 -0.00103 -0.00097 -0.00101 -0.00002 -0.00001 -0.00001 -0.00001 0.00003 -0.00005 -0.00003 0.00008 0.00011 0.00003 -0.00001 -0.00011 -0.00015 -0.00002 -0.00003 -0.00002 -0.00003 -0.00004 -0.00004 -0.00004 -0.00005 -0.00004 0.00005 0.00002 0.00006 0.00004 0.00006 0.00003 0.00003 0.00003 0.00002 0.00003 0.00003 0.00003 0.00002 0.00003 0.00002 -0.00008 -0.00007 -0.00009 -0.00009 -0.00008 -0.00010 -0.00008 -0.00007 -0.00009 -0.00037 -0.00040 -0.00037 -0.00036 -0.00039 -0.00036 -0.00038 -0.00040 -0.00038 -0.00015 -0.00013 -0.00011 -0.00008 0.00004 0.00005 0.00001 0.00002 -0.00003 -0.00004 -0.00001 -0.00001 -0.00001 -0.00000 -0.00002 -0.00002 0.00014 0.00013 0.00016 0.00015 0.00000 0.00006 0.00001 0.00007 -0.00000 -0.00001 -0.00006 -0.00007 0.00050 0.00054 0.00053 0.00056 0.00060 0.00059 0.00000 0.00001 0.00000 0.00001 2.28700 2.54441 2.72444 2.28648 2.78792 2.41713 2.61363 2.64981 1.90677 2.93982 2.91457 2.90528 2.90214 2.89848 2.07155 2.05929 2.06513 2.06406 2.06509 2.06567 2.06568 2.06641 2.06330 2.06458 2.79744 2.66005 2.64007 2.64147 2.82257 2.63865 2.04808 2.64356 2.84927 2.62447 2.04687 2.05000 2.06398 2.06986 2.06362 2.06285 2.05357 2.06083 2.02653 1.87563 1.90756 2.16605 2.20957 1.94277 1.83067 1.91079 1.91998 1.96777 1.88606 1.94500 1.95685 1.83786 1.92964 1.88616 1.90444 2.21293 2.25707 1.81311 1.92579 1.92695 1.91786 1.88526 1.91465 1.89276 1.94495 1.93412 1.92341 1.89276 1.87736 1.88937 1.91785 1.96074 1.92872 1.87451 1.89062 1.88927 1.99715 2.17625 2.10721 2.15881 2.04218 2.08052 2.07852 2.17119 2.03230 2.12671 2.05916 2.09727 2.06287 2.10615 2.11364 2.10920 2.06768 2.10607 2.10775 2.08936 2.08604 2.15709 1.95570 2.16978 1.94366 1.92959 1.94399 1.87620 1.89090 1.87678 1.92349 1.83861 1.92610 1.92995 1.90705 1.93805 -0.05644 3.12139 -1.11490 3.08611 0.99293 2.08893 0.01321 -2.00693 0.00808 3.07266 -3.11980 0.03391 0.02437 -3.10510 -0.02891 -3.09683 3.11003 0.04210 -1.08031 1.09322 -3.12114 0.94118 3.11470 -1.09965 3.04768 -1.06197 1.00686 3.12524 -0.02891 1.03425 -2.11989 -1.12076 2.00829 -1.03640 1.04633 3.13332 1.13643 -3.06402 -0.97703 -3.02096 -0.93823 1.14877 -1.06606 1.04338 3.13428 3.02839 -1.14534 0.94555 0.94519 3.05464 -1.13765 -3.12602 1.07143 -1.04056 -0.94400 -3.02974 1.14146 1.12814 -0.95760 -3.06959 2.43459 -0.76986 -0.78859 2.29014 3.03708 -0.15854 -0.04034 3.04722 -3.06769 0.06456 0.01398 -3.13695 0.03746 -3.12756 -3.05435 0.06382 -0.60672 2.57142 2.48215 -0.62290 0.01589 3.12308 -3.11616 -0.00898 -0.01931 3.13147 -3.12634 0.02444 2.64540 -1.55316 0.53241 -0.53161 1.55302 -2.64460 -0.00736 3.12507 -3.12501 0.00741 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000009 0.000001 0.001834 0.000263 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -7.144956e-09 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 603 A 582 A 582 916 603 77 77 1744.3967921967 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0466480823 0.000000 4.545875 0.000000 5.738411 2.253796 0.000000 3.578487 3.667237 5.317593 0.000000 2.320020 2.923026 3.984533 2.255157 0.000000 2.491760 4.248588 5.963984 1.475307 2.305494 0.000000 3.112537 4.532519 6.563437 2.503012 3.432120 1.555688 0.000000 1.210224 3.803020 5.168690 2.392616 1.383080 1.542308 2.537853 0.000000 3.095760 5.694525 7.225544 2.460260 3.335958 1.537413 2.575498 2.492555 0.000000 3.479385 3.553211 5.712001 3.020121 3.483723 2.554454 1.535741 2.949338 3.929545 0.000000 4.573969 5.500898 7.620754 3.039532 4.654526 2.563133 1.533820 3.913660 3.083202 2.523036 0.000000 3.444809 2.856288 4.167679 1.279092 1.402210 2.223811 3.349571 2.271735 3.272524 3.464890 4.183274 0.000000 4.781599 2.886863 3.623380 2.445972 2.505844 3.668233 4.708275 3.672062 4.580876 4.620322 5.350872 1.480344 0.000000 5.387180 2.356711 2.394330 3.645024 3.114693 4.725295 5.593304 4.423823 5.803205 5.152991 6.356827 2.546493 1.407641 0.000000 5.763449 4.223673 4.790747 2.976004 3.604978 4.327104 5.457020 4.621807 4.882064 5.622533 5.811286 2.453897 1.397064 2.419162 0.000000 7.044429 4.985097 5.077494 4.352624 4.809968 5.719366 6.810993 5.936164 6.250119 6.864903 7.106976 3.760437 2.441381 2.821131 1.396307 0.000000 6.722049 3.530619 2.892059 4.825281 4.430846 6.016333 6.917462 5.766184 6.982395 6.484501 7.562019 3.802698 2.418391 1.397812 2.769359 2.423493 0.000000 7.440006 4.686214 4.270416 5.106252 5.124702 6.427946 7.435668 6.401620 7.171115 7.222994 7.883526 4.270553 2.794941 2.423526 2.398406 1.398915 1.388804 0.000000 5.099336 1.346454 1.209945 4.174308 3.147706 4.933220 5.539749 4.346011 6.221394 4.765904 6.507050 3.078820 2.566720 1.493636 3.821234 4.309307 2.458506 3.753425 0.000000 8.187653 6.457843 6.559389 5.334288 6.063511 6.686769 7.806404 7.074076 6.954000 8.039541 7.899882 4.971385 3.820124 4.328841 2.524122 1.507773 3.809633 2.531675 5.816699 0.000000 4.786106 1.441727 2.666605 4.757199 3.770330 4.999317 4.976049 4.360271 6.491387 3.723755 6.059329 4.060927 4.298134 3.692775 5.655399 6.405194 4.751825 6.004819 2.366459 7.887241 0.000000 2.868846 5.263389 7.200280 3.403377 3.915468 2.126488 1.096216 2.730680 2.734281 2.145814 2.157672 4.146065 5.579703 6.432851 6.359609 7.735391 7.791085 8.354264 6.269208 8.726425 5.510766 0.000000 4.135483 6.238297 7.877375 2.707418 4.157950 2.171584 2.864786 3.449918 1.089725 4.295366 2.788698 3.768138 4.931971 6.242711 5.005665 6.330355 7.340792 7.378600 6.796323 6.862370 7.114373 3.158994 0.000000 3.283504 5.864760 7.102709 2.714192 3.224241 2.174739 3.519596 2.677192 1.092822 4.719490 4.095781 3.214862 4.353343 5.595635 4.513759 5.815711 6.674640 6.768519 6.159604 6.446815 6.768091 3.710531 1.765917 0.000000 2.937678 6.309576 7.845779 3.407474 3.902032 2.167719 2.786856 2.769415 1.092254 4.185742 3.394727 4.134627 5.517886 6.656415 5.920764 7.291283 7.889306 8.162373 6.912061 8.017881 6.919598 2.495228 1.784108 1.772762 0.000000 2.888543 3.219132 5.190756 3.417826 3.126944 2.824118 2.186196 2.606273 4.223922 1.092801 3.481368 3.514553 4.675465 5.023301 5.841245 7.059689 6.393632 7.279568 4.399552 8.335743 3.124672 2.460824 4.819299 4.879043 4.369257 0.000000 4.073062 2.893856 5.133562 2.692300 3.403052 2.804646 2.178667 3.288584 4.262413 1.093104 2.821507 3.037694 3.935204 4.397641 4.918099 6.069749 5.656647 6.372093 4.103085 7.261784 3.323147 3.062413 4.523367 4.933954 4.756879 1.773429 0.000000 4.321293 4.315330 6.498104 4.007527 4.563529 3.504256 2.170917 3.957788 4.736078 1.093106 2.720756 4.531312 5.622691 6.087732 6.594069 7.801255 7.380574 8.134952 5.607434 8.950314 4.242047 2.513559 4.985105 5.625525 4.863719 1.763539 1.771522 0.000000 5.217733 5.979754 8.182950 4.019975 5.484062 3.507944 2.165481 4.699062 4.079262 2.714443 1.093497 5.085422 6.219867 7.108007 6.750585 8.008803 8.317613 8.710561 7.107607 8.828214 6.340329 2.519443 3.801936 5.126570 4.219500 3.703595 3.114968 2.453414 0.000000 4.861388 6.380283 8.411284 3.454562 5.124105 2.850999 2.194969 4.275268 2.782025 3.487793 1.091850 4.675633 5.867807 7.006809 6.154053 7.462149 8.181001 8.376803 7.289894 8.104438 7.005333 2.492829 2.226422 3.804642 2.983797 4.339696 3.844899 3.713409 1.761243 0.000000 5.090513 5.200646 7.301287 2.711722 4.654086 2.809485 2.172643 4.220160 3.443415 2.814671 1.092526 3.877068 4.815345 5.831512 5.143526 6.356700 6.929738 7.152693 6.133556 7.096113 5.936560 3.067956 3.021195 4.300709 4.031372 3.834827 2.674314 3.114192 1.772154 1.769979 0.000000 2.677080 2.927674 3.415122 3.211430 1.009017 3.288974 4.347071 2.120380 4.229004 4.220047 5.628879 2.161354 2.799131 3.009525 3.956004 4.974505 4.230387 5.063592 2.839081 6.290695 3.641879 4.742838 5.101168 3.984287 4.709078 3.669039 4.122939 5.260601 6.414846 6.117982 5.629053 0.000000 5.693315 4.898179 5.718880 2.698843 3.793105 3.985884 5.166906 4.544765 4.251372 5.614436 5.352922 2.604108 2.132419 3.390906 1.083796 2.155259 3.852911 3.387854 4.692397 2.733921 6.297747 6.037623 4.219955 3.861092 5.324928 5.951916 5.017631 6.570092 6.353451 5.526466 4.702880 4.329000 0.000000 7.343062 3.799828 2.602069 5.746634 5.130876 6.863014 7.677889 6.478409 7.911122 7.081343 8.388680 4.676827 3.393273 2.137889 3.852452 3.407545 1.083160 2.153285 2.608858 4.683426 4.789996 8.522694 8.321802 7.623647 8.771538 6.894559 6.251838 7.922013 9.078414 9.073562 7.778396 4.783334 4.935938 0.000000 8.493889 5.604292 4.934484 6.172728 6.181226 7.507180 8.506820 7.473214 8.215164 8.266242 8.911171 5.354966 3.879715 3.400978 3.385523 2.153623 2.142508 1.084814 4.599296 2.737866 6.856764 9.434821 8.390742 7.777420 9.214700 8.321665 7.385837 9.153450 9.723860 9.397370 8.140885 6.059844 4.292027 2.475884 0.000000 9.129560 6.975548 6.936587 6.215892 6.941633 7.617325 8.651637 8.004244 7.967817 8.770460 8.692727 5.829999 4.570012 4.840546 3.388017 2.160120 4.064393 2.697653 6.279148 1.092213 8.376621 9.613158 7.847528 7.505536 9.040760 9.081509 7.915964 9.635043 9.566090 8.952158 7.823339 7.122642 3.721030 4.768815 2.501858 0.000000 8.351699 7.036068 6.947942 5.802779 6.305462 7.041789 8.296509 7.310625 7.149859 8.629918 8.479165 5.372270 4.299609 4.817749 3.039157 2.152407 4.291198 3.046229 6.296400 1.095323 8.448943 9.140156 7.120115 6.494604 8.171248 8.849985 7.935783 9.594867 9.462909 8.598971 7.760386 6.448153 3.149227 5.124608 3.157683 1.764100 0.000000 8.181412 6.749178 7.178491 5.088803 6.191986 6.426454 7.480802 7.037465 6.563966 7.853319 7.387181 4.993455 4.066119 4.835290 2.688259 2.160223 4.553353 3.394111 6.304771 1.092017 8.189917 8.407193 6.314119 6.126017 7.641213 8.274180 7.105155 8.717917 8.311886 7.500860 6.552399 6.580246 2.498359 5.499402 3.722416 1.770895 1.764330 0.000000 4.321196 2.087465 2.728618 5.050181 3.608286 5.074466 5.170811 4.130811 6.481289 4.054154 6.437360 4.260648 4.632475 4.054250 6.027437 6.820953 5.144719 6.425211 2.689438 8.313713 1.091608 5.531884 7.238389 6.683977 6.794723 3.215050 3.899368 4.629661 6.762524 7.306432 6.456616 3.275535 6.643439 5.162579 7.286865 8.873950 8.755954 8.660101 0.000000 4.725560 2.022042 3.717536 4.674956 4.043597 4.763984 4.415097 4.331558 6.288185 2.999577 5.417892 4.258883 4.731365 4.376851 6.045230 6.914809 5.511496 6.668910 3.237488 8.347588 1.086702 4.917944 6.841123 6.734401 6.646412 2.486229 2.694460 3.318764 5.549244 6.418108 5.368146 4.145914 6.553728 5.655297 7.562264 8.863001 8.969828 8.521172 1.790673 0.000000 5.852593 2.088460 2.602153 5.663623 4.731902 6.033356 5.989051 5.424488 7.529397 4.677135 6.979194 4.919613 4.897532 4.039384 6.195293 6.752161 4.841877 6.151782 2.642793 8.234577 1.090547 6.555572 8.115515 7.778767 7.993619 4.147546 4.177280 5.083115 7.205469 7.958988 6.772927 4.510672 6.945894 4.652276 6.880501 8.599565 8.834127 8.617413 1.779455 1.794772 0.000000 C16H20N2O3 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 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8793,.6004,2.1272;.3361,2.1896,-.6657;2.0268,3.1013,.5133;-.97,-1.2168,-.293;-.718,.3303,1.3283;-2.3008,-.9972,.3046;-3.3196,-.4884,-.7553;-2.0777,.0826,1.383;-2.7661,-2.2833,1.0068;-2.8906,.8644,-1.3421;-3.5492,-1.5124,-1.8739;-.1454,-.45,.3137;1.3149,-.424,.0724;2.0772,.7583,.0227;1.962,-1.6574,-.0363;3.348,-1.7525,-.1767;3.4678,.6663,-.0852;4.0939,-.5691,-.1878;1.4989,2.1354,.011;4.0213,-3.0985,-.2679;-.3128,3.4763,-.7099;-4.2571,-.3392,-.2071;-2.8179,-3.1063,.2944;-2.0629,-2.5626,1.7953;-3.7476,-2.1254,1.4591;-2.8334,1.635,-.5693;-1.9132,.7859,-1.8252;-3.6156,1.1991,-2.0886;-4.2569,-1.112,-2.6051;-3.9628,-2.4507,-1.499;-2.6113,-1.7334,-2.3889;-.2355,.9751,1.9362;1.3555,-2.5548,0;4.0456,1.5822,-.1094;5.1733,-.6149,-.286;4.9459,-3.0425,-.8466;4.2796,-3.4677,.7305;3.3686,-3.8395,-.7339;-.6056,3.7857,.2952;-1.1894,3.3349,-1.3365;.3566,4.2243,-1.136; 0.4334271 0.2398305 0.1838458 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= 582 RedAO= T EigKep= 1.23D-06 NBF= 582 NBsUse= 579 1.00D-06 EigRej= 7.54D-07 NBFU= 579 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= 602 602 602 602 602 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -957.271282439091 -957.271282439 1 9.532715700868e+02 -5.719419595291e+03 2.064526598651e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323881972 LenY= 11323517760 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 41. Will process 42 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 12681 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 810000000 NMat= 123 IRICut= 307 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 123 NMatS0= 123 NMatT0= 0 NMatD0= 123 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 78.82% of shell-pairs survive, threshold= 0.20 IRatSp=79. There are 126 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 123 vectors produced by pass 0 Test12= 3.87D-14 1.00D-09 XBig12= 2.46D+02 7.28D+00. AX will form 123 AO Fock derivatives at one time. 123 vectors produced by pass 1 Test12= 3.87D-14 1.00D-09 XBig12= 6.95D+01 1.32D+00. 123 vectors produced by pass 2 Test12= 3.87D-14 1.00D-09 XBig12= 6.17D-01 1.04D-01. 123 vectors produced by pass 3 Test12= 3.87D-14 1.00D-09 XBig12= 2.59D-03 7.34D-03. 123 vectors produced by pass 4 Test12= 3.87D-14 1.00D-09 XBig12= 6.15D-06 2.41D-04. 105 vectors produced by pass 5 Test12= 3.87D-14 1.00D-09 XBig12= 9.46D-09 8.50D-06. 38 vectors produced by pass 6 Test12= 3.87D-14 1.00D-09 XBig12= 1.33D-11 4.90D-07. 3 vectors produced by pass 7 Test12= 3.87D-14 1.00D-09 XBig12= 1.78D-14 1.99D-08. InvSVY: IOpt=1 It= 1 EMax= 2.66D-14 Solved reduced A of dimension 761 with 126 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 213.90 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 261.134 -7.739 225.972 0.501 6.827 154.588 361.284 0.527 342.144 -2.943 25.618 242.940 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT36163.100S Mon Sep 9 14:18:08 2024 -19.18406 -19.12652 -19.11050 -14.36631 -14.30517 -10.31922 -10.28463 -10.26739 -10.23528 -10.22038 -10.21864 -10.21383 -10.21045 -10.20124 -10.19682 -10.19673 -10.18577 -10.18351 -10.17036 -10.15771 -10.15586 -1.12589 -1.06516 -1.03769 -1.00514 -0.89371 -0.89126 -0.82243 -0.81022 -0.78365 -0.75523 -0.74735 -0.71154 -0.69576 -0.68080 -0.64399 -0.63190 -0.61676 -0.60579 -0.58885 -0.56218 -0.55314 -0.51726 -0.51099 -0.49981 -0.49264 -0.48409 -0.47973 -0.47100 -0.45442 -0.45360 -0.44372 -0.44144 -0.43592 -0.43311 -0.42076 -0.41597 -0.40630 -0.39495 -0.39099 -0.38949 -0.38419 -0.38211 -0.37956 -0.37537 -0.36878 -0.35348 -0.34310 -0.33944 -0.33526 -0.32376 -0.31089 -0.30166 -0.28317 -0.27207 -0.25830 -0.25531 -0.07196 -0.04753 -0.01332 -0.00602 0.00177 0.00896 0.00961 0.01314 0.01787 0.02648 0.02671 0.02962 0.03850 0.03973 0.04301 0.04508 0.04882 0.05480 0.05782 0.06074 0.06656 0.06790 0.07260 0.07651 0.08251 0.08475 0.08711 0.09197 0.09605 0.09941 0.10137 0.10305 0.10985 0.11172 0.11670 0.12019 0.12346 0.12405 0.13554 0.13674 0.13954 0.14237 0.14362 0.14688 0.14862 0.15235 0.15765 0.16163 0.16292 0.16407 0.16937 0.17618 0.17717 0.17919 0.18451 0.18665 0.18731 0.19338 0.19501 0.19670 0.20297 0.20631 0.20860 0.21067 0.21388 0.21478 0.22255 0.22349 0.22588 0.22741 0.22827 0.23360 0.23427 0.23800 0.24345 0.24507 0.24951 0.25207 0.25546 0.25664 0.25963 0.26209 0.26573 0.26948 0.27239 0.27289 0.27466 0.27498 0.28296 0.28627 0.29053 0.29716 0.29863 0.30018 0.30455 0.31100 0.31541 0.31821 0.32429 0.32781 0.32995 0.33314 0.33603 0.34065 0.34297 0.34787 0.35383 0.35940 0.36593 0.36667 0.36907 0.37379 0.38431 0.39287 0.39671 0.39863 0.41124 0.41188 0.41787 0.42491 0.42776 0.43533 0.44480 0.44908 0.45247 0.46018 0.47800 0.48272 0.48468 0.49740 0.49948 0.50420 0.51184 0.51610 0.52117 0.52856 0.53350 0.53788 0.54886 0.55473 0.55699 0.56915 0.57296 0.57565 0.58591 0.58781 0.59334 0.60390 0.61321 0.61899 0.62246 0.63106 0.63420 0.63889 0.64273 0.64592 0.64915 0.65306 0.66697 0.66918 0.67600 0.68118 0.68167 0.68941 0.68997 0.69520 0.69962 0.70693 0.70769 0.71355 0.71767 0.72340 0.72428 0.73243 0.74311 0.74776 0.74920 0.75644 0.75973 0.76186 0.76638 0.77218 0.78722 0.79855 0.80469 0.81439 0.81766 0.82684 0.83143 0.84399 0.84968 0.85881 0.85980 0.88562 0.89646 0.90092 0.91147 0.92071 0.93191 0.94050 0.94934 0.96002 0.97163 0.98363 0.99021 0.99861 1.00305 1.01141 1.02127 1.03041 1.03478 1.04410 1.04954 1.05777 1.07388 1.08006 1.08884 1.09063 1.11371 1.11707 1.13530 1.14761 1.16219 1.16788 1.18938 1.19400 1.19805 1.20282 1.20816 1.22791 1.23817 1.24228 1.25716 1.27345 1.28298 1.28843 1.30736 1.31384 1.32832 1.34211 1.34747 1.35061 1.36407 1.37308 1.38664 1.39244 1.40385 1.42244 1.43415 1.45036 1.46537 1.46581 1.47484 1.48240 1.49030 1.49525 1.50331 1.51355 1.52554 1.52812 1.53430 1.54219 1.54766 1.55153 1.55505 1.56456 1.56529 1.57041 1.58605 1.59019 1.59328 1.60484 1.60893 1.61554 1.62202 1.63989 1.64173 1.65029 1.65954 1.66463 1.67363 1.67915 1.68551 1.69302 1.69581 1.70898 1.71871 1.72631 1.73472 1.74342 1.75252 1.75884 1.76592 1.77923 1.78198 1.79453 1.80239 1.81170 1.82085 1.82868 1.82937 1.83550 1.84849 1.86356 1.86739 1.88289 1.89194 1.89821 1.91129 1.92739 1.93121 1.94950 1.95762 1.96435 1.98495 1.98869 1.99151 2.00447 2.00827 2.02194 2.04574 2.06011 2.06883 2.07015 2.07805 2.08555 2.10100 2.11700 2.13449 2.15380 2.15818 2.16882 2.18236 2.19863 2.20275 2.22129 2.22941 2.25071 2.26552 2.28749 2.30672 2.31578 2.32552 2.34348 2.35577 2.35984 2.39442 2.40335 2.41518 2.41932 2.42587 2.43133 2.44183 2.46777 2.48539 2.50247 2.51003 2.52045 2.52661 2.52821 2.53255 2.54306 2.54762 2.55126 2.56739 2.57823 2.58292 2.58805 2.59321 2.59508 2.61396 2.61837 2.63161 2.63391 2.64040 2.65332 2.67394 2.68355 2.69057 2.70604 2.71212 2.71575 2.72016 2.73182 2.73757 2.76736 2.77670 2.79351 2.80641 2.81287 2.82215 2.83661 2.84128 2.84697 2.85262 2.86430 2.86598 2.88225 2.88743 2.89447 2.90345 2.92042 2.92432 2.93305 2.95060 2.95892 2.97693 2.99130 3.00569 3.01405 3.02307 3.04533 3.05142 3.08003 3.09577 3.10495 3.11921 3.15653 3.16383 3.17886 3.20434 3.20802 3.23452 3.24838 3.26869 3.30578 3.33974 3.36203 3.37651 3.39150 3.40147 3.42929 3.49127 3.52669 3.54353 3.56411 3.58871 3.60574 3.64715 3.66176 3.68177 3.74766 3.77486 3.78950 3.79121 3.79898 3.81125 3.81513 3.81729 3.82688 3.85258 3.85839 3.86698 3.96945 3.98555 4.03112 4.03963 4.05302 4.09915 4.12666 4.17213 4.19758 4.24083 4.29701 4.31830 4.34846 4.36461 4.58837 4.80270 4.83859 4.89372 5.07006 5.10093 5.14137 5.18682 5.22150 5.29194 5.41568 5.62314 5.82610 5.86266 23.58040 23.79395 23.84302 23.84388 23.89770 23.90833 23.92099 23.93982 23.94143 23.96137 23.97422 23.98785 24.01280 24.04411 24.08089 24.15934 35.58047 35.73965 49.89371 50.01021 50.06877 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 O O O N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.312623 0.005075 -0.236393 0.217189 -0.057734 0.518433 -0.101322 -0.166367 -0.379725 -0.398185 -0.593706 -0.448904 0.416665 0.474602 -0.041338 -0.015012 -0.230015 -0.721982 -0.530215 -0.432328 -0.184467 0.161763 0.160807 0.151132 0.170270 0.135297 0.158361 0.142241 0.137244 0.135174 0.168140 0.300943 0.145285 0.148174 0.129883 0.147605 0.178077 0.152458 0.164258 0.164431 0.166809 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 O O O N N C C C C C C C C C C C C C C C C -0.312623 0.005075 -0.236393 0.217189 0.243209 0.518433 0.060441 -0.166367 0.102484 0.037713 -0.153147 -0.448904 0.416665 0.474602 0.103947 -0.015012 -0.081841 -0.592100 -0.530215 0.045812 0.311031 0.00000 9.68745546e-01 -6.90993022e-01 -6.37601801e-01 2.61133978e+02 -7.73904502e+00 2.25972114e+02 5.01296088e-01 6.82744556e+00 1.54587754e+02 -1.7213 -0.0007 -0.0006 -0.0005 2.8114 6.0167 28.6151 35.5061 39.9437 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 28.6008 35.5058 39.9421 58.5704 70.0005 79.4966 86.5993 112.3940 113.8569 154.6089 167.4201 179.4008 198.6857 218.0864 224.2414 232.5389 248.8055 257.0716 284.1889 299.8923 308.8142 326.7851 341.8250 360.6187 384.3834 390.4723 424.7333 450.9008 500.0536 524.7732 538.0704 572.3898 602.2330 616.0183 654.0034 683.5956 711.8956 732.6766 748.6462 773.6373 799.2368 816.7159 844.6743 857.0451 872.2041 920.5707 932.3050 951.6515 953.3957 973.8307 975.7235 976.1302 992.5890 1023.9253 1060.2224 1066.4199 1075.8323 1100.4813 1126.4864 1141.8781 1164.0648 1172.7156 1175.1870 1199.9489 1211.6754 1215.8249 1223.9181 1265.1902 1272.3375 1294.5477 1314.4586 1331.3339 1350.8033 1362.3665 1402.0203 1408.6548 1409.7485 1416.2236 1426.2305 1452.4701 1470.8879 1485.4895 1487.1834 1492.0686 1492.8339 1493.3227 1494.6913 1497.9270 1507.2153 1512.3804 1522.1917 1523.8082 1600.0803 1645.2827 1676.2008 1764.0149 1805.7831 3022.7474 3023.4385 3025.7857 3031.2914 3037.4541 3047.6583 3079.8260 3088.1813 3092.5328 3099.5237 3102.3280 3106.6909 3106.8518 3121.0014 3129.5697 3165.4798 3167.1661 3182.2418 3194.9244 3629.8027 5.2856 1.0253 4.5702 3.7008 3.4694 2.7618 5.0727 2.7176 3.2625 1.6555 3.2249 4.1652 4.3110 1.4011 1.1679 3.4105 1.6042 1.8005 3.5397 2.5335 4.8907 3.6546 2.9969 4.5249 3.7427 3.0865 3.0481 2.6971 1.5431 4.3014 2.4507 3.8371 4.6515 4.6420 4.3989 7.4069 4.8932 4.7640 5.9167 6.7435 3.3991 5.0644 3.4344 1.8659 2.6108 1.5702 2.0951 1.5916 1.5896 1.6912 3.5449 3.1060 1.4237 1.4599 1.5773 1.7778 2.6866 2.7242 2.9150 2.7100 2.0110 1.3154 1.9445 2.0139 1.8776 2.0011 2.7415 4.9529 2.0535 4.0944 1.6944 6.5956 1.4115 1.3359 1.2438 2.0952 1.2831 1.2360 1.2143 2.8680 1.1966 1.0475 1.0529 1.0506 1.0656 1.0824 1.1591 1.0487 1.0430 1.0531 1.1087 2.4938 6.0454 5.8403 10.5787 11.6343 10.9906 1.0402 1.0833 1.0345 1.0354 1.0357 1.0311 1.0951 1.1015 1.1008 1.1026 1.1022 1.1029 1.1018 1.1067 1.1019 1.0895 1.1054 1.0910 1.0935 1.0803 0.0025 0.0008 0.0043 0.0075 0.0100 0.0103 0.0224 0.0202 0.0249 0.0233 0.0533 0.0790 0.1003 0.0393 0.0346 0.1087 0.0585 0.0701 0.1684 0.1342 0.2748 0.2299 0.2063 0.3467 0.3258 0.2773 0.3240 0.3231 0.2273 0.6979 0.4180 0.7407 0.9940 1.0379 1.1085 2.0393 1.4611 1.5068 1.9538 2.3780 1.2793 1.9903 1.4437 0.8075 1.1702 0.7840 1.0729 0.8493 0.8513 0.9449 1.9884 1.7437 0.8264 0.9018 1.0446 1.1912 1.8321 1.9438 2.1794 2.0819 1.6055 1.0659 1.5822 1.7085 1.6242 1.7428 2.4196 4.6711 1.9586 4.0427 1.7249 6.8878 1.5174 1.4609 1.4405 2.4496 1.5024 1.4607 1.4553 3.5649 1.5253 1.3619 1.3720 1.3780 1.3991 1.4221 1.5257 1.3864 1.3960 1.4191 1.5136 3.4117 9.1192 9.3146 17.5120 21.3303 21.1156 5.5996 5.8345 5.5801 5.6055 5.6301 5.6426 6.1202 6.1891 6.2029 6.2409 6.2498 6.2719 6.2659 6.3511 6.3585 6.4320 6.5331 6.5094 6.5765 8.3864 1.0596 0.2514 0.5870 0.0530 1.8806 0.0429 2.4569 1.2189 0.1194 0.4993 0.2588 0.4538 2.4904 0.6551 0.5353 4.8282 1.4621 0.6903 5.1953 1.6698 5.6683 3.9093 1.8543 8.4827 2.3046 2.9419 3.2109 4.7540 61.6675 3.7538 29.6415 5.9944 5.0427 4.9199 8.6738 3.5989 6.3779 1.6646 2.7919 9.2911 17.2971 5.7716 21.2366 6.6219 2.2265 2.6990 3.7382 3.7075 1.3663 2.0523 4.7274 12.2691 0.5902 3.0768 8.8014 28.8211 32.5370 11.3110 88.3732 33.2680 49.4958 1.4009 22.4376 4.7756 10.0306 28.2937 60.7927 74.5434 34.9123 265.9472 32.8308 0.7982 12.4242 8.7864 21.2822 102.9346 28.2272 2.6938 11.3734 82.7823 21.5234 9.1363 6.0248 5.1585 13.6150 7.0576 2.2641 0.8045 9.0182 7.9271 5.4358 7.2629 4.2286 48.3826 163.7649 317.5787 451.5325 21.1323 10.3886 22.9243 28.1325 19.1839 26.5601 14.4113 10.3567 55.0188 12.6084 12.5474 17.1460 37.5902 16.0139 11.2443 9.9748 7.4481 1.9004 3.4252 40.8420 0.01 0.16 -0.08 0.08 0.00 -0.10 -0.16 -0.07 0.31 -0.00 -0.04 0.06 0.01 0.06 -0.04 -0.00 0.02 0.03 0.02 -0.03 -0.01 0.01 0.09 -0.04 -0.04 0.08 0.12 0.07 -0.09 -0.12 -0.01 -0.11 0.07 0.01 -0.01 0.02 0.00 -0.02 0.00 -0.01 -0.02 0.04 0.01 -0.01 -0.06 0.01 0.00 -0.09 -0.01 0.00 0.02 -0.00 0.01 -0.04 -0.04 -0.03 0.10 0.02 0.02 -0.16 0.01 -0.03 -0.03 0.02 0.05 -0.03 -0.04 0.03 0.18 -0.05 0.13 0.15 -0.04 0.13 0.09 0.10 -0.03 -0.18 0.07 -0.16 -0.11 0.08 -0.12 -0.14 0.02 -0.14 0.03 -0.05 -0.06 0.14 -0.01 -0.19 0.10 0.02 0.07 -0.05 0.02 -0.02 -0.08 -0.01 0.01 0.06 -0.00 0.02 -0.06 -0.03 0.04 -0.24 0.11 0.01 -0.19 -0.01 0.01 -0.12 -0.20 -0.20 -0.04 0.14 0.02 -0.23 0.05 0.08 0.21 -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 0.00 -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 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 0.01 0.00 -0.01 0.01 0.00 -0.01 0.01 0.00 -0.01 0.01 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.28 -0.09 -0.47 0.54 0.28 -0.03 -0.17 -0.15 0.52 0.01 0.01 0.02 -0.01 0.01 0.02 -0.00 0.00 0.01 -0.08 0.09 -0.11 -0.02 0.06 0.18 0.17 0.04 -0.09 0.01 -0.01 0.03 -0.04 0.04 -0.00 -0.00 -0.01 0.00 0.00 -0.10 -0.04 -0.05 0.04 -0.05 0.03 0.01 0.06 -0.02 -0.13 -0.12 0.05 -0.18 0.01 -0.01 0.03 0.02 -0.01 0.03 0.02 0.02 0.02 0.01 -0.03 0.02 -0.00 -0.04 -0.01 -0.04 0.01 -0.02 -0.02 -0.02 -0.03 -0.05 0.07 0.04 0.03 -0.08 -0.03 -0.08 0.02 0.09 0.22 -0.01 -0.09 -0.07 0.07 -0.03 0.11 0.02 0.08 0.09 0.01 0.00 0.04 -0.05 -0.08 -0.16 -0.01 -0.13 -0.10 -0.01 -0.19 -0.15 0.05 -0.24 -0.03 0.06 -0.16 0.07 0.06 -0.19 0.05 -0.08 0.11 -0.05 -0.05 0.03 -0.00 0.03 -0.03 -0.03 -0.02 -0.05 -0.08 -0.04 -0.03 -0.02 -0.15 -0.09 -0.08 -0.08 0.02 -0.16 0.22 0.17 0.25 -0.09 0.08 0.38 -0.02 0.03 0.05 -0.03 0.05 -0.01 -0.07 -0.04 0.02 -0.04 -0.02 -0.05 0.01 -0.06 0.11 -0.01 -0.01 0.06 -0.01 0.00 0.04 0.09 0.03 -0.05 -0.02 0.02 0.02 -0.11 0.04 0.03 0.11 0.06 0.05 0.25 0.07 -0.12 0.00 -0.04 0.10 -0.00 -0.03 0.07 -0.03 -0.02 -0.02 0.01 -0.02 0.07 0.00 -0.00 -0.03 -0.03 0.00 -0.13 -0.02 0.01 -0.13 -0.05 -0.03 -0.02 0.02 0.00 -0.03 -0.08 -0.05 0.03 0.02 -0.03 -0.14 -0.15 0.04 0.03 -0.16 -0.00 0.06 -0.12 0.11 -0.01 -0.04 0.04 0.09 0.18 0.12 0.19 0.20 0.05 -0.04 0.28 0.06 -0.15 0.28 0.02 -0.20 0.30 0.16 -0.06 -0.02 0.02 0.05 0.03 -0.03 0.15 -0.05 0.01 -0.20 -0.03 0.03 -0.22 0.05 0.03 0.03 -0.05 -0.03 -0.03 0.05 0.02 -0.10 -0.10 -0.08 0.04 -0.07 -0.04 0.02 -0.08 -0.03 0.06 0.06 0.08 -0.05 -0.05 -0.01 0.02 -0.03 -0.05 0.03 -0.00 0.03 -0.06 0.05 -0.03 -0.02 0.01 0.04 -0.04 -0.02 0.03 -0.00 0.04 0.04 -0.04 0.03 0.04 -0.01 -0.03 0.02 -0.05 -0.09 0.02 0.03 0.02 -0.02 -0.05 0.02 -0.03 -0.05 0.01 -0.02 -0.10 0.04 -0.03 0.02 0.04 -0.01 0.04 0.01 -0.00 -0.12 0.02 0.00 -0.05 -0.02 -0.03 -0.02 0.07 -0.01 0.19 -0.14 -0.05 0.23 0.00 0.06 0.03 0.02 0.04 -0.00 0.05 0.06 -0.02 0.04 0.04 0.01 0.01 0.03 -0.06 -0.05 -0.01 -0.08 -0.05 0.01 -0.02 -0.11 0.02 0.05 -0.10 0.04 0.06 -0.12 -0.02 -0.01 0.08 -0.05 -0.01 0.05 -0.03 0.07 -0.01 0.00 -0.16 0.02 0.01 -0.05 0.12 -0.04 0.26 -0.00 0.07 0.24 0.12 -0.05 0.19 -0.23 -0.28 0.27 -0.09 0.01 0.14 -0.17 0.09 0.43 -0.01 -0.02 0.01 -0.05 -0.02 0.06 0.02 0.02 -0.08 0.00 -0.02 0.02 -0.00 -0.06 0.06 -0.01 -0.00 -0.00 0.04 0.07 -0.01 -0.01 -0.03 0.02 -0.07 -0.00 -0.05 0.22 -0.03 -0.12 -0.16 0.03 0.07 0.00 -0.04 0.05 0.00 -0.02 0.04 -0.02 -0.00 0.03 0.02 -0.00 0.03 0.02 0.02 -0.01 -0.02 0.02 0.00 0.00 0.03 -0.02 -0.02 -0.00 0.00 0.05 0.04 -0.04 -0.00 0.01 -0.02 0.08 0.25 0.01 -0.03 0.01 -0.07 -0.14 -0.02 -0.00 -0.11 0.00 -0.12 0.41 -0.01 -0.16 0.17 -0.22 -0.18 0.22 0.05 -0.08 -0.06 0.12 0.02 -0.38 0.15 0.15 -0.20 -0.22 0.10 -0.00 -0.06 0.06 0.04 -0.02 0.03 -0.04 0.03 -0.01 0.00 0.06 -0.04 0.05 0.07 -0.03 0.05 0.01 -0.05 0.06 0.04 -0.06 -0.03 0.06 -0.05 0.02 0.02 -0.05 0.05 -0.04 -0.03 0.03 0.17 -0.10 -0.07 -0.15 0.09 -0.00 0.03 -0.15 -0.01 0.03 -0.04 0.06 -0.09 0.06 -0.00 0.06 -0.02 -0.04 0.02 0.00 0.03 0.06 -0.03 0.02 0.07 0.03 -0.11 0.05 0.02 -0.01 0.03 -0.01 0.02 -0.04 0.01 0.02 -0.05 0.02 0.01 -0.03 0.11 0.04 -0.03 -0.05 0.05 0.01 -0.02 0.02 -0.00 0.20 0.04 0.02 0.16 -0.02 -0.04 0.01 0.08 0.03 -0.18 -0.11 -0.17 -0.02 -0.04 -0.03 0.02 -0.02 0.06 0.05 0.05 0.08 0.00 0.04 0.09 0.07 -0.18 0.05 0.03 -0.10 0.11 0.03 -0.12 0.02 0.01 -0.07 -0.00 0.03 0.07 -0.01 -0.01 -0.01 0.11 -0.05 0.07 -0.07 0.03 0.06 -0.04 -0.15 0.00 0.01 0.29 0.05 0.04 0.22 0.04 0.11 -0.23 0.15 -0.06 -0.23 0.07 0.06 -0.22 -0.11 -0.09 -0.04 -0.11 -0.25 0.01 -0.14 -0.19 -0.09 0.06 0.05 -0.02 -0.05 0.05 0.03 0.01 -0.05 0.02 -0.04 -0.11 0.01 0.02 -0.04 -0.07 -0.03 -0.04 0.02 -0.01 -0.01 0.01 0.02 -0.00 -0.02 -0.11 0.02 0.07 0.01 0.00 0.05 0.01 0.02 -0.01 -0.02 -0.08 -0.05 -0.02 -0.05 -0.09 -0.05 -0.03 -0.03 0.02 -0.03 -0.09 0.04 0.02 -0.01 -0.05 0.02 0.02 -0.00 0.04 0.05 -0.04 -0.02 0.00 0.11 0.05 0.06 0.09 0.13 0.00 -0.02 -0.01 -0.00 -0.21 0.00 0.09 -0.11 -0.02 0.05 -0.08 0.12 0.10 -0.04 -0.01 0.06 0.03 0.02 0.09 0.04 0.00 0.02 -0.01 0.02 0.01 0.03 -0.01 -0.04 0.01 0.05 -0.03 0.05 -0.00 -0.12 0.05 -0.05 -0.12 -0.07 0.03 0.07 0.01 0.08 0.11 0.13 0.08 0.10 0.08 0.09 0.08 0.17 -0.00 0.05 0.45 0.36 0.03 -0.12 0.12 0.30 0.05 -0.04 -0.35 0.06 -0.06 0.09 0.00 0.01 -0.04 0.03 0.03 -0.08 -0.01 -0.07 0.04 -0.00 0.09 -0.12 -0.00 -0.03 0.04 0.05 0.00 0.00 0.02 -0.01 0.01 -0.08 0.01 0.05 0.12 -0.02 0.01 0.06 0.00 -0.00 -0.02 0.02 -0.08 -0.02 0.03 -0.10 0.00 0.02 -0.03 -0.04 0.02 -0.11 -0.03 -0.00 0.00 0.01 -0.01 0.11 -0.00 -0.02 0.15 0.02 0.03 -0.06 -0.06 -0.01 -0.01 -0.11 -0.04 0.11 0.03 0.04 -0.04 -0.14 0.00 0.06 -0.10 -0.03 0.06 -0.07 0.08 0.05 0.11 -0.01 -0.00 0.14 -0.05 0.05 0.17 -0.00 -0.03 0.10 0.02 -0.03 0.01 0.02 -0.01 0.07 -0.03 0.04 0.01 0.10 -0.15 -0.06 0.03 -0.19 0.03 -0.02 0.20 0.01 -0.04 0.27 -0.07 -0.03 -0.03 -0.04 -0.02 -0.02 -0.08 -0.00 0.00 -0.36 -0.31 0.12 0.04 0.02 -0.11 -0.09 0.13 0.43 0.05 -0.03 0.08 -0.02 -0.04 -0.02 -0.08 0.00 0.03 0.01 0.05 -0.02 0.02 0.02 0.00 0.01 0.04 -0.01 0.02 0.02 -0.03 0.02 0.02 0.02 0.02 0.04 -0.01 0.04 -0.01 -0.07 0.04 -0.02 0.00 0.01 0.03 -0.01 0.00 0.01 -0.01 0.01 0.01 -0.01 -0.02 0.01 -0.01 -0.02 -0.01 0.00 0.01 -0.01 0.01 -0.00 -0.02 0.02 -0.02 -0.01 -0.00 -0.05 -0.03 0.00 -0.05 -0.05 0.02 0.01 0.04 -0.05 0.05 0.03 -0.01 0.02 0.06 -0.00 0.02 0.02 -0.03 0.02 0.02 -0.09 0.05 -0.02 -0.05 0.06 -0.03 -0.10 0.08 -0.03 -0.05 -0.01 0.01 0.03 0.05 -0.08 0.06 0.04 -0.02 0.04 -0.03 0.02 -0.02 0.02 -0.02 0.01 -0.00 -0.03 0.03 -0.06 -0.05 -0.01 -0.04 -0.02 0.00 -0.07 -0.01 0.02 0.42 0.17 0.09 -0.34 -0.19 0.45 -0.25 -0.14 -0.45 0.09 -0.06 0.17 -0.05 0.01 0.07 0.03 -0.02 -0.02 -0.05 0.07 -0.05 0.04 -0.08 0.07 -0.04 0.09 -0.02 -0.03 0.00 -0.07 0.03 0.01 0.05 -0.04 0.11 0.02 -0.09 -0.02 -0.15 0.11 -0.09 -0.03 -0.01 -0.02 0.00 -0.02 -0.03 -0.02 -0.03 -0.02 0.00 -0.01 -0.02 -0.04 -0.00 -0.00 -0.01 -0.03 0.00 -0.00 -0.02 0.01 -0.01 -0.02 -0.01 0.02 0.03 0.01 0.03 0.05 0.06 -0.05 -0.07 -0.03 -0.13 -0.07 0.08 0.06 -0.03 0.12 0.02 -0.02 0.15 0.04 -0.07 0.03 -0.19 -0.11 -0.02 -0.19 -0.13 -0.07 -0.14 0.17 -0.17 -0.13 0.10 -0.08 -0.00 0.17 -0.10 0.09 0.09 -0.19 0.15 0.00 -0.03 -0.05 -0.04 0.01 0.01 -0.02 0.02 0.00 0.05 0.02 0.05 0.02 0.05 0.05 0.06 -0.02 0.03 -0.26 -0.01 -0.12 0.24 0.15 -0.34 0.23 0.05 0.22 -0.03 -0.12 0.10 0.10 0.00 -0.12 0.06 -0.04 -0.03 -0.01 -0.03 0.04 -0.06 0.12 -0.09 -0.04 0.03 -0.02 -0.06 0.01 -0.03 -0.05 0.01 -0.01 -0.14 0.07 0.00 -0.13 0.01 -0.06 -0.07 -0.01 -0.02 -0.01 -0.00 0.02 0.02 -0.04 0.10 0.02 -0.03 0.01 0.08 -0.02 0.17 0.08 0.01 0.06 0.02 0.00 0.00 0.05 0.03 0.00 0.05 -0.03 -0.06 0.15 0.06 -0.12 0.02 -0.03 0.10 -0.05 -0.02 -0.02 -0.18 0.05 0.03 -0.19 0.05 0.04 -0.15 0.16 -0.04 -0.18 0.03 -0.08 -0.12 0.06 -0.06 -0.15 -0.04 -0.07 -0.13 -0.04 0.02 -0.01 -0.03 0.00 -0.09 0.03 -0.07 -0.05 0.00 0.02 0.11 -0.05 0.22 -0.01 0.02 -0.05 0.05 0.05 -0.07 0.13 0.20 -0.13 0.19 -0.07 -0.18 0.18 0.09 -0.21 0.19 -0.13 0.18 -0.09 -0.02 0.25 -0.10 0.05 0.04 -0.01 -0.07 0.03 0.02 -0.12 0.20 0.06 0.06 0.05 0.01 -0.04 0.03 -0.04 0.11 -0.12 -0.01 -0.01 -0.00 -0.01 -0.00 -0.01 -0.02 0.01 -0.03 -0.10 0.04 0.04 -0.04 0.00 -0.01 -0.06 0.02 -0.02 -0.01 0.03 -0.04 0.02 0.03 -0.02 0.06 0.02 0.09 0.01 0.04 -0.11 0.01 0.03 -0.10 0.05 0.02 -0.04 0.03 0.02 -0.15 0.06 0.01 0.14 0.02 0.02 0.13 -0.02 -0.17 -0.10 -0.00 -0.00 0.01 -0.21 0.03 0.06 -0.10 -0.00 0.02 -0.07 0.16 0.07 -0.08 0.01 -0.01 -0.02 0.02 0.02 -0.02 -0.02 -0.03 -0.16 0.00 0.07 0.04 -0.02 -0.01 -0.10 0.09 -0.12 -0.06 0.14 -0.13 0.01 0.04 -0.13 0.05 0.02 -0.03 0.03 0.00 -0.21 0.07 -0.07 0.20 -0.06 0.18 0.21 0.06 -0.06 0.20 -0.11 0.03 -0.19 0.03 -0.34 -0.14 -0.02 -0.23 -0.21 -0.02 0.04 -0.01 0.04 -0.01 -0.03 0.02 0.00 0.00 -0.01 0.00 0.02 -0.01 -0.01 0.03 -0.02 -0.00 0.02 -0.02 0.00 0.01 -0.01 -0.00 0.02 -0.06 -0.03 -0.06 -0.05 0.02 0.04 0.04 -0.04 0.03 -0.01 0.00 0.01 -0.00 0.01 -0.02 0.02 0.00 0.00 0.00 0.01 -0.05 0.01 0.01 -0.03 0.02 0.00 0.00 0.02 0.01 -0.01 0.03 0.00 -0.00 0.02 0.02 0.02 -0.00 -0.03 0.01 -0.03 -0.02 0.00 0.01 0.00 -0.10 -0.13 -0.06 -0.01 -0.10 -0.06 -0.14 0.05 -0.03 0.07 -0.11 0.03 -0.09 -0.14 0.08 0.15 0.44 0.11 -0.27 -0.40 0.14 -0.01 0.15 -0.40 0.39 -0.02 0.02 0.00 0.01 0.01 -0.07 0.01 0.01 0.01 0.02 0.00 0.01 0.04 0.01 0.04 0.00 0.05 0.04 0.04 -0.01 0.04 0.03 -0.05 0.02 -0.02 -0.06 0.05 -0.05 -0.01 -0.02 -0.01 -0.03 -0.02 -0.02 -0.00 0.02 -0.01 0.00 0.00 0.01 -0.00 -0.02 -0.00 0.01 -0.02 0.01 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.02 0.03 0.03 0.05 0.01 -0.00 0.01 -0.00 0.01 -0.02 0.00 0.00 -0.02 0.00 -0.00 0.02 -0.00 0.00 0.00 0.00 -0.00 0.05 -0.00 -0.00 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.01 -0.02 -0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.45 0.09 0.02 0.31 -0.18 -0.27 0.26 0.22 0.48 0.16 -0.04 0.04 -0.06 -0.04 -0.12 -0.07 0.08 0.12 0.16 0.11 -0.13 -0.20 0.08 -0.07 0.03 -0.14 0.11 -0.00 0.01 -0.02 0.00 -0.00 0.06 -0.00 -0.00 -0.02 -0.01 -0.00 -0.03 -0.02 0.00 -0.03 0.00 -0.04 -0.03 -0.03 0.01 -0.03 -0.01 0.02 -0.01 0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.08 -0.02 -0.04 0.13 0.03 -0.13 0.03 0.05 0.01 -0.02 0.02 0.00 0.01 -0.18 0.19 -0.02 -0.01 0.00 -0.01 -0.02 -0.02 -0.03 -0.05 0.04 -0.09 0.05 0.07 0.02 -0.03 -0.03 -0.03 0.00 -0.03 -0.00 -0.03 0.06 -0.00 0.04 -0.03 0.04 0.04 0.00 -0.00 0.05 -0.11 0.00 0.04 -0.06 0.04 0.02 0.01 0.03 0.02 -0.00 0.08 0.05 -0.03 -0.03 0.01 0.05 -0.02 -0.04 0.03 -0.01 -0.00 -0.02 -0.42 0.06 0.08 0.03 -0.09 -0.09 0.04 0.24 0.29 -0.03 -0.01 -0.05 0.04 -0.05 0.03 0.06 -0.05 -0.08 -0.22 -0.06 0.12 0.18 -0.09 -0.03 -0.08 0.19 -0.21 0.00 -0.16 0.18 -0.01 0.05 -0.15 0.04 0.02 0.03 0.03 -0.00 0.04 -0.02 -0.07 0.08 -0.07 0.10 0.09 -0.05 -0.01 0.10 0.09 -0.14 0.09 -0.09 -0.11 0.15 -0.17 0.06 -0.02 -0.06 -0.02 0.01 0.01 -0.02 -0.01 0.03 -0.04 -0.01 -0.03 0.06 -0.02 -0.04 0.03 0.01 -0.02 0.03 -0.00 -0.02 0.02 -0.00 -0.04 0.02 0.00 0.09 -0.00 0.01 0.06 0.01 0.02 -0.00 -0.01 0.03 -0.03 0.03 0.00 -0.02 -0.02 -0.01 -0.02 -0.03 0.01 -0.02 -0.02 -0.05 -0.01 0.00 -0.03 -0.02 -0.01 0.01 -0.01 0.00 -0.00 0.00 -0.03 -0.00 0.08 0.04 0.01 0.02 -0.01 0.01 -0.03 0.04 -0.03 0.02 0.02 -0.00 0.21 -0.00 -0.09 0.15 -0.05 0.15 -0.38 0.10 -0.03 0.28 0.09 0.46 0.35 -0.16 -0.34 0.09 0.01 -0.06 -0.12 0.05 0.05 0.02 -0.12 0.12 -0.04 0.00 0.03 -0.01 -0.03 -0.07 -0.03 -0.00 0.02 -0.01 0.01 0.01 0.10 0.09 0.05 0.06 0.08 0.03 0.15 -0.02 0.00 0.02 -0.04 0.02 0.03 0.01 0.00 0.03 -0.01 0.04 -0.09 -0.03 0.00 -0.00 -0.03 -0.02 0.01 -0.05 -0.02 -0.01 0.04 0.02 -0.04 0.06 0.02 -0.00 0.02 0.02 0.01 0.01 0.01 -0.04 0.02 0.01 0.08 0.00 0.04 0.03 -0.00 -0.02 0.04 0.04 -0.01 -0.02 0.03 0.03 -0.02 -0.02 -0.01 -0.02 -0.03 -0.00 -0.02 -0.02 -0.09 -0.01 -0.00 -0.05 -0.02 -0.01 0.01 -0.01 -0.00 0.01 -0.01 -0.05 -0.01 0.08 0.04 0.02 0.03 -0.01 0.03 0.01 0.02 -0.00 0.18 -0.02 0.07 0.09 0.10 0.07 0.06 -0.07 0.02 0.50 -0.08 0.02 -0.18 -0.15 -0.42 -0.22 0.21 0.32 -0.05 -0.01 0.05 0.18 -0.03 -0.03 0.04 0.17 -0.09 -0.05 0.04 0.04 -0.02 -0.03 -0.12 -0.03 -0.00 0.04 -0.01 -0.00 0.05 0.11 0.09 0.07 0.06 0.10 0.05 0.16 -0.04 0.02 0.08 -0.03 0.05 0.00 0.03 0.06 0.03 -0.02 0.02 0.15 0.19 0.11 0.08 0.01 -0.04 0.07 0.02 -0.01 -0.06 -0.01 0.01 -0.00 0.01 -0.03 -0.06 -0.02 0.03 -0.04 -0.04 -0.01 0.00 0.04 0.06 0.04 -0.14 -0.12 0.03 -0.08 -0.03 -0.00 0.01 -0.07 -0.04 -0.01 -0.01 -0.05 -0.02 0.04 -0.04 -0.01 0.10 -0.04 -0.02 0.04 -0.04 0.01 -0.02 -0.06 0.00 0.04 -0.06 0.02 -0.08 0.03 0.01 0.03 0.03 0.06 0.02 -0.02 -0.04 0.01 -0.06 -0.03 -0.05 -0.14 0.03 -0.30 0.21 -0.35 -0.35 0.13 -0.23 0.12 0.13 -0.07 -0.06 0.01 -0.18 -0.07 0.03 -0.04 -0.02 -0.10 0.01 0.02 0.13 -0.08 -0.16 -0.01 0.18 -0.16 0.02 0.01 -0.05 -0.03 -0.02 0.06 -0.07 0.01 0.04 -0.07 0.03 -0.17 0.05 0.11 0.05 0.03 0.10 0.04 0.10 -0.00 0.02 0.02 -0.08 0.03 -0.05 -0.11 0.07 -0.12 0.02 -0.03 0.04 -0.04 -0.01 0.07 0.04 -0.03 0.07 0.04 0.00 -0.04 -0.02 -0.10 0.01 -0.08 -0.05 -0.03 -0.00 -0.04 -0.02 -0.01 -0.02 0.01 -0.01 -0.05 0.07 0.06 0.14 0.06 0.01 0.07 -0.00 0.01 -0.04 -0.03 -0.06 -0.06 -0.03 -0.02 0.02 -0.04 0.00 0.09 -0.02 -0.01 0.07 -0.03 0.00 0.01 -0.05 0.00 0.04 -0.05 0.01 -0.07 0.03 0.04 0.04 -0.00 0.02 0.01 -0.06 -0.02 -0.01 -0.03 0.00 -0.04 0.37 -0.11 0.32 -0.05 0.39 0.36 -0.05 -0.02 -0.09 0.15 -0.07 0.14 0.04 -0.03 0.03 0.06 0.14 0.12 0.12 0.07 -0.13 -0.14 0.06 -0.05 0.03 -0.10 0.07 0.06 -0.18 0.03 -0.01 -0.02 0.10 -0.05 0.00 0.03 -0.06 0.03 -0.18 -0.00 0.04 0.01 0.00 0.03 0.01 0.02 0.00 0.00 -0.04 -0.05 -0.00 -0.08 -0.13 0.04 -0.17 0.04 -0.06 0.03 -0.05 -0.03 -0.01 0.01 -0.11 -0.13 0.11 -0.13 0.10 -0.08 0.06 0.04 0.06 -0.04 0.08 0.00 -0.03 0.06 0.02 -0.01 0.06 0.00 -0.04 0.03 0.03 -0.03 -0.08 0.06 -0.04 -0.03 0.01 0.02 0.07 -0.06 0.08 0.03 -0.05 0.12 -0.04 -0.01 0.23 -0.00 -0.05 -0.08 -0.02 -0.04 -0.16 -0.05 -0.01 0.14 -0.06 -0.01 -0.13 -0.08 0.00 0.01 -0.02 -0.06 0.08 0.07 0.08 0.09 0.09 -0.00 0.05 -0.02 0.03 -0.03 0.04 -0.01 -0.05 0.05 0.07 -0.01 -0.21 0.09 -0.06 -0.06 0.18 -0.01 -0.11 -0.06 -0.07 0.00 0.04 0.01 -0.12 0.06 0.06 -0.06 -0.10 0.02 0.06 -0.07 0.08 -0.02 -0.04 -0.12 -0.04 -0.02 0.18 -0.06 0.02 -0.22 0.03 -0.19 0.16 -0.12 0.15 0.18 0.00 -0.15 0.19 0.14 -0.07 0.16 0.04 0.25 0.10 0.12 0.10 0.21 0.04 0.04 0.04 -0.01 -0.16 -0.01 -0.09 -0.04 -0.06 -0.04 0.01 -0.04 -0.02 -0.03 -0.01 -0.05 -0.01 -0.00 -0.04 -0.04 -0.02 -0.02 0.01 0.00 0.01 -0.00 0.05 0.03 -0.04 0.04 -0.03 0.00 -0.08 -0.03 0.01 -0.04 -0.01 0.03 -0.01 0.04 -0.01 0.01 0.03 0.08 0.03 0.03 0.12 0.01 0.04 0.08 0.01 0.07 0.10 -0.03 -0.01 -0.10 -0.03 -0.15 0.05 0.01 0.22 -0.05 0.10 -0.06 -0.04 -0.05 0.11 -0.05 0.10 -0.03 0.10 0.12 -0.04 -0.05 -0.02 0.05 -0.08 0.07 0.05 -0.08 0.08 0.09 0.03 0.03 0.03 0.08 -0.10 -0.11 0.01 -0.14 -0.02 -0.02 -0.04 -0.02 -0.01 -0.03 0.08 0.05 0.05 -0.02 0.12 0.01 0.07 0.09 -0.07 -0.17 -0.12 -0.03 -0.18 0.03 0.01 -0.29 0.15 0.06 0.26 -0.11 0.13 0.21 0.20 0.06 0.38 -0.13 0.23 -0.02 -0.04 -0.08 0.03 -0.04 -0.02 0.02 -0.03 -0.01 -0.03 0.02 -0.10 0.02 -0.03 -0.04 0.01 0.01 -0.01 0.03 0.08 0.07 0.03 -0.04 -0.02 -0.07 0.01 -0.08 0.04 0.06 0.02 0.13 -0.07 0.22 -0.02 0.01 -0.09 -0.03 0.00 -0.01 -0.03 -0.01 0.04 -0.03 0.01 0.07 -0.04 0.04 0.02 -0.03 0.03 0.04 -0.05 0.04 -0.05 0.00 -0.03 0.01 -0.04 0.06 0.00 0.04 -0.04 0.02 0.03 0.10 0.07 -0.22 0.06 -0.11 -0.04 -0.13 -0.15 -0.01 0.10 0.01 0.11 0.07 0.01 -0.00 0.03 -0.05 -0.01 0.07 0.07 -0.05 -0.36 0.24 0.41 -0.12 0.38 0.14 0.09 0.16 0.04 -0.01 -0.09 -0.02 -0.00 0.11 -0.05 0.04 0.05 -0.05 0.04 -0.14 -0.04 0.08 -0.00 -0.02 0.05 -0.01 -0.03 0.06 -0.00 0.07 -0.06 0.04 0.03 -0.01 0.04 0.05 -0.04 0.03 -0.01 0.03 0.02 -0.01 -0.01 0.02 -0.19 0.20 -0.03 -0.05 0.11 -0.10 -0.03 -0.02 0.01 -0.05 0.01 -0.01 -0.06 -0.06 0.01 -0.03 0.01 0.01 -0.09 0.02 -0.02 0.08 -0.07 0.12 0.00 -0.07 -0.00 -0.02 0.07 -0.07 0.03 0.04 -0.02 0.08 0.04 0.02 -0.00 -0.03 0.03 0.01 -0.13 0.01 0.08 -0.08 0.00 0.01 -0.13 -0.04 0.00 0.07 0.00 0.17 -0.08 -0.02 0.07 0.04 0.04 -0.09 -0.06 -0.03 -0.12 0.02 -0.02 -0.14 -0.03 0.01 -0.10 0.08 -0.06 0.19 -0.16 0.21 0.08 -0.16 0.14 0.15 0.12 0.15 -0.05 -0.13 0.02 0.10 -0.12 -0.01 0.01 0.02 -0.03 -0.04 0.02 -0.02 -0.07 0.02 0.05 0.17 -0.14 -0.01 0.01 -0.16 -0.10 0.18 0.11 0.01 0.21 -0.07 -0.03 0.31 -0.16 -0.07 0.06 0.02 0.05 0.08 0.13 0.00 0.15 0.01 0.11 -0.06 0.02 0.03 -0.00 0.05 0.00 -0.03 0.07 -0.01 -0.12 -0.05 -0.01 -0.07 -0.03 -0.06 -0.11 0.01 0.05 -0.08 0.10 0.05 -0.08 -0.01 0.02 0.06 -0.08 0.03 -0.00 0.03 -0.10 0.09 0.07 0.07 -0.05 -0.09 -0.04 0.02 -0.05 -0.01 0.02 -0.01 0.02 0.16 0.01 -0.00 0.17 -0.01 -0.03 0.04 -0.01 0.03 0.14 0.02 -0.04 -0.00 0.04 0.01 -0.03 -0.14 0.00 -0.04 0.04 -0.01 -0.10 0.14 -0.00 0.13 -0.06 0.01 0.19 0.00 -0.05 0.08 -0.25 0.14 0.06 0.14 -0.21 -0.02 -0.10 -0.10 0.01 -0.04 -0.14 0.11 -0.04 -0.01 0.18 0.03 0.06 0.17 0.17 0.18 -0.04 -0.05 -0.07 0.21 -0.03 0.01 0.01 0.01 0.06 0.15 0.10 -0.07 -0.04 -0.37 -0.03 -0.09 -0.15 0.02 -0.21 -0.02 0.06 -0.05 0.04 -0.01 -0.04 0.00 -0.00 -0.07 0.05 -0.03 -0.01 0.01 0.03 -0.04 0.06 -0.02 0.07 -0.10 0.00 0.00 0.08 -0.03 -0.02 0.07 -0.01 -0.01 0.05 -0.05 -0.02 -0.07 -0.04 -0.02 0.06 -0.02 -0.04 0.07 -0.09 0.07 -0.03 0.16 -0.03 -0.13 -0.01 0.02 0.00 0.04 0.03 -0.05 0.05 -0.02 -0.03 0.03 0.09 -0.01 -0.04 0.09 0.02 -0.07 -0.01 0.02 0.05 0.07 0.05 -0.01 -0.04 -0.03 -0.01 -0.06 -0.07 0.02 -0.09 0.05 -0.04 -0.03 -0.09 -0.05 -0.11 0.10 -0.12 -0.05 -0.02 -0.11 -0.02 0.12 -0.07 0.17 -0.21 0.33 0.07 -0.04 0.15 0.11 0.23 0.24 -0.14 -0.21 0.05 0.06 -0.14 0.08 -0.07 -0.10 -0.09 0.02 -0.15 0.19 0.14 -0.04 -0.05 -0.05 0.05 0.09 0.08 0.11 0.01 -0.04 -0.27 0.02 -0.13 -0.01 0.06 -0.18 -0.00 0.09 -0.09 0.06 -0.04 -0.09 -0.00 -0.03 -0.12 0.07 -0.06 -0.03 -0.02 -0.03 -0.06 0.02 -0.01 0.03 -0.10 0.01 0.01 0.07 -0.02 0.04 -0.00 0.05 0.03 -0.02 0.04 -0.02 -0.03 0.08 0.03 -0.02 0.03 -0.04 -0.01 0.03 -0.02 -0.10 -0.04 0.01 0.09 -0.03 0.01 0.09 -0.05 0.01 0.02 -0.07 0.03 -0.01 -0.04 0.01 0.00 0.12 -0.01 -0.00 -0.11 0.06 -0.01 0.21 0.01 -0.01 -0.12 -0.02 -0.04 -0.05 0.01 0.00 0.01 -0.05 0.04 -0.02 -0.01 -0.03 0.09 -0.04 -0.01 0.03 -0.14 -0.04 0.10 -0.08 0.05 -0.07 -0.05 0.02 -0.15 -0.01 -0.16 0.00 0.01 -0.21 -0.12 0.10 0.23 -0.04 -0.07 0.05 -0.21 0.04 0.12 0.02 -0.02 0.23 -0.15 0.02 0.00 0.34 0.08 -0.02 0.47 0.00 -0.03 -0.19 0.05 -0.03 0.07 -0.04 0.13 0.07 0.06 -0.07 0.06 -0.06 0.06 -0.03 -0.05 0.04 -0.02 -0.05 0.03 -0.03 0.01 0.04 0.06 -0.02 -0.00 0.01 -0.01 -0.01 0.02 -0.00 -0.08 0.06 -0.05 -0.06 0.03 -0.03 -0.02 -0.02 0.08 0.04 -0.14 -0.05 -0.01 0.02 0.04 -0.03 0.02 0.01 0.17 -0.00 -0.04 -0.11 -0.01 -0.02 -0.01 -0.00 -0.01 0.03 -0.06 0.03 0.01 -0.09 -0.01 0.02 0.07 -0.02 0.00 -0.07 0.06 -0.02 0.10 0.01 -0.03 -0.05 0.02 0.00 -0.04 0.02 0.02 0.00 -0.01 0.00 -0.01 0.06 0.05 -0.17 0.04 -0.06 0.05 0.15 0.05 -0.05 0.08 -0.09 0.12 -0.03 0.02 0.15 -0.01 0.37 -0.06 -0.08 0.26 0.12 -0.17 -0.25 0.03 -0.00 -0.02 0.26 -0.13 -0.25 -0.12 -0.11 0.18 -0.17 -0.00 0.02 0.24 0.09 -0.03 0.28 0.01 -0.06 -0.03 0.04 0.03 0.04 -0.01 0.10 0.04 0.07 -0.04 0.02 -0.02 0.02 -0.01 0.00 0.01 -0.01 0.01 -0.01 -0.01 0.01 0.00 0.02 -0.01 0.01 -0.03 0.01 -0.03 -0.01 0.01 0.04 -0.03 -0.00 -0.05 0.05 0.01 -0.02 0.00 0.03 -0.00 -0.02 -0.00 -0.03 0.02 -0.01 -0.01 0.02 0.00 0.02 -0.01 -0.01 -0.01 -0.01 -0.01 0.07 -0.05 0.01 -0.01 0.04 -0.01 -0.02 0.10 0.02 -0.01 -0.05 0.03 -0.01 0.05 -0.02 0.00 -0.04 0.01 0.01 -0.00 -0.02 -0.02 0.02 0.01 -0.03 -0.00 -0.02 0.02 -0.00 0.02 0.00 -0.03 -0.03 -0.05 0.07 -0.04 0.01 0.05 -0.01 0.04 0.00 -0.03 0.01 0.01 -0.00 0.07 -0.02 -0.02 0.01 0.01 -0.02 -0.01 0.01 -0.02 0.01 0.02 -0.03 -0.05 -0.04 -0.20 0.68 -0.57 0.01 -0.01 -0.18 -0.04 0.02 -0.17 0.01 0.04 -0.08 -0.01 -0.04 -0.03 0.02 -0.09 -0.03 -0.03 0.02 -0.02 -0.02 -0.00 0.01 -0.03 0.02 0.01 -0.04 0.04 0.01 0.09 0.06 0.01 -0.08 0.02 -0.03 0.01 -0.11 0.00 0.04 0.02 -0.09 -0.10 -0.03 -0.07 -0.03 -0.09 -0.04 -0.03 0.04 0.01 -0.05 -0.08 -0.04 -0.04 -0.08 0.07 0.00 0.03 -0.03 0.02 0.03 0.05 -0.00 0.02 0.02 0.06 0.07 0.23 0.13 0.01 0.09 -0.06 0.06 -0.04 -0.08 0.02 -0.07 0.17 -0.02 -0.05 0.06 -0.08 0.04 -0.03 -0.05 -0.05 -0.00 0.09 0.01 -0.07 0.08 -0.02 -0.02 0.06 0.02 -0.09 -0.18 0.19 -0.04 0.01 0.10 -0.03 0.00 0.08 0.01 0.07 -0.07 -0.00 -0.00 -0.03 -0.00 -0.01 -0.04 0.05 -0.05 -0.02 0.06 0.03 0.07 0.07 0.05 0.11 -0.10 -0.36 0.27 -0.12 0.09 -0.22 0.21 -0.06 -0.21 0.06 -0.23 0.07 0.03 0.16 0.07 -0.02 0.21 0.05 0.12 -0.03 0.03 -0.06 0.09 -0.02 -0.07 0.09 -0.02 -0.05 0.06 -0.04 0.03 -0.05 0.01 0.01 0.00 0.01 -0.02 0.02 0.02 0.01 -0.08 0.04 0.01 -0.06 0.01 -0.03 0.07 -0.05 -0.14 0.02 0.03 0.00 0.03 -0.07 0.05 0.11 -0.08 0.00 -0.06 0.03 0.01 0.01 0.02 0.01 -0.08 0.06 0.01 -0.02 0.09 0.02 -0.00 -0.06 -0.02 -0.01 0.02 -0.05 0.02 -0.10 0.03 -0.01 -0.02 0.00 -0.02 0.05 0.04 0.01 -0.04 -0.03 0.06 0.00 -0.00 0.00 0.00 -0.12 -0.00 0.06 0.09 0.12 -0.10 0.09 0.13 -0.11 0.05 0.03 -0.05 0.12 -0.05 0.02 0.02 -0.26 0.10 0.12 0.06 -0.02 0.06 -0.06 -0.07 0.09 -0.04 -0.04 0.11 0.14 0.14 -0.13 0.49 -0.47 -0.01 -0.02 0.08 0.04 -0.02 0.02 0.01 -0.07 0.20 0.01 0.04 0.05 -0.07 0.19 0.06 0.03 -0.01 0.05 -0.01 0.01 -0.01 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.05 -0.05 -0.03 -0.05 0.02 -0.03 -0.00 -0.06 -0.02 -0.05 -0.11 0.12 0.08 -0.01 0.02 -0.04 0.08 0.04 -0.08 0.01 -0.02 0.04 0.05 0.01 0.04 0.06 -0.05 -0.00 -0.01 0.01 -0.01 -0.03 -0.03 0.00 -0.03 -0.03 0.01 0.03 -0.11 0.10 -0.01 0.14 -0.05 0.02 -0.06 -0.03 0.02 0.23 0.14 -0.02 0.05 0.05 -0.05 -0.12 -0.03 -0.05 0.01 -0.03 0.08 0.02 -0.06 0.07 -0.01 -0.09 0.00 -0.04 0.13 0.15 -0.16 0.11 0.02 -0.12 0.03 -0.12 -0.00 0.06 -0.05 0.05 0.01 -0.09 0.05 0.07 0.10 -0.00 -0.01 -0.07 -0.06 0.03 -0.05 -0.03 0.02 0.02 0.01 0.18 -0.11 0.05 -0.08 0.04 -0.24 0.16 -0.03 -0.11 0.01 -0.16 -0.48 -0.09 0.27 -0.07 0.11 -0.13 -0.10 -0.02 0.15 -0.10 -0.05 0.06 -0.01 -0.06 0.07 -0.01 -0.06 0.07 -0.02 -0.08 0.10 0.15 -0.01 -0.00 -0.01 -0.00 -0.01 0.00 0.06 -0.13 -0.09 -0.15 -0.11 -0.04 0.10 0.02 -0.06 0.22 -0.09 0.10 -0.15 0.07 0.02 0.07 0.19 -0.11 -0.02 -0.11 0.04 0.04 0.07 0.07 -0.04 -0.06 -0.06 -0.03 0.02 -0.03 0.01 0.00 0.01 -0.00 0.03 -0.02 0.01 0.00 0.04 0.02 -0.03 0.02 0.03 -0.02 -0.03 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.01 0.01 -0.00 0.26 -0.11 0.17 0.02 0.16 -0.08 0.01 0.16 -0.07 0.06 0.28 -0.15 -0.13 -0.02 -0.04 -0.04 0.07 -0.05 -0.16 -0.34 0.07 0.03 0.32 0.22 -0.11 0.10 -0.03 -0.06 -0.01 -0.08 -0.10 -0.13 -0.07 0.00 0.03 -0.05 0.02 -0.03 0.01 0.02 -0.02 -0.10 -0.01 0.05 -0.01 0.03 -0.04 -0.02 0.01 0.02 -0.02 -0.00 0.00 -0.00 -0.01 0.02 -0.00 -0.00 0.01 0.00 -0.09 -0.01 -0.01 0.05 0.07 0.04 -0.09 0.09 -0.03 -0.10 0.06 -0.07 0.08 0.03 -0.02 0.02 0.02 0.08 0.14 -0.04 -0.00 0.05 0.05 0.08 -0.01 -0.04 0.02 0.01 0.01 -0.01 -0.00 -0.02 -0.03 -0.03 -0.05 -0.06 -0.01 -0.18 0.05 0.05 -0.16 -0.00 -0.02 -0.16 0.04 -0.04 0.10 -0.07 0.08 -0.07 -0.06 0.12 -0.04 0.05 0.05 -0.01 0.02 -0.11 0.21 0.00 -0.04 0.05 -0.01 0.10 -0.03 -0.07 -0.00 0.03 -0.06 -0.06 -0.12 0.03 -0.03 -0.05 -0.02 -0.09 0.00 0.01 -0.01 0.19 -0.08 -0.11 -0.10 0.06 -0.06 0.13 0.10 -0.11 0.02 -0.03 -0.12 -0.13 -0.19 0.22 0.03 -0.12 0.12 -0.26 0.04 0.00 -0.03 -0.07 0.12 -0.16 0.15 -0.08 0.13 0.04 -0.17 0.31 0.05 -0.11 0.18 0.06 -0.10 0.07 -0.03 -0.01 -0.08 -0.02 -0.10 0.09 -0.04 -0.10 -0.04 -0.03 -0.05 -0.05 -0.03 0.05 -0.06 0.03 -0.12 -0.08 -0.01 0.13 -0.03 -0.03 -0.02 0.08 0.12 0.06 -0.02 -0.01 0.09 0.07 0.09 0.01 0.03 -0.01 0.01 0.00 -0.00 -0.01 -0.04 -0.04 -0.06 -0.03 -0.15 -0.01 0.13 0.13 -0.01 0.10 0.10 0.02 0.17 0.07 -0.00 -0.04 -0.16 -0.02 -0.00 -0.08 -0.01 -0.03 0.10 -0.03 0.01 -0.03 0.06 -0.09 -0.02 0.01 -0.02 0.00 0.01 -0.01 -0.09 0.11 0.18 -0.19 0.03 -0.08 -0.07 -0.01 -0.15 -0.01 -0.04 -0.02 0.03 -0.00 0.10 -0.03 -0.05 -0.03 0.04 -0.05 0.07 0.05 -0.08 -0.01 -0.06 -0.08 -0.09 -0.15 0.38 -0.10 -0.15 -0.07 0.23 0.05 0.03 -0.04 -0.26 0.00 0.01 0.24 0.12 -0.12 0.07 -0.01 0.12 0.07 0.15 -0.22 0.05 0.05 -0.03 0.02 -0.01 0.09 0.01 0.07 -0.05 0.02 -0.15 0.05 0.08 -0.00 -0.00 -0.00 0.02 -0.01 0.00 0.05 -0.04 -0.06 0.02 -0.04 -0.06 -0.01 0.02 0.04 -0.04 0.01 -0.01 -0.06 0.05 0.11 -0.01 -0.03 0.02 0.00 0.02 -0.01 -0.01 -0.02 -0.02 0.11 -0.05 -0.10 0.24 -0.10 0.02 0.15 0.08 -0.03 -0.06 -0.29 -0.00 -0.09 -0.06 -0.01 0.16 0.39 0.00 -0.25 0.16 0.03 -0.01 0.01 -0.01 0.00 -0.10 -0.00 0.00 0.00 -0.00 -0.06 0.02 -0.03 -0.01 -0.01 -0.00 -0.03 -0.06 0.02 -0.02 -0.05 0.02 0.03 0.01 0.00 0.01 -0.03 0.02 0.04 0.07 -0.02 -0.00 -0.06 -0.05 0.01 -0.03 -0.01 0.01 0.00 0.01 0.13 -0.05 -0.13 -0.17 -0.22 -0.06 0.26 0.33 -0.01 -0.26 -0.01 0.04 -0.00 -0.16 -0.01 -0.02 -0.10 0.01 -0.03 -0.09 0.02 0.01 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.01 0.00 -0.00 0.05 0.01 0.04 0.03 -0.04 0.00 0.01 -0.08 0.10 -0.10 0.10 -0.04 -0.02 0.04 0.03 -0.03 -0.04 -0.09 0.03 -0.01 -0.03 -0.10 0.07 0.03 0.07 -0.04 -0.01 0.01 -0.00 -0.02 -0.00 -0.01 -0.00 0.20 -0.15 -0.01 -0.01 -0.19 0.01 -0.06 0.14 0.01 -0.05 0.11 -0.00 0.01 -0.14 0.01 -0.00 -0.14 0.05 -0.01 0.11 -0.10 -0.08 0.22 -0.01 0.01 -0.02 -0.02 0.03 -0.01 -0.05 0.01 0.06 0.00 0.00 0.04 0.03 0.12 -0.01 0.05 0.14 -0.03 0.06 -0.01 0.01 0.01 -0.13 0.06 0.09 0.11 -0.06 0.03 -0.12 -0.11 0.06 -0.03 -0.00 0.07 0.07 0.11 -0.09 -0.17 0.24 0.08 -0.08 0.43 -0.02 0.02 -0.15 0.07 -0.04 0.35 0.04 -0.08 0.04 -0.08 0.16 0.05 0.02 -0.05 0.04 -0.02 -0.02 0.01 -0.03 -0.02 0.02 -0.08 0.08 -0.01 -0.15 0.10 0.05 -0.00 -0.00 0.03 -0.01 0.01 0.03 0.17 -0.10 -0.13 0.05 0.06 -0.03 0.10 -0.06 -0.03 -0.16 0.06 -0.02 0.04 -0.06 0.29 0.03 0.01 -0.01 -0.01 0.06 -0.03 -0.04 -0.05 -0.06 0.03 -0.02 -0.05 -0.00 0.00 0.08 -0.07 -0.01 -0.05 0.04 0.05 -0.04 0.02 0.01 0.04 -0.10 -0.13 0.05 0.02 -0.04 -0.04 0.04 0.03 -0.09 -0.02 0.06 0.01 0.01 -0.02 0.00 -0.11 0.02 0.07 -0.10 -0.12 0.14 -0.10 0.02 0.11 0.03 0.25 -0.09 0.12 0.03 -0.01 0.03 -0.18 0.09 0.17 0.23 -0.12 0.03 -0.23 -0.23 0.09 -0.10 -0.05 0.10 0.07 0.14 0.30 -0.04 -0.11 0.03 0.05 -0.19 -0.11 -0.12 0.04 0.01 0.05 -0.13 -0.03 0.08 -0.00 -0.01 0.03 -0.01 -0.04 0.08 -0.00 0.00 0.01 -0.01 0.02 -0.02 -0.01 0.03 -0.04 -0.00 -0.10 -0.02 0.12 -0.03 -0.03 -0.07 0.06 -0.00 -0.03 0.09 0.04 -0.16 0.07 0.02 0.01 0.03 -0.03 -0.05 -0.03 0.00 0.00 -0.06 0.29 -0.11 -0.06 -0.18 0.07 0.00 0.03 -0.01 -0.00 0.02 0.02 0.11 -0.21 0.16 0.03 0.06 -0.21 -0.01 0.06 0.08 0.04 0.09 0.03 -0.02 -0.01 -0.02 -0.00 -0.07 -0.06 0.00 -0.08 0.03 -0.11 -0.01 0.16 -0.03 0.06 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.05 -0.13 -0.18 0.08 -0.11 -0.22 0.10 -0.07 -0.10 0.03 0.04 0.04 -0.02 0.01 -0.02 0.01 0.03 0.06 -0.02 0.02 -0.07 -0.05 0.05 0.00 0.04 0.04 0.05 0.09 0.15 0.21 -0.25 0.04 0.10 0.40 0.08 -0.12 -0.03 0.01 -0.10 0.16 -0.03 0.14 0.01 0.00 0.08 -0.00 0.03 0.02 -0.02 0.06 -0.05 0.03 -0.04 0.09 0.03 0.01 0.00 0.03 -0.03 -0.05 0.09 0.04 0.03 0.07 -0.06 -0.00 0.02 0.12 -0.13 0.05 0.07 -0.09 0.14 0.01 -0.02 -0.06 -0.03 -0.00 -0.01 -0.06 0.35 -0.25 -0.06 -0.14 0.06 -0.00 0.01 0.00 -0.00 0.04 0.04 -0.04 0.26 -0.23 -0.01 -0.03 0.12 -0.03 -0.06 -0.02 0.00 -0.04 0.00 0.03 0.01 -0.01 -0.07 -0.04 0.03 0.01 0.03 0.00 0.09 -0.00 -0.14 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 0.00 0.08 -0.04 -0.08 -0.02 -0.03 -0.20 0.01 -0.06 -0.22 0.06 0.03 0.02 -0.01 0.00 -0.04 0.02 0.03 0.05 -0.01 0.03 -0.07 -0.05 0.07 0.02 0.07 0.06 0.08 0.14 0.19 -0.24 0.21 0.00 -0.06 -0.29 -0.16 0.01 -0.09 -0.00 0.12 -0.14 0.02 -0.09 0.02 -0.05 0.04 0.02 -0.04 0.01 0.03 -0.06 0.05 -0.03 0.04 -0.11 -0.03 -0.03 0.01 -0.03 -0.01 -0.01 -0.00 0.06 0.04 -0.03 0.01 0.01 -0.09 0.00 -0.03 -0.02 0.02 -0.02 0.00 -0.01 0.01 0.02 -0.00 -0.00 0.00 0.02 0.03 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.03 0.03 -0.05 0.01 0.03 0.18 -0.01 -0.02 -0.20 -0.02 0.05 -0.04 -0.01 -0.00 0.07 0.03 0.00 -0.02 0.02 -0.00 -0.12 -0.14 -0.08 0.25 0.01 -0.02 0.02 0.01 -0.01 -0.00 -0.01 0.00 -0.01 0.02 0.04 -0.05 -0.00 -0.04 -0.01 -0.02 -0.06 0.00 0.00 0.01 -0.00 0.00 0.01 -0.01 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.02 -0.01 -0.01 -0.02 0.07 -0.00 -0.05 -0.07 0.08 -0.22 0.05 0.01 0.69 0.07 -0.06 0.40 -0.03 0.09 -0.05 0.09 -0.16 -0.05 0.02 0.02 -0.06 0.00 -0.05 0.01 0.00 -0.07 0.02 -0.06 0.05 -0.00 0.00 -0.00 0.00 -0.16 -0.13 -0.13 0.17 0.09 0.10 0.02 0.03 0.08 -0.04 -0.07 -0.03 -0.04 0.05 0.07 0.01 -0.00 0.00 -0.05 -0.04 -0.04 -0.01 0.02 0.02 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.09 0.09 -0.11 0.15 -0.06 0.04 -0.04 0.08 -0.06 0.10 -0.11 -0.01 0.04 -0.02 0.02 -0.06 -0.12 0.01 -0.02 -0.08 -0.01 -0.07 0.18 0.07 -0.07 0.16 0.00 0.00 -0.04 -0.01 -0.03 0.00 -0.06 0.06 0.13 -0.11 0.02 -0.06 -0.04 -0.03 -0.13 0.03 -0.01 -0.00 0.00 -0.00 0.02 -0.01 -0.01 -0.01 0.01 -0.02 0.04 0.04 -0.03 0.00 -0.02 -0.03 -0.02 -0.05 -0.18 -0.06 0.07 0.10 -0.12 -0.19 0.07 -0.21 0.07 -0.02 -0.03 -0.03 -0.07 0.08 0.01 -0.12 0.17 0.02 -0.14 0.20 0.04 0.22 -0.12 0.08 -0.11 0.40 0.04 0.22 -0.17 0.10 0.01 -0.00 -0.00 -0.11 -0.09 -0.07 0.08 0.06 0.08 -0.04 -0.06 -0.02 0.05 0.08 0.08 0.03 -0.07 -0.12 0.00 0.00 -0.02 0.05 0.04 0.03 0.01 -0.02 -0.04 -0.01 -0.03 0.01 0.00 0.03 0.02 -0.12 0.01 0.02 -0.12 -0.05 0.02 0.02 -0.02 0.06 -0.10 -0.07 -0.01 -0.01 0.03 0.02 0.08 0.07 -0.06 0.10 0.04 -0.07 0.04 0.10 -0.03 0.03 -0.06 0.01 -0.03 0.02 -0.01 0.05 -0.01 0.06 -0.08 -0.22 0.19 0.02 0.16 0.02 0.05 0.15 -0.00 -0.02 -0.04 0.02 -0.00 -0.01 0.01 -0.00 -0.02 0.01 0.02 -0.05 -0.03 0.04 0.04 0.08 0.03 0.02 0.07 0.18 0.04 0.02 0.00 -0.14 0.14 0.02 0.12 0.35 0.15 -0.07 0.46 -0.01 -0.04 -0.05 0.08 -0.19 -0.05 0.01 -0.01 -0.05 0.10 -0.02 0.04 -0.09 0.29 0.01 0.12 -0.08 0.06 0.00 -0.00 0.00 0.01 0.00 0.03 -0.03 -0.03 0.01 0.02 0.02 0.01 -0.03 -0.04 -0.03 0.00 0.03 0.06 -0.01 -0.00 0.02 -0.02 -0.01 -0.02 0.00 0.01 0.02 0.01 0.03 -0.01 -0.01 -0.03 -0.02 0.05 0.00 -0.01 0.03 0.01 -0.02 0.01 -0.00 0.12 0.02 0.01 -0.03 0.01 -0.00 0.03 -0.04 -0.02 -0.08 -0.05 -0.00 -0.09 0.06 -0.01 -0.11 -0.01 0.02 0.03 -0.01 0.02 0.00 -0.02 0.00 0.00 0.03 0.12 -0.11 -0.03 -0.10 0.00 -0.03 -0.05 -0.02 0.02 0.05 -0.03 0.00 0.00 -0.01 0.01 0.02 -0.01 -0.00 0.01 -0.00 -0.02 -0.05 -0.07 -0.01 0.00 -0.03 -0.08 -0.04 0.01 0.04 0.01 0.22 0.00 -0.04 0.47 0.02 -0.01 0.72 -0.07 0.08 -0.07 0.06 -0.15 -0.06 -0.06 0.12 -0.06 -0.04 0.04 -0.01 0.01 -0.04 -0.01 -0.02 0.02 -0.02 0.03 -0.02 -0.00 -0.02 -0.02 -0.02 0.02 0.02 0.01 0.00 -0.01 -0.03 -0.06 -0.03 0.00 0.10 -0.01 0.10 -0.04 -0.03 0.14 -0.01 0.03 -0.06 0.05 0.03 0.03 0.04 0.17 -0.03 -0.05 -0.14 -0.08 -0.04 -0.01 0.02 -0.07 -0.01 0.00 -0.00 -0.02 -0.02 -0.06 -0.02 -0.00 -0.01 0.02 -0.01 0.03 0.03 0.02 0.07 0.02 0.02 0.00 0.02 0.02 0.02 -0.04 -0.01 -0.01 0.00 -0.00 0.03 -0.01 0.24 -0.02 0.24 -0.21 -0.17 -0.31 0.10 -0.03 0.12 -0.18 0.13 0.31 -0.18 0.02 0.01 -0.06 0.06 0.08 -0.09 0.06 -0.01 -0.12 -0.01 -0.28 -0.39 0.04 0.09 -0.01 -0.11 -0.02 0.03 -0.02 -0.04 0.03 -0.04 0.08 -0.11 0.05 -0.00 -0.17 0.03 -0.04 0.01 0.02 -0.02 0.00 0.04 -0.07 0.00 0.03 -0.01 0.01 -0.03 0.07 0.00 0.02 -0.02 0.01 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.01 0.00 0.07 -0.03 -0.05 -0.01 -0.01 -0.01 -0.02 0.04 0.05 -0.00 0.02 -0.03 0.01 -0.01 0.01 -0.02 0.01 0.04 -0.01 -0.03 0.00 0.02 0.02 0.01 0.00 0.02 -0.01 -0.02 -0.00 0.06 -0.01 -0.02 -0.02 -0.05 0.00 -0.14 -0.01 0.02 0.01 0.00 0.00 0.04 0.04 0.01 0.01 -0.00 0.00 0.01 0.01 -0.02 0.02 -0.00 0.00 -0.00 -0.06 -0.01 -0.13 0.08 0.13 -0.11 0.02 -0.09 -0.03 -0.05 -0.18 0.04 -0.01 -0.07 0.04 -0.00 -0.03 0.03 0.01 0.02 0.01 -0.04 0.02 0.06 -0.03 0.08 0.10 -0.04 -0.07 -0.06 -0.02 -0.01 0.00 0.11 -0.06 0.82 -0.06 0.03 -0.25 0.03 0.01 -0.10 -0.04 0.06 -0.05 0.09 -0.15 -0.05 0.01 0.03 -0.07 0.01 -0.00 0.00 -0.01 0.02 0.00 0.01 -0.00 0.01 -0.01 0.00 0.01 0.01 0.02 0.01 -0.01 -0.02 -0.01 -0.12 0.02 0.08 0.03 0.00 0.01 0.01 -0.07 -0.08 0.02 -0.03 0.06 -0.00 0.03 -0.01 0.02 -0.01 -0.07 0.03 0.05 -0.00 -0.04 -0.04 -0.01 -0.03 0.01 -0.04 0.06 -0.01 0.06 0.01 0.04 -0.01 0.07 0.01 -0.10 0.03 -0.03 0.01 0.01 -0.01 0.03 -0.09 -0.04 -0.00 -0.03 -0.01 0.01 -0.01 0.05 0.02 0.02 -0.02 0.00 0.12 0.06 0.21 -0.11 -0.25 0.22 0.01 0.22 0.02 0.08 0.25 -0.02 -0.01 0.11 -0.06 0.01 0.11 -0.07 -0.04 -0.07 0.02 0.08 -0.01 -0.09 0.05 -0.16 -0.20 0.07 0.14 0.11 0.08 -0.01 -0.01 0.16 -0.02 0.54 0.12 -0.09 -0.19 -0.08 -0.04 0.05 -0.06 0.05 -0.04 0.01 -0.06 -0.03 -0.09 0.15 -0.03 -0.01 -0.01 -0.01 0.02 -0.06 0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.07 0.05 0.07 0.01 -0.05 -0.05 0.10 -0.02 0.02 -0.01 0.04 -0.04 -0.03 0.01 -0.02 0.06 -0.02 -0.00 -0.05 0.00 0.04 0.04 0.05 -0.04 0.01 -0.00 -0.01 -0.00 -0.00 0.02 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.06 -0.26 -0.04 -0.14 -0.02 0.01 -0.17 -0.19 0.15 0.04 0.31 -0.17 0.17 0.15 -0.13 -0.06 -0.39 0.08 0.12 -0.00 -0.13 -0.13 -0.17 0.00 -0.02 0.24 0.39 -0.09 -0.28 -0.12 0.06 -0.07 -0.08 -0.01 0.00 0.06 -0.01 0.01 -0.02 0.02 -0.00 0.01 -0.00 0.02 -0.00 0.02 -0.02 -0.01 0.01 -0.01 -0.01 0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.03 -0.04 -0.05 -0.00 0.05 0.05 -0.07 0.01 -0.04 0.03 0.02 0.09 0.02 0.00 0.01 -0.06 0.01 -0.02 -0.01 0.06 0.07 0.04 -0.05 -0.06 -0.02 0.01 -0.00 0.01 -0.00 -0.01 0.01 0.01 0.00 0.02 -0.01 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.03 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.00 -0.01 0.00 -0.06 -0.26 0.01 0.09 -0.08 0.07 0.16 0.24 -0.13 -0.00 -0.21 0.16 0.21 0.39 -0.29 -0.08 -0.35 -0.02 0.05 -0.20 -0.11 -0.10 0.02 0.10 -0.10 0.07 0.09 -0.13 -0.28 -0.26 -0.05 0.06 0.08 0.03 -0.01 -0.03 0.04 -0.03 0.00 -0.03 -0.01 0.02 -0.00 -0.02 -0.00 -0.02 0.01 0.00 -0.03 0.03 0.01 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.01 -0.02 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.04 0.05 0.05 -0.04 -0.06 -0.02 0.02 -0.04 -0.01 -0.09 0.01 -0.04 -0.02 0.01 -0.03 -0.02 -0.02 -0.03 0.08 -0.07 0.05 -0.03 0.09 0.04 0.02 0.01 -0.00 0.00 0.00 -0.01 -0.01 0.00 -0.04 -0.00 0.00 -0.02 0.01 0.00 -0.01 -0.00 -0.00 0.06 0.02 0.00 -0.00 0.01 -0.00 -0.00 -0.03 -0.00 0.00 -0.01 0.00 -0.05 -0.28 0.00 -0.00 -0.15 0.12 0.07 0.18 -0.04 0.02 -0.03 0.09 0.13 -0.06 0.06 0.05 -0.10 0.12 0.20 0.40 -0.15 0.04 0.43 0.34 -0.16 -0.06 -0.23 -0.08 0.05 -0.16 0.14 -0.06 -0.12 -0.06 0.01 0.03 -0.09 0.05 0.03 0.06 0.03 -0.03 -0.00 0.05 0.01 0.04 -0.01 -0.00 0.06 -0.07 -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.03 -0.01 -0.01 0.05 -0.17 -0.02 -0.01 0.03 -0.00 -0.04 -0.06 -0.05 -0.05 0.06 0.08 0.04 -0.01 0.02 -0.03 -0.05 -0.04 0.05 0.02 -0.00 0.04 -0.00 0.01 -0.04 0.03 -0.06 0.05 0.03 0.06 -0.07 -0.02 -0.02 -0.00 -0.00 0.01 0.07 -0.04 -0.04 0.10 0.06 -0.02 0.04 -0.02 -0.00 -0.01 0.00 -0.01 -0.18 -0.02 0.03 0.11 -0.08 0.06 0.02 0.04 -0.00 -0.11 0.20 -0.01 -0.08 -0.20 -0.09 -0.05 0.06 -0.06 -0.10 -0.16 0.08 0.00 0.12 -0.11 0.08 -0.14 0.10 0.05 -0.08 0.12 0.16 0.35 -0.11 -0.01 0.22 0.22 -0.10 0.06 0.01 -0.07 -0.03 -0.11 -0.13 0.05 0.15 0.14 0.04 0.01 0.13 -0.09 0.06 -0.20 0.02 -0.10 0.01 -0.15 -0.02 -0.09 0.00 0.01 -0.16 0.17 0.04 -0.06 0.13 0.01 -0.10 0.16 -0.02 -0.04 0.12 -0.01 0.04 -0.01 -0.02 -0.03 0.15 0.02 0.00 -0.04 -0.01 -0.03 -0.08 -0.07 -0.07 0.08 0.11 0.04 -0.01 0.03 -0.03 -0.05 -0.05 0.05 0.02 -0.00 0.04 0.01 0.02 -0.03 0.02 -0.06 0.04 0.03 0.07 -0.07 -0.03 -0.02 0.00 -0.01 -0.02 -0.02 0.08 0.03 0.04 -0.05 0.01 0.02 -0.02 -0.00 0.06 0.01 0.03 -0.01 -0.04 -0.05 -0.11 0.06 -0.04 -0.01 0.04 0.00 0.10 -0.17 0.01 -0.08 -0.15 -0.11 -0.03 0.12 -0.11 -0.11 -0.21 0.08 -0.01 0.09 -0.12 0.04 -0.17 0.13 0.05 -0.04 0.10 0.15 0.34 -0.09 -0.00 0.19 0.19 -0.08 0.06 0.01 -0.05 -0.01 -0.08 -0.21 0.12 0.18 0.08 -0.08 -0.08 0.19 -0.07 -0.22 0.01 -0.13 0.26 -0.02 -0.03 -0.02 -0.05 0.01 0.00 -0.08 0.10 0.01 0.04 -0.11 -0.02 0.10 -0.17 0.02 0.02 -0.10 0.00 0.00 -0.00 -0.00 -0.01 0.03 0.01 -0.00 -0.01 -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 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.01 0.00 0.02 -0.00 0.01 0.03 0.01 -0.01 -0.04 0.00 -0.01 0.01 -0.00 0.01 -0.13 0.01 -0.01 0.11 -0.02 0.02 -0.03 -0.01 0.01 -0.01 0.02 -0.04 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.02 -0.02 0.01 0.00 0.03 -0.02 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.01 0.02 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.03 0.02 0.03 0.05 -0.02 0.18 0.06 -0.01 0.73 -0.05 0.00 -0.60 0.01 0.01 0.03 -0.02 0.07 0.02 0.02 -0.04 0.02 0.01 -0.02 -0.00 0.02 -0.04 0.00 0.00 -0.02 -0.00 0.01 -0.00 -0.00 0.01 -0.02 0.00 0.00 0.01 0.00 -0.02 -0.01 -0.01 -0.02 0.02 0.03 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.01 -0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.03 0.03 -0.02 -0.00 -0.02 -0.02 -0.00 0.08 0.02 -0.01 -0.03 -0.03 0.00 -0.00 0.03 0.01 0.02 0.03 -0.01 0.01 0.00 -0.01 -0.14 -0.05 0.01 -0.01 0.02 -0.00 -0.01 -0.00 -0.01 -0.03 -0.02 0.02 -0.02 0.00 0.02 0.01 0.05 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.01 -0.12 0.04 0.10 0.14 -0.02 -0.03 -0.07 0.07 -0.04 0.03 0.09 0.05 -0.11 0.63 0.10 0.24 0.14 -0.02 0.41 -0.44 -0.12 -0.00 0.01 0.00 -0.01 0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 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 -0.00 0.01 0.01 0.01 -0.00 0.02 0.00 -0.02 -0.01 -0.05 0.01 -0.01 0.15 -0.01 -0.00 0.00 0.01 0.01 -0.05 0.00 -0.00 -0.00 -0.01 -0.00 -0.15 -0.00 0.01 0.00 -0.01 0.00 -0.01 -0.01 -0.02 0.01 -0.01 0.01 0.01 0.01 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 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.01 0.02 -0.02 -0.00 0.21 -0.02 0.00 0.00 0.04 0.03 0.18 0.25 -0.27 0.25 -0.30 0.61 0.16 0.08 -0.33 0.26 -0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.01 0.00 0.01 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.04 0.02 0.01 -0.04 -0.01 -0.02 0.12 0.09 -0.07 0.10 0.04 -0.00 0.01 -0.02 0.02 -0.09 -0.03 0.06 -0.08 -0.03 -0.01 -0.05 -0.00 -0.03 -0.02 -0.00 -0.00 -0.03 -0.01 0.00 0.00 -0.01 0.00 0.03 0.02 -0.00 0.01 -0.01 0.01 0.02 0.02 -0.00 -0.03 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.01 -0.00 0.33 -0.07 0.43 0.16 0.05 -0.05 0.12 -0.00 -0.11 -0.08 -0.37 0.18 0.11 -0.15 0.10 0.01 -0.25 0.20 0.18 0.26 -0.13 0.05 -0.15 -0.20 0.10 -0.06 -0.02 0.07 0.07 0.14 -0.02 -0.01 -0.03 0.10 -0.03 -0.01 0.06 -0.01 0.00 -0.03 -0.05 0.01 0.01 0.02 0.02 -0.01 0.05 0.01 0.02 -0.04 0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 0.00 0.01 0.01 -0.05 0.05 -0.02 0.01 0.02 0.01 0.05 0.02 -0.00 0.09 -0.02 -0.04 -0.02 -0.09 -0.03 -0.03 -0.06 -0.01 -0.10 -0.06 -0.02 -0.00 0.08 0.04 0.03 0.03 0.00 0.00 0.03 0.02 -0.08 0.09 0.10 -0.10 -0.04 -0.00 0.01 -0.08 0.00 0.12 0.06 -0.01 0.02 -0.02 0.02 0.07 0.05 -0.01 -0.12 -0.02 0.00 0.03 -0.00 0.01 -0.03 -0.00 -0.02 0.01 -0.06 -0.01 -0.08 -0.08 -0.09 0.12 0.29 -0.21 0.03 -0.15 -0.07 -0.07 -0.16 -0.04 -0.01 0.11 -0.07 -0.01 0.07 -0.08 -0.05 -0.10 0.02 -0.02 -0.02 0.02 0.01 0.04 0.07 0.01 0.01 0.05 0.49 -0.11 -0.27 0.33 -0.08 -0.06 0.19 -0.03 -0.00 -0.12 -0.13 0.03 0.01 0.08 0.06 -0.01 0.14 0.03 0.07 -0.12 0.02 0.04 -0.03 -0.00 -0.02 0.08 0.00 0.03 -0.05 0.02 0.00 -0.01 -0.01 -0.06 0.06 -0.02 0.00 0.03 0.01 0.05 -0.01 0.03 -0.04 -0.04 -0.03 0.00 0.17 -0.01 -0.01 0.15 0.03 0.03 0.01 0.01 0.03 -0.12 -0.02 -0.01 -0.07 0.03 0.04 -0.10 -0.02 0.00 0.01 -0.01 -0.08 -0.03 -0.00 0.02 -0.11 0.00 0.05 0.08 0.00 -0.01 0.02 0.01 0.04 0.03 -0.00 -0.08 -0.01 0.00 0.05 -0.01 0.02 0.01 -0.01 -0.01 0.01 -0.06 -0.01 -0.07 0.32 -0.12 -0.22 -0.30 0.21 -0.14 0.00 0.18 0.07 0.27 -0.04 -0.07 -0.09 0.06 -0.01 -0.00 0.02 -0.06 -0.08 0.08 0.01 0.25 0.19 -0.15 -0.10 -0.25 -0.09 -0.05 -0.27 -0.07 -0.04 -0.01 0.17 0.00 -0.04 0.04 0.03 -0.01 -0.09 -0.17 0.01 0.03 -0.06 0.01 -0.03 0.03 0.01 0.00 -0.03 0.02 0.06 -0.04 -0.00 -0.03 0.11 0.01 0.04 -0.05 0.04 -0.01 -0.01 -0.00 -0.08 0.08 -0.02 0.00 0.04 0.01 0.02 0.04 -0.01 -0.03 -0.01 -0.00 -0.03 -0.11 0.19 0.02 -0.07 0.01 0.05 0.07 -0.01 -0.03 0.05 -0.11 -0.02 0.02 -0.05 -0.04 0.06 -0.02 0.07 -0.04 -0.05 0.00 -0.03 0.01 0.04 -0.15 -0.00 0.01 0.10 0.00 -0.03 0.03 0.01 0.00 0.01 0.00 -0.05 0.00 0.00 0.07 -0.02 0.03 0.03 -0.02 -0.01 0.00 -0.08 -0.02 0.03 -0.13 0.04 0.05 -0.18 0.16 0.14 0.41 -0.13 0.08 0.03 0.14 0.04 -0.08 0.05 0.04 0.02 0.07 0.09 0.22 -0.07 -0.03 -0.22 -0.18 0.12 0.08 0.19 0.05 -0.02 0.16 -0.27 0.02 0.16 -0.04 0.14 0.02 -0.19 0.12 -0.00 -0.06 -0.13 0.01 0.04 -0.10 -0.00 -0.02 -0.01 0.01 -0.01 -0.01 0.02 0.10 -0.05 0.00 -0.07 0.20 0.01 0.06 -0.08 0.06 0.01 -0.02 -0.01 0.05 -0.06 0.02 0.00 -0.02 -0.01 0.05 0.02 -0.03 -0.01 -0.04 -0.02 0.01 -0.12 0.18 0.02 0.12 0.05 -0.02 0.05 -0.05 -0.02 0.03 -0.09 -0.06 -0.05 -0.04 0.02 -0.04 -0.05 -0.07 0.05 0.07 -0.07 0.02 -0.00 -0.05 0.09 0.00 0.03 -0.07 -0.00 0.02 -0.02 -0.00 0.03 0.01 -0.00 0.01 -0.01 -0.00 -0.06 0.03 -0.02 -0.02 0.01 0.00 0.01 0.06 0.01 -0.00 0.27 -0.02 0.03 -0.16 0.14 0.11 0.34 -0.08 0.08 0.07 0.11 -0.02 -0.26 0.17 0.04 -0.04 0.16 0.07 0.28 -0.02 -0.03 -0.01 0.01 -0.05 -0.00 -0.03 -0.05 -0.11 -0.15 0.25 -0.11 -0.16 0.21 -0.20 -0.06 0.24 -0.12 -0.00 0.01 -0.00 -0.01 -0.02 0.06 0.01 0.01 0.02 -0.00 0.01 -0.01 -0.02 -0.07 0.01 0.00 0.05 -0.17 0.00 -0.05 0.08 -0.04 0.01 0.00 0.01 -0.05 0.07 -0.03 -0.01 0.01 -0.01 -0.04 -0.02 -0.02 0.02 0.02 0.02 0.01 -0.07 -0.01 0.02 0.08 0.01 -0.04 -0.01 -0.02 0.01 0.02 0.01 -0.03 -0.03 -0.00 0.02 -0.04 -0.01 -0.03 0.00 0.03 0.06 0.04 -0.00 0.09 -0.02 -0.00 -0.05 -0.04 0.00 0.02 -0.01 -0.01 -0.03 -0.10 -0.00 -0.02 0.09 0.01 0.08 -0.06 0.05 -0.02 -0.01 0.00 -0.01 -0.06 -0.00 0.05 0.16 0.04 0.03 0.09 -0.06 0.01 -0.04 -0.01 -0.02 -0.02 -0.03 0.02 -0.08 0.05 0.00 -0.07 0.08 0.03 0.07 -0.01 0.01 0.06 0.05 -0.05 -0.04 -0.08 -0.03 -0.03 -0.11 0.12 -0.01 -0.02 -0.21 0.07 0.05 0.16 -0.23 -0.01 0.01 0.77 0.04 -0.01 0.07 0.02 0.03 0.00 -0.00 0.01 -0.02 -0.01 0.04 0.07 -0.02 -0.04 0.18 -0.03 0.08 -0.12 0.02 0.00 -0.00 -0.00 0.03 0.01 -0.05 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.02 0.01 0.00 -0.02 -0.01 0.02 0.01 0.01 -0.00 -0.01 -0.01 0.01 0.01 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 -0.01 0.01 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 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.06 -0.03 0.12 -0.01 -0.05 -0.02 -0.02 -0.04 0.03 -0.01 0.02 0.01 0.01 0.02 0.01 0.00 0.02 -0.02 -0.00 0.01 -0.02 -0.00 -0.01 -0.00 0.00 -0.02 -0.02 0.02 0.00 0.02 0.01 0.02 0.04 -0.01 -0.01 -0.01 0.06 -0.05 -0.01 0.06 -0.04 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.19 0.64 -0.12 0.20 0.00 -0.25 0.29 -0.52 -0.18 0.00 -0.02 -0.02 -0.01 0.00 0.01 -0.00 -0.01 -0.00 0.05 0.01 0.01 -0.06 -0.05 -0.04 -0.01 0.12 0.02 -0.01 -0.11 -0.00 0.08 0.04 0.05 -0.01 -0.05 -0.03 0.04 0.03 -0.01 -0.03 0.05 0.00 -0.02 0.01 0.02 -0.07 0.03 -0.00 0.01 0.04 -0.00 -0.01 -0.05 0.00 0.00 0.03 0.00 0.03 -0.07 -0.01 -0.03 0.06 0.01 0.01 -0.01 0.01 -0.01 -0.02 0.00 0.02 0.01 -0.03 -0.05 -0.24 -0.03 -0.07 -0.17 0.12 -0.04 0.07 0.04 0.04 0.06 0.05 -0.01 0.08 -0.05 0.01 0.10 -0.09 -0.02 -0.05 0.01 -0.02 -0.12 -0.10 0.09 0.06 0.14 0.05 0.02 0.16 -0.01 -0.06 -0.07 0.20 -0.20 -0.05 0.44 -0.33 -0.02 -0.02 0.45 0.02 -0.00 0.02 0.01 0.03 -0.01 -0.00 0.03 -0.05 -0.01 0.02 -0.15 0.02 -0.03 -0.04 0.07 -0.10 0.15 0.03 -0.00 0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.02 -0.00 0.02 -0.02 -0.01 -0.01 0.09 0.02 -0.07 -0.13 -0.02 0.16 0.01 0.00 0.01 -0.04 -0.00 0.01 0.08 -0.02 -0.10 0.08 0.03 -0.09 -0.01 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.00 -0.01 0.01 0.00 0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.09 -0.05 0.23 0.08 -0.00 0.00 0.05 0.02 -0.06 -0.03 -0.13 0.08 -0.22 -0.22 0.14 0.12 0.45 -0.06 -0.12 0.14 0.17 -0.19 -0.13 0.09 -0.08 0.23 0.28 -0.09 -0.36 -0.21 0.01 -0.02 -0.02 -0.07 0.05 0.01 -0.07 0.05 0.00 0.01 0.00 0.00 -0.01 0.02 -0.00 -0.01 0.01 0.00 -0.01 0.02 0.00 0.03 0.02 -0.00 -0.03 0.07 -0.01 0.06 -0.06 0.03 0.01 -0.01 -0.02 0.08 0.03 0.05 -0.02 -0.02 -0.02 0.03 -0.01 -0.01 -0.03 -0.02 -0.01 -0.03 0.05 0.02 0.03 -0.02 -0.00 0.02 0.01 0.01 0.01 -0.02 -0.01 -0.01 0.01 0.00 -0.02 0.01 0.00 -0.06 0.03 0.04 -0.00 0.03 -0.01 -0.02 0.03 0.00 0.01 -0.04 -0.00 0.05 -0.12 -0.01 -0.00 0.05 0.00 0.03 -0.03 -0.00 0.01 -0.02 -0.00 -0.02 0.05 0.01 -0.11 -0.04 -0.07 0.01 -0.05 -0.03 -0.06 -0.06 0.04 -0.04 0.01 0.05 0.02 0.07 -0.01 0.04 0.01 -0.01 -0.00 -0.04 0.02 0.02 0.01 -0.03 0.01 -0.03 -0.06 0.05 -0.02 0.01 0.03 0.04 0.08 0.16 -0.06 -0.12 -0.19 0.10 0.03 -0.14 0.15 0.01 0.04 0.01 0.00 -0.03 0.09 -0.00 -0.03 0.06 0.01 -0.06 0.09 0.01 0.37 -0.09 0.08 -0.24 0.57 -0.01 0.29 -0.21 0.24 -0.02 0.01 0.02 0.08 0.01 0.05 -0.01 -0.02 -0.01 -0.03 0.02 0.02 0.02 0.01 0.01 0.07 -0.06 -0.01 -0.04 0.03 -0.04 -0.00 0.00 -0.01 -0.03 0.03 0.01 0.01 -0.00 0.02 0.02 -0.02 0.02 0.06 -0.03 -0.05 -0.01 -0.01 0.01 -0.02 0.03 0.00 -0.01 0.01 0.00 -0.06 0.15 0.01 0.01 -0.05 -0.00 -0.02 0.02 0.00 -0.04 0.02 -0.02 0.03 -0.06 -0.01 -0.08 -0.02 -0.05 -0.04 0.06 -0.05 0.10 0.05 -0.03 0.08 0.02 -0.08 -0.03 -0.11 0.05 -0.03 0.05 -0.03 -0.02 -0.01 -0.05 -0.03 -0.09 0.02 0.02 0.09 0.08 -0.06 -0.02 -0.07 -0.02 0.02 -0.08 -0.19 0.06 0.12 0.35 -0.23 -0.06 0.28 -0.22 -0.01 -0.03 -0.13 -0.01 0.04 -0.12 -0.00 0.04 -0.07 -0.01 0.08 -0.11 -0.01 0.29 -0.07 0.07 -0.17 0.39 -0.01 0.24 -0.17 0.18 -0.00 -0.01 -0.00 -0.03 0.00 -0.01 0.00 0.01 0.00 -0.03 0.03 0.02 -0.09 -0.04 -0.02 0.23 -0.06 0.04 -0.11 0.03 -0.14 0.08 0.07 0.03 -0.09 0.02 -0.02 0.05 0.00 0.07 0.01 -0.03 0.07 -0.03 -0.00 0.01 -0.02 0.01 0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.05 -0.10 -0.01 0.00 0.03 0.00 0.01 -0.01 -0.00 0.02 -0.01 0.01 -0.02 0.04 0.00 0.02 -0.00 0.01 -0.19 -0.02 -0.27 0.23 -0.08 0.07 0.18 0.18 -0.19 -0.01 -0.24 0.23 -0.06 0.21 -0.14 -0.08 -0.01 -0.19 -0.08 -0.30 0.05 0.07 0.20 0.12 -0.10 -0.07 -0.16 -0.02 0.15 -0.06 -0.01 -0.08 -0.06 -0.18 0.11 0.03 -0.10 0.11 0.00 0.02 0.13 0.01 -0.03 0.08 0.00 -0.03 0.05 0.01 -0.05 0.07 0.01 -0.06 0.01 -0.02 0.03 -0.07 0.00 -0.06 0.05 -0.04 -0.03 -0.03 -0.03 -0.02 0.01 -0.01 -0.01 -0.00 -0.00 0.05 0.09 0.08 -0.16 -0.11 -0.08 -0.19 -0.22 -0.17 0.02 0.04 0.02 0.29 0.19 0.14 0.05 0.08 0.07 -0.04 0.00 -0.01 0.05 -0.02 0.00 -0.01 0.01 0.03 0.02 0.05 -0.01 0.01 0.02 -0.00 0.02 -0.03 -0.00 -0.02 0.01 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.03 -0.02 0.02 0.00 -0.00 0.00 0.01 -0.01 0.00 0.14 0.26 0.18 -0.03 0.29 -0.19 -0.03 -0.31 -0.01 -0.12 -0.14 -0.23 0.04 -0.05 0.04 -0.01 -0.10 0.07 0.04 0.06 -0.05 -0.01 0.05 0.10 -0.07 0.01 -0.04 -0.04 -0.07 -0.13 -0.07 -0.14 -0.14 0.18 -0.15 -0.03 -0.17 0.08 0.01 -0.01 -0.14 -0.01 0.00 -0.02 -0.01 0.00 -0.01 -0.00 0.01 -0.01 -0.01 -0.01 0.01 -0.01 -0.00 0.01 0.00 -0.02 0.01 -0.00 -0.02 0.01 0.01 0.04 -0.03 0.02 0.01 0.01 0.01 0.02 0.03 0.03 0.03 -0.01 -0.02 -0.04 -0.04 -0.03 0.00 0.01 0.01 0.02 0.01 0.01 0.01 0.02 0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.06 -0.02 -0.05 -0.10 -0.09 0.01 -0.08 -0.09 0.01 -0.01 0.07 -0.00 0.04 -0.09 -0.01 0.09 0.05 -0.01 0.00 0.02 0.00 -0.08 0.06 -0.05 -0.01 0.03 -0.00 -0.01 0.02 0.00 0.04 0.07 0.06 -0.00 0.07 -0.05 -0.00 -0.05 -0.00 -0.02 -0.02 -0.04 0.00 -0.02 0.01 -0.00 -0.02 0.01 0.01 0.01 -0.01 -0.01 0.01 0.02 -0.02 0.01 -0.00 -0.01 -0.02 -0.03 -0.28 0.07 0.15 -0.42 0.35 0.08 0.51 -0.21 -0.03 0.03 0.35 0.01 -0.01 0.07 0.01 -0.04 0.05 0.01 -0.07 0.08 0.02 0.03 -0.02 0.02 0.02 -0.06 -0.01 0.05 -0.04 0.01 -0.04 0.02 0.03 -0.08 0.04 -0.04 -0.04 -0.01 -0.02 0.00 0.02 0.01 0.11 0.00 -0.03 -0.01 -0.02 -0.01 -0.01 0.01 -0.00 -0.03 -0.02 -0.02 0.00 0.01 0.01 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.08 -0.04 -0.05 -0.14 0.05 0.04 -0.16 0.19 -0.01 -0.02 -0.06 0.00 0.05 -0.10 -0.01 -0.01 0.10 0.00 0.07 -0.04 -0.01 0.27 -0.17 0.10 -0.01 0.03 0.01 0.01 -0.04 -0.00 0.05 -0.00 0.09 0.01 0.03 -0.03 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 0.02 -0.00 -0.01 0.01 0.03 0.02 -0.00 0.00 0.00 -0.01 0.00 0.02 -0.02 0.01 0.00 -0.01 -0.01 -0.03 -0.47 0.13 0.31 0.19 -0.22 -0.04 0.32 -0.09 -0.00 0.08 -0.22 -0.02 -0.03 0.07 -0.01 -0.03 0.04 0.01 -0.05 0.07 -0.01 -0.10 0.11 -0.07 -0.05 0.20 0.02 -0.16 0.12 -0.02 -0.02 0.01 0.01 0.01 -0.01 0.01 0.01 0.00 0.00 -0.01 0.00 0.00 0.06 -0.00 -0.02 -0.01 -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 -0.00 -0.00 0.04 -0.02 -0.02 -0.08 0.12 0.02 0.06 -0.04 -0.00 0.01 -0.02 0.00 -0.05 -0.12 -0.00 0.06 -0.02 -0.00 -0.01 -0.01 0.00 -0.06 0.03 -0.02 0.02 0.04 -0.00 -0.00 0.01 0.00 0.03 0.03 0.05 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.01 0.01 0.01 -0.01 0.01 0.00 -0.00 -0.01 -0.01 -0.23 0.08 0.14 0.47 -0.33 -0.07 -0.43 0.30 0.02 0.01 0.44 0.02 -0.01 -0.03 -0.04 -0.11 0.00 0.02 -0.09 0.10 0.04 0.02 -0.03 0.02 0.01 -0.05 -0.00 0.03 -0.03 0.00 -0.02 0.00 0.01 0.01 0.01 0.00 0.00 -0.03 -0.01 0.04 0.01 0.01 0.04 -0.02 -0.03 -0.01 -0.01 -0.01 0.01 -0.00 0.01 0.02 0.01 0.01 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 -0.12 -0.25 0.01 0.33 0.16 -0.02 -0.24 0.12 0.03 0.28 0.08 -0.02 -0.19 0.12 0.02 -0.05 -0.26 -0.01 -0.06 0.02 0.01 -0.06 -0.01 0.00 -0.00 -0.00 -0.00 -0.04 0.05 -0.08 -0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.01 0.01 -0.01 0.01 0.00 -0.02 0.01 0.01 0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.24 0.05 0.11 0.23 -0.21 -0.10 -0.12 0.08 0.05 -0.01 0.39 0.03 -0.01 0.21 0.09 0.19 0.14 -0.01 0.09 -0.08 -0.08 0.03 -0.02 0.01 -0.00 -0.02 0.00 0.04 -0.02 0.02 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.01 0.01 -0.02 0.02 0.06 -0.08 -0.08 -0.11 -0.01 -0.01 -0.01 0.01 0.00 -0.02 -0.00 0.02 0.04 0.06 -0.01 -0.02 -0.01 -0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.43 0.46 0.62 -0.04 -0.05 0.05 -0.06 0.01 0.04 0.03 -0.02 0.05 0.01 0.12 -0.07 -0.07 -0.03 -0.09 0.06 -0.05 -0.06 -0.08 0.11 0.19 -0.11 0.14 0.13 0.03 -0.01 -0.06 0.08 -0.01 -0.03 -0.02 0.01 0.00 0.00 -0.01 0.00 -0.00 -0.02 -0.00 0.00 0.00 0.01 0.01 0.00 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.05 0.02 -0.04 0.02 -0.12 0.06 -0.00 -0.00 0.01 -0.03 -0.02 0.01 -0.06 0.01 0.02 0.00 0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -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 -0.14 0.76 -0.46 0.09 0.02 -0.04 0.11 0.05 -0.08 -0.02 0.07 -0.03 0.18 0.09 -0.07 -0.04 -0.01 0.06 0.14 0.12 -0.13 -0.06 -0.02 0.03 0.06 0.04 0.09 0.04 -0.07 0.08 -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 -0.01 -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 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.03 0.01 0.02 -0.01 0.00 0.01 -0.01 -0.01 -0.02 0.01 -0.00 -0.00 -0.04 -0.09 0.04 0.02 0.04 -0.01 0.02 0.04 0.05 0.01 -0.01 -0.02 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.01 0.00 -0.00 0.01 0.00 0.01 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.06 0.02 0.10 0.20 0.25 -0.35 0.25 0.35 -0.07 0.00 0.48 -0.09 -0.06 -0.10 0.13 0.01 -0.18 0.02 -0.10 -0.16 0.02 0.02 -0.23 -0.11 -0.04 -0.05 -0.22 -0.13 -0.14 -0.17 0.12 -0.03 -0.06 0.04 -0.02 -0.01 0.02 0.00 -0.00 0.01 0.04 0.00 -0.00 0.00 -0.01 -0.02 -0.01 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 0.03 -0.01 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 0.04 0.03 -0.11 0.05 0.08 -0.01 -0.01 -0.01 0.01 0.02 0.01 -0.02 -0.01 -0.01 -0.00 0.00 0.01 -0.01 -0.04 0.01 -0.01 -0.03 -0.03 0.07 -0.06 -0.09 0.03 -0.08 -0.00 -0.05 0.02 -0.00 -0.03 0.09 0.01 -0.09 -0.04 0.01 0.01 0.06 0.00 0.05 -0.07 -0.01 0.03 -0.02 0.01 0.04 0.01 -0.00 0.00 -0.01 0.00 -0.04 -0.08 -0.03 0.00 0.02 -0.02 0.01 -0.01 -0.01 -0.01 -0.00 -0.02 0.07 0.10 -0.12 -0.00 0.21 -0.03 0.10 0.13 -0.02 -0.03 0.16 0.10 -0.00 0.05 0.17 0.11 0.13 0.13 0.53 -0.10 -0.26 0.29 -0.12 -0.04 0.10 0.02 -0.00 0.08 0.37 0.01 -0.03 -0.00 -0.11 -0.19 -0.06 0.03 -0.05 0.03 0.09 -0.03 0.02 -0.02 -0.01 0.07 -0.00 -0.05 0.02 -0.03 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.02 -0.01 -0.02 -0.01 -0.01 0.00 0.00 0.04 -0.01 0.02 0.01 0.01 -0.03 -0.06 0.03 -0.01 -0.06 0.02 -0.01 -0.06 -0.06 -0.02 0.02 0.02 -0.01 0.02 -0.00 0.02 -0.01 0.00 0.01 -0.02 -0.00 0.03 0.01 -0.00 -0.00 -0.02 -0.00 -0.01 0.02 0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.01 -0.18 0.06 0.17 0.17 -0.24 0.17 0.20 -0.06 0.00 0.37 -0.07 0.04 0.16 -0.19 -0.02 0.29 -0.07 0.13 0.20 -0.01 -0.05 0.27 0.18 -0.04 0.10 0.29 0.20 0.25 0.21 -0.13 0.02 0.06 -0.08 0.03 0.01 -0.03 -0.00 0.00 -0.02 -0.09 -0.00 0.01 -0.00 0.03 0.05 0.01 -0.01 0.02 -0.01 -0.02 0.00 -0.01 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.02 0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.06 -0.13 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 0.01 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.00 -0.01 -0.06 -0.00 -0.13 0.47 -0.21 -0.22 0.52 0.29 -0.32 0.37 -0.22 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.03 -0.09 0.05 0.01 0.05 0.07 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 -0.04 0.06 -0.05 0.01 -0.01 -0.02 0.02 0.03 0.00 -0.03 0.00 0.14 0.26 -0.31 -0.06 0.46 -0.13 0.27 0.30 -0.08 0.10 -0.27 -0.20 0.01 -0.10 -0.30 -0.21 -0.19 -0.26 -0.02 0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 0.06 -0.02 -0.05 0.02 -0.04 0.02 -0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 0.02 0.05 0.04 -0.08 0.06 0.08 -0.01 -0.01 -0.01 0.00 0.00 0.01 -0.03 -0.03 -0.02 0.01 0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.14 -0.11 -0.12 -0.14 0.14 0.04 0.04 -0.04 -0.00 -0.04 -0.08 0.00 0.16 -0.01 -0.02 0.02 -0.05 -0.00 -0.06 0.07 0.01 -0.01 0.00 0.00 -0.07 -0.00 0.00 -0.01 0.01 -0.00 -0.03 -0.00 -0.05 -0.08 0.01 0.01 0.02 0.00 -0.01 -0.03 -0.08 -0.05 0.04 -0.00 -0.01 0.00 0.05 0.00 0.02 0.00 -0.02 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.01 -0.01 0.02 0.42 -0.06 -0.19 -0.14 -0.03 0.02 -0.05 -0.01 0.00 -0.08 -0.35 -0.00 0.12 -0.07 0.28 0.45 0.19 -0.06 -0.02 0.11 -0.22 0.02 -0.09 0.03 0.01 -0.09 0.00 0.08 -0.08 -0.02 0.00 -0.00 -0.00 0.04 -0.03 0.02 -0.01 -0.02 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 0.02 -0.01 -0.00 -0.01 0.00 0.00 -0.03 0.04 -0.01 -0.01 -0.00 -0.00 0.05 -0.07 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 0.05 -0.04 0.04 0.03 -0.01 0.06 -0.05 -0.07 0.00 -0.01 -0.00 0.01 -0.02 0.01 0.00 0.01 0.02 0.01 0.01 0.00 -0.01 -0.04 0.02 0.01 -0.05 0.03 0.00 -0.01 0.01 0.00 0.02 -0.02 0.04 0.07 0.03 -0.01 -0.01 0.02 -0.03 -0.29 0.29 -0.18 -0.09 0.66 0.03 -0.45 0.29 -0.15 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.02 0.01 -0.00 0.02 -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 0.03 0.00 -0.04 0.00 -0.01 0.00 -0.17 -0.01 0.04 0.14 0.07 -0.09 -0.11 -0.07 -0.21 -0.15 0.00 0.02 -0.09 -0.06 -0.18 0.11 0.06 -0.06 -0.05 0.03 0.06 0.07 -0.04 -0.05 0.02 -0.10 0.08 -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 0.01 -0.01 -0.02 -0.01 0.00 0.00 -0.01 0.01 -0.43 0.12 -0.19 -0.35 -0.06 0.52 0.26 -0.09 0.21 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.01 -0.02 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.02 0.00 -0.04 -0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.01 -0.02 -0.00 0.03 -0.02 0.43 0.03 -0.09 -0.33 -0.18 0.20 0.26 0.18 0.50 0.06 0.01 -0.01 0.02 0.02 0.05 -0.02 -0.01 0.01 0.13 0.01 -0.11 -0.02 0.04 0.09 -0.05 0.10 -0.14 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 0.03 0.04 0.02 -0.00 -0.01 0.02 -0.02 -0.23 0.01 -0.08 -0.17 -0.04 0.25 0.15 -0.08 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 -0.01 0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.02 0.01 0.02 0.02 -0.01 -0.01 -0.03 -0.01 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.01 -0.00 0.03 0.05 0.06 0.19 -0.14 0.17 0.17 -0.24 -0.24 -0.07 0.16 -0.18 -0.23 0.11 -0.10 0.01 -0.15 0.02 -0.07 0.18 0.16 0.33 0.26 -0.19 0.32 -0.06 0.22 -0.16 -0.08 -0.22 0.00 -0.00 -0.00 0.02 -0.01 -0.00 -0.01 0.01 0.00 0.01 0.05 0.00 0.06 -0.09 0.09 0.16 0.09 -0.01 -0.03 0.09 -0.11 0.07 0.08 -0.01 0.02 -0.01 -0.03 -0.04 0.07 0.07 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.00 0.01 0.00 -0.02 0.01 -0.02 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.05 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 0.02 -0.02 -0.03 0.02 0.03 0.01 -0.01 0.03 -0.02 -0.01 0.02 -0.02 -0.00 -0.05 0.03 0.00 -0.03 -0.04 -0.02 0.03 -0.01 -0.00 -0.03 0.02 -0.02 0.04 -0.01 -0.00 0.00 0.03 -0.01 -0.01 -0.03 0.02 -0.00 0.00 0.01 -0.00 0.30 0.35 0.48 0.21 -0.16 -0.13 -0.46 0.12 0.39 0.10 0.15 -0.02 0.01 -0.07 -0.01 -0.02 0.10 0.16 -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 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 0.01 0.01 -0.01 -0.01 0.01 0.01 0.02 -0.01 -0.00 -0.03 0.00 0.00 0.00 0.01 0.00 -0.03 -0.00 0.01 0.02 0.01 -0.00 0.00 -0.03 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.02 -0.01 -0.03 -0.02 -0.01 -0.02 -0.02 -0.01 0.05 -0.06 -0.09 0.06 0.09 0.05 -0.03 0.11 -0.04 -0.04 0.05 -0.07 0.01 -0.13 0.09 -0.01 -0.09 -0.13 -0.05 0.09 -0.04 -0.02 -0.10 0.06 -0.06 0.12 -0.01 -0.00 0.01 0.03 -0.00 -0.01 -0.02 0.04 0.00 0.01 0.12 0.01 0.02 -0.31 0.02 0.28 0.24 0.03 0.09 0.15 -0.37 0.24 0.37 -0.05 0.03 -0.17 -0.03 -0.04 0.24 0.38 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.02 0.02 0.02 0.04 -0.02 -0.01 -0.04 0.00 0.00 -0.00 0.02 0.00 -0.05 -0.00 0.00 0.02 0.02 -0.00 0.01 -0.04 -0.00 0.01 -0.01 0.00 -0.02 -0.02 0.00 0.01 0.03 0.02 0.00 -0.00 0.00 -0.09 0.01 -0.00 0.03 0.06 -0.01 -0.03 -0.04 -0.06 0.09 -0.00 -0.00 0.04 0.03 0.07 -0.04 -0.05 0.01 -0.05 -0.06 0.02 -0.09 0.03 -0.03 0.02 0.05 0.01 -0.05 0.01 0.02 0.07 -0.02 -0.01 -0.00 0.03 0.00 0.02 0.14 0.01 0.16 -0.20 0.25 0.42 0.21 -0.03 -0.11 0.23 -0.24 -0.23 -0.38 0.06 -0.03 0.12 0.04 0.08 -0.26 -0.36 0.00 -0.00 -0.00 -0.00 -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 0.01 0.00 0.01 -0.02 0.00 -0.02 0.01 -0.03 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.00 0.01 0.00 -0.15 -0.02 0.04 0.12 0.06 -0.07 -0.09 -0.07 -0.18 0.34 0.02 -0.06 0.17 0.16 0.32 -0.17 -0.14 0.07 0.14 -0.14 -0.18 -0.29 0.17 0.15 -0.04 0.39 -0.26 -0.01 -0.00 0.00 -0.01 0.01 0.00 -0.01 0.01 0.00 -0.00 0.01 0.00 0.00 -0.02 0.00 0.01 0.01 0.00 0.00 0.01 -0.02 0.02 0.18 -0.06 -0.07 -0.14 0.11 0.07 0.07 0.23 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.01 -0.01 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.02 -0.02 -0.01 0.02 -0.02 -0.02 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.08 -0.04 -0.31 0.21 -0.24 -0.14 0.36 0.26 0.05 -0.21 0.13 -0.26 0.22 -0.22 0.09 -0.22 0.19 -0.20 0.29 0.32 0.07 0.07 -0.03 0.08 -0.01 0.07 -0.02 -0.00 -0.03 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.02 -0.01 -0.01 0.01 0.01 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 0.01 -0.04 0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.02 -0.03 0.01 0.03 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.04 -0.02 0.04 0.18 -0.10 0.10 0.04 -0.18 -0.11 -0.00 0.11 -0.02 0.17 0.17 -0.21 0.21 0.05 0.41 -0.28 0.04 0.28 -0.27 -0.04 0.23 0.05 -0.11 -0.28 0.09 -0.27 0.28 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -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 -0.02 -0.04 -0.05 0.07 0.04 0.01 0.08 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.03 0.01 -0.01 0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.02 0.01 -0.00 -0.03 0.01 -0.01 -0.01 -0.00 -0.00 -0.02 -0.03 0.00 -0.00 0.04 0.00 0.02 -0.01 -0.00 -0.01 0.02 0.00 0.03 -0.02 -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 0.01 -0.01 0.07 -0.14 0.10 -0.12 -0.04 0.18 0.10 0.01 -0.07 0.03 0.39 -0.12 0.09 0.07 0.24 0.12 -0.02 -0.30 -0.13 0.17 0.35 0.00 0.46 -0.16 0.11 -0.09 -0.31 0.01 -0.01 0.00 0.00 -0.08 0.06 0.01 -0.10 0.06 0.01 -0.01 0.06 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 0.01 -0.01 -0.00 0.00 -0.01 0.00 -0.01 -0.04 0.02 0.04 -0.02 0.02 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.02 -0.01 0.04 0.03 0.02 0.00 0.01 0.01 -0.01 0.00 0.00 0.01 -0.00 0.01 -0.01 -0.01 -0.01 -0.01 0.01 0.00 0.01 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.02 -0.04 -0.11 -0.11 0.01 -0.02 0.18 0.00 0.11 -0.05 -0.01 -0.05 0.11 0.01 0.15 -0.11 -0.02 -0.07 -0.03 0.00 0.03 -0.02 0.02 0.01 -0.02 0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.04 0.06 -0.04 0.05 0.02 -0.08 -0.05 -0.01 0.03 -0.01 -0.20 0.06 -0.05 -0.03 -0.13 -0.06 0.01 0.15 0.07 -0.08 -0.15 0.01 -0.20 0.07 -0.05 0.04 0.13 0.01 0.01 0.00 0.00 -0.37 0.29 0.06 -0.48 0.30 0.04 -0.07 0.29 0.02 -0.02 -0.02 -0.04 -0.03 -0.04 0.00 0.05 -0.07 0.01 0.02 -0.08 0.03 0.01 -0.02 -0.02 0.03 -0.05 -0.04 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.04 -0.02 0.06 0.04 0.03 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 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.05 -0.04 -0.05 -0.13 -0.20 0.01 0.28 0.15 -0.01 0.12 0.07 -0.01 -0.24 -0.25 0.01 -0.18 -0.07 0.01 0.12 0.30 0.00 -0.01 0.03 0.02 0.01 0.03 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.03 0.02 0.02 0.04 0.13 0.00 0.09 -0.27 -0.01 0.10 -0.50 -0.03 0.09 -0.22 0.09 0.16 0.11 -0.00 -0.12 0.23 -0.12 0.02 -0.02 0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.02 -0.01 -0.03 -0.02 -0.01 -0.01 0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.09 0.01 0.01 -0.16 0.16 0.03 0.15 -0.09 -0.01 0.28 -0.20 -0.04 -0.19 0.15 0.02 -0.23 0.20 0.03 0.09 -0.25 -0.02 -0.00 0.03 0.01 0.02 -0.02 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 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 0.05 -0.01 -0.03 -0.42 0.28 0.06 0.34 -0.15 -0.02 0.13 0.35 0.00 0.06 -0.06 0.06 0.06 -0.02 -0.02 -0.06 0.04 0.01 0.01 0.01 0.00 0.01 -0.01 -0.00 0.00 0.00 0.01 0.01 -0.02 -0.02 -0.00 0.00 -0.00 -0.01 -0.02 -0.01 -0.33 -0.26 -0.20 -0.11 -0.03 -0.00 -0.02 -0.01 -0.00 0.01 -0.00 -0.01 0.04 0.05 0.05 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.56 0.38 0.24 -0.15 -0.14 -0.00 0.01 0.08 -0.00 -0.00 0.06 0.01 -0.00 -0.06 0.00 0.05 -0.06 -0.00 -0.01 0.09 0.00 0.01 0.01 0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 0.04 -0.02 0.05 -0.00 -0.01 0.01 -0.03 -0.02 0.02 0.01 0.03 -0.00 0.02 -0.00 0.01 -0.01 0.02 -0.02 0.02 -0.01 -0.02 0.01 -0.01 -0.02 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.27 -0.13 -0.21 0.04 0.03 -0.04 -0.10 0.03 0.01 -0.02 -0.09 -0.01 -0.00 -0.03 -0.00 0.01 0.01 0.00 0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.01 0.02 -0.04 -0.03 -0.03 -0.21 -0.40 -0.20 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.02 -0.03 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.00 0.00 0.04 -0.00 -0.01 -0.04 -0.10 -0.01 -0.03 0.02 0.01 0.03 -0.00 -0.00 0.04 0.00 0.00 -0.02 -0.00 0.00 0.31 0.65 0.30 -0.00 0.00 -0.00 -0.01 0.03 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.03 -0.03 -0.00 -0.03 0.07 -0.01 -0.02 0.04 0.00 -0.00 0.01 -0.00 -0.01 0.01 0.00 0.00 -0.01 0.01 0.11 -0.06 0.08 0.06 -0.24 -0.02 0.15 -0.05 0.06 -0.30 0.20 0.29 0.00 0.00 -0.00 0.01 0.02 0.01 -0.02 -0.01 -0.00 -0.05 0.03 0.04 -0.03 0.02 0.03 0.01 -0.01 0.01 0.50 -0.34 -0.48 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.03 0.04 0.05 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.03 -0.01 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.02 -0.05 -0.05 -0.05 0.07 0.00 -0.02 -0.02 -0.01 -0.06 -0.04 0.02 0.02 -0.03 0.02 0.01 0.03 -0.00 0.02 0.01 -0.00 -0.03 -0.02 -0.00 0.01 0.00 0.01 0.01 0.02 0.33 -0.07 -0.17 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 0.01 -0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.04 -0.02 -0.00 0.00 0.00 0.03 -0.00 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.37 0.03 -0.25 0.18 -0.25 0.72 -0.27 -0.28 -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 -0.07 0.01 0.04 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.84 -0.13 -0.48 -0.00 -0.02 -0.02 0.03 -0.01 0.03 -0.07 0.01 0.03 0.01 0.03 0.04 -0.09 0.01 0.05 -0.03 0.01 -0.03 -0.06 0.04 -0.06 -0.03 -0.07 0.03 -0.05 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 -0.01 -0.00 0.01 -0.01 0.01 -0.02 0.01 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.04 0.02 -0.00 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 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 -0.00 -0.02 -0.01 0.01 -0.00 0.01 -0.02 0.00 0.01 0.03 0.35 0.37 0.47 -0.05 -0.23 -0.37 0.16 -0.38 0.17 -0.10 0.17 0.07 0.16 -0.07 -0.19 0.04 0.10 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.02 0.01 0.01 0.02 0.04 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -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 0.02 0.01 0.09 0.09 -0.10 0.04 -0.11 0.12 -0.02 -0.05 0.01 0.16 0.16 0.21 -0.02 -0.10 -0.14 0.06 -0.14 -0.38 0.22 -0.38 -0.17 -0.39 0.17 0.43 -0.09 -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.03 0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.08 -0.01 -0.05 0.02 0.32 0.29 -0.42 0.16 -0.46 0.52 -0.09 -0.23 -0.00 -0.03 -0.03 -0.05 0.00 0.02 0.02 -0.01 0.02 0.10 -0.06 0.10 0.03 0.07 -0.03 -0.13 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 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 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 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.01 -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 -0.19 0.18 0.64 -0.32 -0.06 -0.24 0.37 0.40 -0.24 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.09 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.50 -0.04 0.30 0.15 -0.21 0.55 0.33 0.36 0.21 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.05 -0.01 -0.05 0.03 -0.04 0.03 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.04 -0.04 -0.04 0.02 -0.05 -0.00 0.00 0.00 0.01 0.28 0.27 0.20 -0.02 -0.12 0.39 -0.17 0.39 -0.31 0.18 -0.32 0.15 0.32 -0.13 -0.23 0.04 0.14 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.04 0.01 0.05 0.03 -0.05 0.03 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.01 0.02 -0.00 -0.04 -0.04 -0.03 0.01 -0.03 0.02 -0.00 -0.01 -0.02 -0.31 -0.31 -0.07 0.01 0.05 -0.34 0.16 -0.35 -0.35 0.19 -0.36 0.17 0.37 -0.15 -0.19 0.03 0.12 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.06 0.04 0.05 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 0.07 -0.01 -0.04 0.00 0.05 0.05 0.06 -0.02 0.06 0.03 -0.00 -0.01 -0.04 -0.39 -0.39 0.65 -0.05 -0.32 0.11 -0.05 0.14 0.02 -0.01 0.01 -0.09 -0.22 0.09 -0.18 0.04 0.09 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.08 0.00 -0.03 0.01 -0.01 -0.01 0.03 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 0.01 0.02 -0.00 0.19 0.16 0.44 -0.17 0.49 0.50 -0.09 -0.24 0.01 0.09 0.09 -0.13 0.01 0.06 -0.02 0.01 -0.02 -0.06 0.04 -0.07 -0.05 -0.13 0.05 -0.23 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 -0.00 0.00 0.00 -0.00 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 -0.08 -0.04 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.02 0.03 -0.00 -0.01 -0.00 -0.01 -0.01 0.02 -0.00 -0.01 0.01 -0.00 0.01 0.01 -0.01 0.01 0.02 0.05 -0.02 0.06 -0.02 -0.03 0.00 0.00 0.00 -0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.02 0.00 0.00 0.56 0.04 -0.36 -0.02 -0.02 0.02 0.43 0.49 0.32 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.03 0.01 -0.00 -0.02 0.01 0.01 -0.07 -0.02 0.03 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.12 -0.02 -0.07 -0.01 -0.00 -0.01 0.15 -0.05 0.17 0.27 -0.05 -0.13 -0.01 -0.08 -0.08 0.19 -0.01 -0.09 0.05 -0.02 0.06 0.07 -0.05 0.09 0.19 0.47 -0.19 0.57 -0.14 -0.31 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.06 -0.00 0.04 0.00 0.00 -0.00 -0.05 -0.05 -0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -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 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.17 0.19 0.62 0.08 0.02 0.03 -0.46 -0.50 0.28 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 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 -0.01 -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 0.05 0.64 0.56 0.09 -0.04 0.08 -0.43 0.06 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 -0.02 0.06 0.13 -0.06 0.05 -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 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.02 -0.00 -0.08 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 0.01 0.02 -0.00 -0.15 -0.23 0.01 0.95 -0.04 -0.09 0.02 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.01 0.02 0.00 0.02 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.07 -0.03 -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 -0.02 -0.02 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.08 0.06 0.22 0.73 0.13 0.53 0.19 0.21 -0.14 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.05 -0.07 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.55 0.83 -0.03 0.04 0.06 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.04 -0.07 0.00 -0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.05 0.00 0.51 0.81 -0.02 0.27 -0.02 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.04 -0.05 -0.04 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.48 0.64 0.60 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 8 8 8 7 7 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 8 8 8 7 7 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 15.99491 15.99491 15.99491 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 288.14739 4163.88642 7525.06951 9816.60389 0.99977 -0.01637 0.01401 0.0165 0.99982 -0.00929 -0.01386 0.00952 0.99986 asymmetric 1 0.02080 0.01151 0.00882 0.43343 0.23983 0.18385 886392.9 41.15 51.08 57.47 84.27 100.72 114.38 124.60 161.71 163.81 222.45 240.88 258.12 285.86 313.78 322.63 334.57 357.98 369.87 408.88 431.48 444.31 470.17 491.81 518.85 553.04 561.80 611.10 648.75 719.47 755.03 774.16 823.54 866.48 886.31 940.96 983.54 1024.26 1054.16 1077.13 1113.09 1149.92 1175.07 1215.30 1233.10 1254.91 1324.50 1341.38 1369.21 1371.72 1401.13 1403.85 1404.43 1428.11 1473.20 1525.42 1534.34 1547.88 1583.35 1620.76 1642.91 1674.83 1687.28 1690.83 1726.46 1743.33 1749.30 1760.95 1820.33 1830.61 1862.57 1891.21 1915.49 1943.50 1960.14 2017.19 2026.74 2028.31 2037.63 2052.03 2089.78 2116.28 2137.29 2139.73 2146.75 2147.85 2148.56 2150.53 2155.18 2168.55 2175.98 2190.09 2192.42 2302.16 2367.19 2411.68 2538.02 2598.12 4349.06 4350.05 4353.43 4361.35 4370.22 4384.90 4431.18 4443.20 4449.46 4459.52 4463.56 4469.84 4470.07 4490.42 4502.75 4554.42 4556.85 4578.54 4596.78 5222.48 0.337609 0.359056 0.360000 0.286536 -956.933673 -956.912227 -956.911283 -956.984747 225.311 79.719 154.618 0.000 0.000 0.000 0.889 2.981 42.873 0.889 2.981 34.086 223.533 73.757 77.660 1 0.593 1.984 5.924 2 0.594 1.982 5.495 3 0.594 1.981 5.262 4 0.596 1.974 4.505 5 0.598 1.968 4.153 6 0.600 1.963 3.903 7 0.601 1.959 3.735 8 0.607 1.939 3.227 9 0.607 1.938 3.202 10 0.620 1.898 2.615 11 0.624 1.883 2.464 12 0.629 1.868 2.335 13 0.637 1.842 2.145 14 0.646 1.814 1.975 15 0.649 1.804 1.925 16 0.653 1.791 1.859 17 0.662 1.765 1.739 18 0.667 1.751 1.682 19 0.683 1.703 1.508 20 0.692 1.674 1.418 21 0.698 1.657 1.369 22 0.710 1.622 1.276 23 0.721 1.592 1.204 24 0.735 1.553 1.119 25 0.753 1.504 1.022 26 0.758 1.491 0.998 27 0.787 1.416 0.876 28 0.810 1.359 0.793 29 0.855 1.250 0.658 30 0.880 1.195 0.599 31 0.893 1.166 0.569 32 0.929 1.091 0.500 33 0.961 1.027 0.446 34 0.976 0.998 0.423 0.310600e+24 23.492201 54.092791 0.257332e+09 8.410494 19.365878 0.100000e+01 0.000000 0.000000 0.192254e+09 8.283876 19.074329 0.627814e+07 6.797831 15.652584 Optimization CONF12 gas ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.4623 -1.7563 -1.6206 3.4313 -121.4900 -121.6833 -132.4925 -8.1214 5.5769 -7.6881 3.7320 3.5386 -7.2706 -8.1214 5.5769 -7.6881 66.0175 6.9973 -1.9007 -16.1919 -40.1189 -40.2464 12.2965 7.1768 -13.2810 5.7212 -4934.4123 -2519.5390 -882.1860 -33.6514 37.7102 -135.4677 -69.0013 40.4931 -14.3289 -1282.6715 -1101.2074 -568.2517 -50.9377 -35.4791 14.1556 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -957.2712824 5.002E-9 2.968E-6 0.3376092 0.3590555 -956.9122269 -956.9112827 -956.9847468 -0.3275471,5.2639957,-4.9364486,4.929548,-3.205115,-6.8974378 C01 [X(C16H20N2O3)] 0.8442258 0.8852743 0.5710058 -0.9231295 -0.3169592 -0.32336 -0.4363174 -0.690738 -0.3842772 -0.4566138 -0.3775973 -0.7906667 -0.968132 -0.5094633 0.4135291 -0.2908309 -1.1068459 0.214389 0.446479 0.3651281 -0.556231 -0.7068304 0.1564086 0.2627707 0.3100286 -1.0843835 -0.2448913 0.3048302 -0.1028423 -0.543013 -0.9041796 0.0304327 0.1369048 -0.0443084 -0.4729489 -0.1006101 0.1499251 -0.0796119 -0.5548763 -1.3381953 -0.4483854 -0.4121351 -0.0280879 -0.4528372 -0.2567826 0.0632668 -0.1820321 -0.5007062 0.3502111 0.0685149 0.0637578 0.1689857 0.0258124 -0.1849288 0.0662485 -0.1458193 0.0103245 0.1502083 -0.00547 -0.0807178 0.016979 0.1276921 -0.0377049 -0.1385705 0.0190189 0.2111738 1.6450491 0.5377575 0.5007174 0.3016379 0.5976136 0.5253099 0.2324217 0.4379742 0.6953476 0.0066948 -0.012662 -0.0002102 -0.0883808 0.0469591 0.0712681 -0.016694 0.0051502 0.0421156 0.0281893 0.035095 0.0084683 0.0748479 -0.0275177 0.0132181 -0.0114934 0.0118664 0.0191374 0.0717493 0.0269729 0.0478379 -0.0211252 0.0285722 -0.0134781 0.020282 -0.0498415 0.0000135 1.1270688 0.1846182 0.038944 0.1697454 0.5531807 0.454692 0.1533373 0.399943 0.6992811 -0.0528536 -0.14451 -0.0123322 0.0346651 0.1796552 -0.0282368 -0.0134099 0.0876836 -0.0317361 -0.0384868 -0.1269704 0.0302649 -0.1673979 -0.5589709 -0.0167266 -0.0619897 -0.0795598 -0.0560429 -0.1954919 -0.2776902 0.0042615 -0.1174865 -0.2301093 0.0018249 0.0107488 0.0170331 -0.0774901 0.0888941 0.210638 -0.0003409 0.1478275 0.4892879 0.0087061 -0.0443298 -0.0463058 -0.0566046 -0.014689 0.0768259 0.0048296 -0.1175882 0.0528477 0.0214375 -0.0215926 -0.0359904 -0.083946 0.0563717 0.0668338 -0.0020801 0.0747959 -0.240828 -0.004994 0.0012119 -0.001981 -0.1180407 1.3050056 0.3716512 -0.6832212 0.0002102 1.8553727 0.1054861 -0.7253673 -0.1505091 0.770121 0.0918406 -0.0399974 0.0034234 -0.0404775 -0.0836468 0.0010258 0.0555666 0.1399187 0.110615 0.3089777 0.1418131 -0.026331 0.1702489 0.7621664 -0.1337537 -0.0350471 -0.0788121 0.2754314 -0.1236656 -0.0140805 -0.0335091 -0.047298 0.0057961 -0.0113979 -0.0402367 -0.0288951 -0.0327457 0.0566848 0.0335181 -0.0024761 0.0568494 -0.0262713 -0.0706512 0.0264192 -0.0982815 -0.0027992 0.0206658 -0.0494219 0.0952111 -0.0118951 0.018337 0.0570884 0.062669 0.0778777 -0.0603864 -0.1110297 -0.0045444 -0.0396017 -0.0310333 0.0309596 -0.0293902 -0.0632057 0.0025467 0.0705348 0.0566886 0.0494502 0.0138027 0.0664027 -0.0387363 -0.0763574 0.037201 -0.1064435 -0.0469564 -0.0611973 0.004059 -0.0716402 -0.0520507 0.0277697 -0.0306276 -0.08498 -0.0029149 0.0607047 -0.0137143 -0.057825 0.0996693 -0.0406679 0.0087643 0.0886476 0.0934283 0.1116597 -0.0689266 0.000096 -0.0373275 0.0947317 -0.0749888 0.0016562 0.0974569 0.1143514 0.0479 -0.0881057 -0.006806 0.0992908 -0.0296638 0.1190659 -0.0853291 0.0064032 -0.0621952 0.0437712 0.042956 -0.0338898 -0.0603324 -0.0950062 -0.0198165 0.0326885 -0.0389787 -0.0512105 -0.0242955 0.0456719 0.1643081 -0.0005101 0.0126573 -0.0157009 0.2211497 -0.0798847 0.0285772 -0.053681 0.2523056 0.0569546 0.0729834 -0.0057808 0.0682391 0.0216766 -0.0007869 -0.0183376 -0.0292981 0.1070823 0.0245803 0.0422646 -0.0015011 0.0597334 0.0364312 -0.0021176 0.0155902 0.0104126 0.1222814 -0.0836174 -0.0586162 -0.000306 -0.0594017 0.0485089 -0.0024282 -0.0069956 -0.0059124 0.1260741 -0.085105 -0.060499 -0.075422 0.0053809 0.0111491 0.0078146 -0.086271 -0.0550095 0.0426392 0.0739305 -0.0361823 0.0022077 -0.0506943 -0.0555838 0.0277154 0.0175411 0.0653346 -0.0731102 -0.024281 0.0742798 0.0712901 0.0034321 -0.0160886 -0.0260123 0.0421356 -0.0837389 0.0371963 0.0464529 -0.0433003 -0.0271126 -0.0576613 -0.023466 0.0391505 -0.0584759 -0.0564391 -0.0651289 -0.0035288 -0.0708511 0.0784452 -0.0212006 0.0479823 -0.0154083 0.086892 0.0086233 0.0088161 -0.0417993 0.0921907 -0.0609765 -0.0146654 -0.0377281 0.0487913 -0.0321064 0.0239699 0.0576898 255.0677973|15.0555951|230.9538501|-10.439389|5.5155055|155.6721983 -0.000002122 -0.000000981 -0.000003084 0.000000098 -0.000004326 -0.000008162 0.000006872 -0.000004471 -0.000005418 -0.000001938 -0.000000967 0.000001552 -0.000006674 -0.000006358 -0.000004117 -0.000002859 0.000007964 0.000002877 0.000000647 0.000002706 0.000001285 0.000006644 -0.000003296 0.000000055 0.000001158 -0.000002069 0.000000425 0.000001702 -0.000001790 -0.000000557 -0.000000651 -0.000003927 -0.000002068 0.000004914 0.000007751 0.000002927 -0.000000126 -0.000006528 -0.000000187 0.000000503 0.000005408 -0.000000217 -0.000001810 0.000002520 0.000001430 0.000004817 0.000000696 -0.000002179 -0.000001832 -0.000002710 0.000000184 -0.000000886 0.000001296 0.000000835 -0.000009465 0.000002131 0.000011258 -0.000001377 -0.000001622 -0.000003981 0.000004869 0.000007685 0.000002408 0.000000508 -0.000000975 0.000000813 -0.000000210 0.000000718 0.000001571 -0.000000512 0.000000419 -0.000000195 -0.000000194 0.000000021 0.000000392 -0.000000475 0.000000249 0.000000415 -0.000000252 -0.000000188 0.000000593 0.000000425 -0.000000471 0.000001582 -0.000000967 -0.000001467 -0.000000314 0.000002134 0.000001987 0.000000363 0.000000727 -0.000000100 0.000000445 -0.000000054 0.000001729 -0.000000785 -0.000000096 -0.000000366 -0.000001126 -0.000000073 0.000000694 -0.000000284 -0.000000203 -0.000000201 -0.000001158 0.000000404 -0.000000208 0.000001797 -0.000000689 0.000000735 0.000001606 -0.000000979 0.000000469 0.000001688 -0.000002254 -0.000000446 -0.000001130 0.000000012 -0.000000496 0.000000406 0.000000264 -0.000001214 -0.000001945 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8748,-1.179,-1.8474;.834,-2.0303,.6396;2.5778,-2.5446,-.6925;-1.2125,1.0067,.4471;-.7655,-.4427,-1.2218;-2.5085,.5015,-.0445;-3.2982,-.2218,1.0839;-2.1461,-.4997,-1.1602;-3.3013,1.6559,-.679;-2.5357,-1.4488,1.6049;-3.6513,.7235,2.239;-.2942,.4416,-.2409;1.1514,.7366,-.1201;2.1554,-.2493,-.1579;1.5197,2.0818,-.0384;2.8581,2.4789,-.0095;3.4962,.1459,-.1618;3.8431,1.4884,-.0845;1.8955,-1.7198,-.1284;3.2258,3.9397,.0549;.4885,-3.4283,.7092;-4.2232,-.5718,.6109;-3.4719,2.4453,.0526;-2.7453,2.0851,-1.5161;-4.2591,1.2873,-1.053;-2.3766,-2.1858,.8138;-1.5621,-1.1587,2.0083;-3.1045,-1.9368,2.4007;-4.19,.1754,3.0168;-4.2903,1.5491,1.9191;-2.7446,1.1439,2.6803;-.2066,-.9639,-1.8806;.7306,2.824,-.0061;4.2603,-.6207,-.2044;4.8907,1.7701,-.0736;4.1856,4.0867,.555;3.312,4.3595,-.9531;2.4683,4.5178,.5884;.187,-3.7917,-.275;-.3418,-3.4848,1.4081;1.3388,-4.012,1.0634; Gaussian 16 9-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C16H20N2O3)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=readoutput=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 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8748,-1.179,-1.8474;.834,-2.0303,.6396;2.5778,-2.5446,-.6925;-1.2125,1.0067,.4471;-.7655,-.4427,-1.2218;-2.5085,.5015,-.0445;-3.2982,-.2218,1.0839;-2.1461,-.4997,-1.1602;-3.3013,1.6559,-.679;-2.5357,-1.4488,1.6049;-3.6513,.7235,2.239;-.2942,.4416,-.2409;1.1514,.7366,-.1201;2.1554,-.2493,-.1579;1.5197,2.0818,-.0384;2.8581,2.4789,-.0095;3.4962,.1459,-.1618;3.8431,1.4884,-.0845;1.8955,-1.7198,-.1284;3.2258,3.9397,.0549;.4885,-3.4283,.7092;-4.2232,-.5718,.6109;-3.4719,2.4453,.0526;-2.7453,2.0851,-1.5161;-4.2591,1.2873,-1.053;-2.3766,-2.1858,.8138;-1.5621,-1.1587,2.0083;-3.1045,-1.9368,2.4007;-4.19,.1754,3.0168;-4.2903,1.5491,1.9191;-2.7446,1.1439,2.6803;-.2066,-.9639,-1.8806;.7306,2.824,-.0061;4.2603,-.6207,-.2044;4.8907,1.7701,-.0736;4.1856,4.0867,.555;3.312,4.3595,-.9531;2.4683,4.5178,.5884;.187,-3.7917,-.275;-.3418,-3.4848,1.4081;1.3388,-4.012,1.0634; oldchk=opt-b3lyp-pople.chk #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 CONF12 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 16 16 16 14 14 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 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 2 2 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 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 603 A 582 A 582 916 603 77 77 1744.3967921967 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0466480823 0.000000 4.545875 0.000000 5.738411 2.253796 0.000000 3.578487 3.667237 5.317593 0.000000 2.320020 2.923026 3.984533 2.255157 0.000000 2.491760 4.248588 5.963984 1.475307 2.305494 0.000000 3.112537 4.532519 6.563437 2.503012 3.432120 1.555688 0.000000 1.210224 3.803020 5.168690 2.392616 1.383080 1.542308 2.537853 0.000000 3.095760 5.694525 7.225544 2.460260 3.335958 1.537413 2.575498 2.492555 0.000000 3.479385 3.553211 5.712001 3.020121 3.483723 2.554454 1.535741 2.949338 3.929545 0.000000 4.573969 5.500898 7.620754 3.039532 4.654526 2.563133 1.533820 3.913660 3.083202 2.523036 0.000000 3.444809 2.856288 4.167679 1.279092 1.402210 2.223811 3.349571 2.271735 3.272524 3.464890 4.183274 0.000000 4.781599 2.886863 3.623380 2.445972 2.505844 3.668233 4.708275 3.672062 4.580876 4.620322 5.350872 1.480344 0.000000 5.387180 2.356711 2.394330 3.645024 3.114693 4.725295 5.593304 4.423823 5.803205 5.152991 6.356827 2.546493 1.407641 0.000000 5.763449 4.223673 4.790747 2.976004 3.604978 4.327104 5.457020 4.621807 4.882064 5.622533 5.811286 2.453897 1.397064 2.419162 0.000000 7.044429 4.985097 5.077494 4.352624 4.809968 5.719366 6.810993 5.936164 6.250119 6.864903 7.106976 3.760437 2.441381 2.821131 1.396307 0.000000 6.722049 3.530619 2.892059 4.825281 4.430846 6.016333 6.917462 5.766184 6.982395 6.484501 7.562019 3.802698 2.418391 1.397812 2.769359 2.423493 0.000000 7.440006 4.686214 4.270416 5.106252 5.124702 6.427946 7.435668 6.401620 7.171115 7.222994 7.883526 4.270553 2.794941 2.423526 2.398406 1.398915 1.388804 0.000000 5.099336 1.346454 1.209945 4.174308 3.147706 4.933220 5.539749 4.346011 6.221394 4.765904 6.507050 3.078820 2.566720 1.493636 3.821234 4.309307 2.458506 3.753425 0.000000 8.187653 6.457843 6.559389 5.334288 6.063511 6.686769 7.806404 7.074076 6.954000 8.039541 7.899882 4.971385 3.820124 4.328841 2.524122 1.507773 3.809633 2.531675 5.816699 0.000000 4.786106 1.441727 2.666605 4.757199 3.770330 4.999317 4.976049 4.360271 6.491387 3.723755 6.059329 4.060927 4.298134 3.692775 5.655399 6.405194 4.751825 6.004819 2.366459 7.887241 0.000000 2.868846 5.263389 7.200280 3.403377 3.915468 2.126488 1.096216 2.730680 2.734281 2.145814 2.157672 4.146065 5.579703 6.432851 6.359609 7.735391 7.791085 8.354264 6.269208 8.726425 5.510766 0.000000 4.135483 6.238297 7.877375 2.707418 4.157950 2.171584 2.864786 3.449918 1.089725 4.295366 2.788698 3.768138 4.931971 6.242711 5.005665 6.330355 7.340792 7.378600 6.796323 6.862370 7.114373 3.158994 0.000000 3.283504 5.864760 7.102709 2.714192 3.224241 2.174739 3.519596 2.677192 1.092822 4.719490 4.095781 3.214862 4.353343 5.595635 4.513759 5.815711 6.674640 6.768519 6.159604 6.446815 6.768091 3.710531 1.765917 0.000000 2.937678 6.309576 7.845779 3.407474 3.902032 2.167719 2.786856 2.769415 1.092254 4.185742 3.394727 4.134627 5.517886 6.656415 5.920764 7.291283 7.889306 8.162373 6.912061 8.017881 6.919598 2.495228 1.784108 1.772762 0.000000 2.888543 3.219132 5.190756 3.417826 3.126944 2.824118 2.186196 2.606273 4.223922 1.092801 3.481368 3.514553 4.675465 5.023301 5.841245 7.059689 6.393632 7.279568 4.399552 8.335743 3.124672 2.460824 4.819299 4.879043 4.369257 0.000000 4.073062 2.893856 5.133562 2.692300 3.403052 2.804646 2.178667 3.288584 4.262413 1.093104 2.821507 3.037694 3.935204 4.397641 4.918099 6.069749 5.656647 6.372093 4.103085 7.261784 3.323147 3.062413 4.523367 4.933954 4.756879 1.773429 0.000000 4.321293 4.315330 6.498104 4.007527 4.563529 3.504256 2.170917 3.957788 4.736078 1.093106 2.720756 4.531312 5.622691 6.087732 6.594069 7.801255 7.380574 8.134952 5.607434 8.950314 4.242047 2.513559 4.985105 5.625525 4.863719 1.763539 1.771522 0.000000 5.217733 5.979754 8.182950 4.019975 5.484062 3.507944 2.165481 4.699062 4.079262 2.714443 1.093497 5.085422 6.219867 7.108007 6.750585 8.008803 8.317613 8.710561 7.107607 8.828214 6.340329 2.519443 3.801936 5.126570 4.219500 3.703595 3.114968 2.453414 0.000000 4.861388 6.380283 8.411284 3.454562 5.124105 2.850999 2.194969 4.275268 2.782025 3.487793 1.091850 4.675633 5.867807 7.006809 6.154053 7.462149 8.181001 8.376803 7.289894 8.104438 7.005333 2.492829 2.226422 3.804642 2.983797 4.339696 3.844899 3.713409 1.761243 0.000000 5.090513 5.200646 7.301287 2.711722 4.654086 2.809485 2.172643 4.220160 3.443415 2.814671 1.092526 3.877068 4.815345 5.831512 5.143526 6.356700 6.929738 7.152693 6.133556 7.096113 5.936560 3.067956 3.021195 4.300709 4.031372 3.834827 2.674314 3.114192 1.772154 1.769979 0.000000 2.677080 2.927674 3.415122 3.211430 1.009017 3.288974 4.347071 2.120380 4.229004 4.220047 5.628879 2.161354 2.799131 3.009525 3.956004 4.974505 4.230387 5.063592 2.839081 6.290695 3.641879 4.742838 5.101168 3.984287 4.709078 3.669039 4.122939 5.260601 6.414846 6.117982 5.629053 0.000000 5.693315 4.898179 5.718880 2.698843 3.793105 3.985884 5.166906 4.544765 4.251372 5.614436 5.352922 2.604108 2.132419 3.390906 1.083796 2.155259 3.852911 3.387854 4.692397 2.733921 6.297747 6.037623 4.219955 3.861092 5.324928 5.951916 5.017631 6.570092 6.353451 5.526466 4.702880 4.329000 0.000000 7.343062 3.799828 2.602069 5.746634 5.130876 6.863014 7.677889 6.478409 7.911122 7.081343 8.388680 4.676827 3.393273 2.137889 3.852452 3.407545 1.083160 2.153285 2.608858 4.683426 4.789996 8.522694 8.321802 7.623647 8.771538 6.894559 6.251838 7.922013 9.078414 9.073562 7.778396 4.783334 4.935938 0.000000 8.493889 5.604292 4.934484 6.172728 6.181226 7.507180 8.506820 7.473214 8.215164 8.266242 8.911171 5.354966 3.879715 3.400978 3.385523 2.153623 2.142508 1.084814 4.599296 2.737866 6.856764 9.434821 8.390742 7.777420 9.214700 8.321665 7.385837 9.153450 9.723860 9.397370 8.140885 6.059844 4.292027 2.475884 0.000000 9.129560 6.975548 6.936587 6.215892 6.941633 7.617325 8.651637 8.004244 7.967817 8.770460 8.692727 5.829999 4.570012 4.840546 3.388017 2.160120 4.064393 2.697653 6.279148 1.092213 8.376621 9.613158 7.847528 7.505536 9.040760 9.081509 7.915964 9.635043 9.566090 8.952158 7.823339 7.122642 3.721030 4.768815 2.501858 0.000000 8.351699 7.036068 6.947942 5.802779 6.305462 7.041789 8.296509 7.310625 7.149859 8.629918 8.479165 5.372270 4.299609 4.817749 3.039157 2.152407 4.291198 3.046229 6.296400 1.095323 8.448943 9.140156 7.120115 6.494604 8.171248 8.849985 7.935783 9.594867 9.462909 8.598971 7.760386 6.448153 3.149227 5.124608 3.157683 1.764100 0.000000 8.181412 6.749178 7.178491 5.088803 6.191986 6.426454 7.480802 7.037465 6.563966 7.853319 7.387181 4.993455 4.066119 4.835290 2.688259 2.160223 4.553353 3.394111 6.304771 1.092017 8.189917 8.407193 6.314119 6.126017 7.641213 8.274180 7.105155 8.717917 8.311886 7.500860 6.552399 6.580246 2.498359 5.499402 3.722416 1.770895 1.764330 0.000000 4.321196 2.087465 2.728618 5.050181 3.608286 5.074466 5.170811 4.130811 6.481289 4.054154 6.437360 4.260648 4.632475 4.054250 6.027437 6.820953 5.144719 6.425211 2.689438 8.313713 1.091608 5.531884 7.238389 6.683977 6.794723 3.215050 3.899368 4.629661 6.762524 7.306432 6.456616 3.275535 6.643439 5.162579 7.286865 8.873950 8.755954 8.660101 0.000000 4.725560 2.022042 3.717536 4.674956 4.043597 4.763984 4.415097 4.331558 6.288185 2.999577 5.417892 4.258883 4.731365 4.376851 6.045230 6.914809 5.511496 6.668910 3.237488 8.347588 1.086702 4.917944 6.841123 6.734401 6.646412 2.486229 2.694460 3.318764 5.549244 6.418108 5.368146 4.145914 6.553728 5.655297 7.562264 8.863001 8.969828 8.521172 1.790673 0.000000 5.852593 2.088460 2.602153 5.663623 4.731902 6.033356 5.989051 5.424488 7.529397 4.677135 6.979194 4.919613 4.897532 4.039384 6.195293 6.752161 4.841877 6.151782 2.642793 8.234577 1.090547 6.555572 8.115515 7.778767 7.993619 4.147546 4.177280 5.083115 7.205469 7.958988 6.772927 4.510672 6.945894 4.652276 6.880501 8.599565 8.834127 8.617413 1.779455 1.794772 0.000000 C16H20N2O3 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 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8793,.6004,2.1272;.3361,2.1896,-.6657;2.0268,3.1013,.5133;-.97,-1.2168,-.293;-.718,.3303,1.3283;-2.3008,-.9972,.3046;-3.3196,-.4884,-.7553;-2.0777,.0826,1.383;-2.7661,-2.2833,1.0068;-2.8906,.8644,-1.3421;-3.5492,-1.5124,-1.8739;-.1454,-.45,.3137;1.3149,-.424,.0724;2.0772,.7583,.0227;1.962,-1.6574,-.0363;3.348,-1.7525,-.1767;3.4678,.6663,-.0852;4.0939,-.5691,-.1878;1.4989,2.1354,.011;4.0213,-3.0985,-.2679;-.3128,3.4763,-.7099;-4.2571,-.3392,-.2071;-2.8179,-3.1063,.2944;-2.0629,-2.5626,1.7953;-3.7476,-2.1254,1.4591;-2.8334,1.635,-.5693;-1.9132,.7859,-1.8252;-3.6156,1.1991,-2.0886;-4.2569,-1.112,-2.6051;-3.9628,-2.4507,-1.499;-2.6113,-1.7334,-2.3889;-.2355,.9751,1.9362;1.3555,-2.5548,0;4.0456,1.5822,-.1094;5.1733,-.6149,-.286;4.9459,-3.0425,-.8466;4.2796,-3.4677,.7305;3.3686,-3.8395,-.7339;-.6056,3.7857,.2952;-1.1894,3.3349,-1.3365;.3566,4.2243,-1.136; 0.4334271 0.2398305 0.1838458 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= 582 RedAO= T EigKep= 1.23D-06 NBF= 582 NBsUse= 579 1.00D-06 EigRej= 7.54D-07 NBFU= 579 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= 602 602 602 602 602 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -957.271282439101 -957.271282439 1 9.532715687287e+02 -5.719419592795e+03 2.064526597513e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323881972 LenY= 11323517760 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. PT232.100S Mon Sep 9 14:18:38 2024 -19.18406 -19.12652 -19.11050 -14.36631 -14.30517 -10.31922 -10.28463 -10.26739 -10.23528 -10.22038 -10.21864 -10.21383 -10.21045 -10.20124 -10.19682 -10.19673 -10.18577 -10.18351 -10.17036 -10.15771 -10.15586 -1.12589 -1.06516 -1.03769 -1.00514 -0.89371 -0.89126 -0.82243 -0.81022 -0.78365 -0.75523 -0.74735 -0.71154 -0.69576 -0.68080 -0.64399 -0.63190 -0.61676 -0.60579 -0.58885 -0.56218 -0.55314 -0.51726 -0.51099 -0.49981 -0.49264 -0.48409 -0.47973 -0.47100 -0.45442 -0.45360 -0.44372 -0.44144 -0.43592 -0.43311 -0.42076 -0.41597 -0.40630 -0.39495 -0.39099 -0.38949 -0.38419 -0.38211 -0.37956 -0.37537 -0.36878 -0.35348 -0.34310 -0.33944 -0.33526 -0.32376 -0.31089 -0.30166 -0.28317 -0.27207 -0.25830 -0.25531 -0.07196 -0.04753 -0.01332 -0.00602 0.00177 0.00896 0.00961 0.01314 0.01787 0.02648 0.02671 0.02962 0.03850 0.03973 0.04301 0.04508 0.04882 0.05480 0.05782 0.06074 0.06656 0.06790 0.07260 0.07651 0.08251 0.08475 0.08711 0.09197 0.09605 0.09941 0.10137 0.10305 0.10985 0.11172 0.11670 0.12019 0.12346 0.12405 0.13554 0.13674 0.13954 0.14237 0.14362 0.14688 0.14862 0.15235 0.15765 0.16163 0.16292 0.16407 0.16937 0.17618 0.17717 0.17919 0.18451 0.18665 0.18731 0.19338 0.19501 0.19670 0.20297 0.20631 0.20860 0.21067 0.21388 0.21478 0.22255 0.22349 0.22588 0.22741 0.22827 0.23360 0.23427 0.23800 0.24345 0.24507 0.24951 0.25207 0.25546 0.25664 0.25963 0.26209 0.26573 0.26948 0.27239 0.27289 0.27466 0.27498 0.28296 0.28627 0.29053 0.29716 0.29863 0.30018 0.30455 0.31100 0.31541 0.31821 0.32429 0.32781 0.32995 0.33314 0.33603 0.34065 0.34297 0.34787 0.35383 0.35940 0.36593 0.36667 0.36907 0.37379 0.38431 0.39287 0.39671 0.39863 0.41124 0.41188 0.41787 0.42491 0.42776 0.43533 0.44480 0.44908 0.45247 0.46018 0.47800 0.48272 0.48468 0.49740 0.49948 0.50420 0.51184 0.51610 0.52117 0.52856 0.53350 0.53788 0.54886 0.55473 0.55699 0.56915 0.57296 0.57565 0.58591 0.58781 0.59334 0.60390 0.61321 0.61899 0.62246 0.63106 0.63420 0.63889 0.64273 0.64592 0.64915 0.65306 0.66697 0.66918 0.67600 0.68118 0.68167 0.68941 0.68997 0.69520 0.69962 0.70693 0.70769 0.71355 0.71767 0.72340 0.72428 0.73243 0.74311 0.74776 0.74920 0.75644 0.75973 0.76186 0.76638 0.77218 0.78722 0.79855 0.80469 0.81439 0.81766 0.82684 0.83143 0.84399 0.84968 0.85881 0.85980 0.88562 0.89646 0.90092 0.91147 0.92071 0.93191 0.94050 0.94934 0.96002 0.97163 0.98363 0.99021 0.99861 1.00305 1.01141 1.02127 1.03041 1.03478 1.04410 1.04954 1.05777 1.07388 1.08006 1.08884 1.09063 1.11371 1.11707 1.13530 1.14761 1.16219 1.16788 1.18938 1.19400 1.19805 1.20282 1.20816 1.22791 1.23817 1.24228 1.25716 1.27345 1.28298 1.28843 1.30736 1.31384 1.32832 1.34211 1.34747 1.35061 1.36407 1.37308 1.38664 1.39244 1.40385 1.42244 1.43415 1.45036 1.46537 1.46581 1.47484 1.48240 1.49030 1.49525 1.50331 1.51355 1.52554 1.52812 1.53430 1.54219 1.54766 1.55153 1.55505 1.56456 1.56529 1.57041 1.58605 1.59019 1.59328 1.60484 1.60893 1.61554 1.62202 1.63989 1.64173 1.65029 1.65954 1.66463 1.67363 1.67915 1.68551 1.69302 1.69581 1.70898 1.71871 1.72631 1.73472 1.74342 1.75252 1.75884 1.76592 1.77923 1.78198 1.79453 1.80239 1.81170 1.82085 1.82868 1.82937 1.83550 1.84849 1.86356 1.86739 1.88289 1.89194 1.89821 1.91129 1.92739 1.93121 1.94950 1.95762 1.96435 1.98495 1.98869 1.99151 2.00447 2.00827 2.02194 2.04574 2.06011 2.06883 2.07015 2.07805 2.08555 2.10100 2.11700 2.13449 2.15380 2.15818 2.16882 2.18236 2.19863 2.20275 2.22129 2.22941 2.25071 2.26552 2.28749 2.30672 2.31578 2.32552 2.34348 2.35577 2.35984 2.39442 2.40335 2.41518 2.41932 2.42587 2.43133 2.44183 2.46777 2.48539 2.50247 2.51003 2.52045 2.52661 2.52821 2.53255 2.54306 2.54762 2.55126 2.56739 2.57823 2.58292 2.58805 2.59321 2.59508 2.61396 2.61837 2.63161 2.63391 2.64040 2.65332 2.67394 2.68354 2.69057 2.70604 2.71212 2.71575 2.72016 2.73182 2.73757 2.76736 2.77670 2.79351 2.80641 2.81287 2.82215 2.83661 2.84128 2.84697 2.85262 2.86430 2.86598 2.88225 2.88743 2.89447 2.90345 2.92042 2.92432 2.93305 2.95060 2.95892 2.97693 2.99130 3.00569 3.01405 3.02307 3.04533 3.05142 3.08003 3.09577 3.10495 3.11921 3.15653 3.16383 3.17886 3.20434 3.20802 3.23452 3.24838 3.26869 3.30578 3.33974 3.36203 3.37651 3.39150 3.40147 3.42929 3.49127 3.52669 3.54353 3.56411 3.58871 3.60574 3.64715 3.66176 3.68177 3.74766 3.77486 3.78950 3.79121 3.79898 3.81125 3.81513 3.81729 3.82688 3.85258 3.85839 3.86698 3.96945 3.98555 4.03112 4.03963 4.05302 4.09915 4.12666 4.17213 4.19758 4.24083 4.29701 4.31830 4.34846 4.36461 4.58837 4.80270 4.83859 4.89372 5.07006 5.10093 5.14137 5.18682 5.22150 5.29194 5.41568 5.62314 5.82610 5.86266 23.58040 23.79395 23.84302 23.84388 23.89770 23.90833 23.92099 23.93982 23.94143 23.96137 23.97422 23.98785 24.01280 24.04411 24.08089 24.15934 35.58047 35.73965 49.89371 50.01021 50.06877 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 O O O N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.312622 0.005075 -0.236393 0.217190 -0.057734 0.518433 -0.101322 -0.166367 -0.379725 -0.398186 -0.593706 -0.448905 0.416664 0.474602 -0.041338 -0.015011 -0.230015 -0.721982 -0.530215 -0.432328 -0.184467 0.161763 0.160807 0.151132 0.170270 0.135297 0.158361 0.142241 0.137244 0.135174 0.168140 0.300943 0.145285 0.148174 0.129883 0.147605 0.178077 0.152458 0.164258 0.164431 0.166809 -0.00000 2.4623 -1.7563 -1.6206 3.4313 -121.4899 -121.6833 -132.4925 -8.1214 5.5768 -7.6881 3.7320 3.5386 -7.2706 -8.1214 5.5768 -7.6881 66.0175 6.9974 -1.9007 -16.1919 -40.1189 -40.2463 12.2965 7.1768 -13.2810 5.7212 -4934.4118 -2519.5388 -882.1860 -33.6515 37.7100 -135.4676 -69.0013 40.4930 -14.3289 -1282.6714 -1101.2074 -568.2517 -50.9377 -35.4791 14.1556 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-FUENTE ALCAMI 2024-09-09T00:00:00.000 0 Wavefunction CONF12 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-957.2712824 RMSD=9.189e-09 Dipole=0.8442251,0.8852746,0.5710056 Quadrupole=-0.3275242,5.2639898,-4.9364656,4.9295565,-3.2051112,-6.897431 PG=C01 [X(C16H20N2O3)] 0 -2.8747796157 -1.1790375365 -1.8473974355 0 0.8340254992 -2.0303144117 0.6395832703 0 2.5777958709 -2.5446454384 -0.692455192 0 -1.2124679477 1.0066990159 0.4471269084 0 -0.7655434455 -0.4426554103 -1.2218134794 0 -2.5084699182 0.5015291222 -0.0445168292 0 -3.2982392966 -0.2217970639 1.0838579122 0 -2.146072031 -0.4997473806 -1.1602348471 0 -3.301331103 1.6558514953 -0.6789852943 0 -2.5357430884 -1.4488301787 1.6049039453 0 -3.6512951389 0.7235448186 2.2389701526 0 -0.2941617161 0.4415793614 -0.2409358546 0 1.1514396716 0.7366417176 -0.1201394038 0 2.1554152856 -0.2492902791 -0.1578939734 0 1.5197468552 2.0818030514 -0.03841901 0 2.8580865133 2.4788999936 -0.0095387828 0 3.4961970831 0.1458886222 -0.1618225377 0 3.8431370184 1.4884336415 -0.0844777003 0 1.8955196156 -1.7198457139 -0.128387522 0 3.2257952552 3.9397251184 0.0549492123 0 0.4884683056 -3.42828334 0.7092141309 0 -4.2231762788 -0.571836452 0.6109376908 0 -3.4718739222 2.4452878447 0.0525926339 0 -2.7452787812 2.0851434265 -1.5161074062 0 -4.2590755712 1.2872545793 -1.0529904251 0 -2.3766277757 -2.1857624437 0.8138108803 0 -1.5620923153 -1.1587183062 2.0082833399 0 -3.1044584875 -1.9367770655 2.4007377889 0 -4.190036986 0.1753852454 3.0167959303 0 -4.2902937232 1.5490879653 1.9191323763 0 -2.7445875512 1.1438904384 2.6803364282 0 -0.2065645253 -0.9638957109 -1.8805747162 0 0.7306414711 2.8240181198 -0.006116787 0 4.2602906147 -0.6206532693 -0.2043677203 0 4.8907021329 1.770055201 -0.0736188886 0 4.185603181 4.0867150687 0.5550412728 0 3.3119700953 4.3594807874 -0.9530747264 0 2.4683035884 4.5178087045 0.5883591843 0 0.1869821717 -3.79167719 -0.27499029 0 -0.3417707379 -3.4848089755 1.4080908772 0 1.3388192235 -4.012047671 1.0633549494 Gaussian 16 9-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C16H20N2O3)] 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 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8748,-1.179,-1.8474;.834,-2.0303,.6396;2.5778,-2.5446,-.6925;-1.2125,1.0067,.4471;-.7655,-.4427,-1.2218;-2.5085,.5015,-.0445;-3.2982,-.2218,1.0839;-2.1461,-.4997,-1.1602;-3.3013,1.6559,-.679;-2.5357,-1.4488,1.6049;-3.6513,.7235,2.239;-.2942,.4416,-.2409;1.1514,.7366,-.1201;2.1554,-.2493,-.1579;1.5197,2.0818,-.0384;2.8581,2.4789,-.0095;3.4962,.1459,-.1618;3.8431,1.4884,-.0845;1.8955,-1.7198,-.1284;3.2258,3.9397,.0549;.4885,-3.4283,.7092;-4.2232,-.5718,.6109;-3.4719,2.4453,.0526;-2.7453,2.0851,-1.5161;-4.2591,1.2873,-1.053;-2.3766,-2.1858,.8138;-1.5621,-1.1587,2.0083;-3.1045,-1.9368,2.4007;-4.19,.1754,3.0168;-4.2903,1.5491,1.9191;-2.7446,1.1439,2.6803;-.2066,-.9639,-1.8806;.7306,2.824,-.0061;4.2603,-.6207,-.2044;4.8907,1.7701,-.0736;4.1856,4.0867,.555;3.312,4.3595,-.9531;2.4683,4.5178,.5884;.187,-3.7917,-.275;-.3418,-3.4848,1.4081;1.3388,-4.012,1.0634; oldchk=opt-b3lyp-pople.chk #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 CONF12 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 16 16 16 14 14 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 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 2 2 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 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 603 A 582 A 582 916 603 77 77 1744.3967921967 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0466480823 0.000000 4.545875 0.000000 5.738411 2.253796 0.000000 3.578487 3.667237 5.317593 0.000000 2.320020 2.923026 3.984533 2.255157 0.000000 2.491760 4.248588 5.963984 1.475307 2.305494 0.000000 3.112537 4.532519 6.563437 2.503012 3.432120 1.555688 0.000000 1.210224 3.803020 5.168690 2.392616 1.383080 1.542308 2.537853 0.000000 3.095760 5.694525 7.225544 2.460260 3.335958 1.537413 2.575498 2.492555 0.000000 3.479385 3.553211 5.712001 3.020121 3.483723 2.554454 1.535741 2.949338 3.929545 0.000000 4.573969 5.500898 7.620754 3.039532 4.654526 2.563133 1.533820 3.913660 3.083202 2.523036 0.000000 3.444809 2.856288 4.167679 1.279092 1.402210 2.223811 3.349571 2.271735 3.272524 3.464890 4.183274 0.000000 4.781599 2.886863 3.623380 2.445972 2.505844 3.668233 4.708275 3.672062 4.580876 4.620322 5.350872 1.480344 0.000000 5.387180 2.356711 2.394330 3.645024 3.114693 4.725295 5.593304 4.423823 5.803205 5.152991 6.356827 2.546493 1.407641 0.000000 5.763449 4.223673 4.790747 2.976004 3.604978 4.327104 5.457020 4.621807 4.882064 5.622533 5.811286 2.453897 1.397064 2.419162 0.000000 7.044429 4.985097 5.077494 4.352624 4.809968 5.719366 6.810993 5.936164 6.250119 6.864903 7.106976 3.760437 2.441381 2.821131 1.396307 0.000000 6.722049 3.530619 2.892059 4.825281 4.430846 6.016333 6.917462 5.766184 6.982395 6.484501 7.562019 3.802698 2.418391 1.397812 2.769359 2.423493 0.000000 7.440006 4.686214 4.270416 5.106252 5.124702 6.427946 7.435668 6.401620 7.171115 7.222994 7.883526 4.270553 2.794941 2.423526 2.398406 1.398915 1.388804 0.000000 5.099336 1.346454 1.209945 4.174308 3.147706 4.933220 5.539749 4.346011 6.221394 4.765904 6.507050 3.078820 2.566720 1.493636 3.821234 4.309307 2.458506 3.753425 0.000000 8.187653 6.457843 6.559389 5.334288 6.063511 6.686769 7.806404 7.074076 6.954000 8.039541 7.899882 4.971385 3.820124 4.328841 2.524122 1.507773 3.809633 2.531675 5.816699 0.000000 4.786106 1.441727 2.666605 4.757199 3.770330 4.999317 4.976049 4.360271 6.491387 3.723755 6.059329 4.060927 4.298134 3.692775 5.655399 6.405194 4.751825 6.004819 2.366459 7.887241 0.000000 2.868846 5.263389 7.200280 3.403377 3.915468 2.126488 1.096216 2.730680 2.734281 2.145814 2.157672 4.146065 5.579703 6.432851 6.359609 7.735391 7.791085 8.354264 6.269208 8.726425 5.510766 0.000000 4.135483 6.238297 7.877375 2.707418 4.157950 2.171584 2.864786 3.449918 1.089725 4.295366 2.788698 3.768138 4.931971 6.242711 5.005665 6.330355 7.340792 7.378600 6.796323 6.862370 7.114373 3.158994 0.000000 3.283504 5.864760 7.102709 2.714192 3.224241 2.174739 3.519596 2.677192 1.092822 4.719490 4.095781 3.214862 4.353343 5.595635 4.513759 5.815711 6.674640 6.768519 6.159604 6.446815 6.768091 3.710531 1.765917 0.000000 2.937678 6.309576 7.845779 3.407474 3.902032 2.167719 2.786856 2.769415 1.092254 4.185742 3.394727 4.134627 5.517886 6.656415 5.920764 7.291283 7.889306 8.162373 6.912061 8.017881 6.919598 2.495228 1.784108 1.772762 0.000000 2.888543 3.219132 5.190756 3.417826 3.126944 2.824118 2.186196 2.606273 4.223922 1.092801 3.481368 3.514553 4.675465 5.023301 5.841245 7.059689 6.393632 7.279568 4.399552 8.335743 3.124672 2.460824 4.819299 4.879043 4.369257 0.000000 4.073062 2.893856 5.133562 2.692300 3.403052 2.804646 2.178667 3.288584 4.262413 1.093104 2.821507 3.037694 3.935204 4.397641 4.918099 6.069749 5.656647 6.372093 4.103085 7.261784 3.323147 3.062413 4.523367 4.933954 4.756879 1.773429 0.000000 4.321293 4.315330 6.498104 4.007527 4.563529 3.504256 2.170917 3.957788 4.736078 1.093106 2.720756 4.531312 5.622691 6.087732 6.594069 7.801255 7.380574 8.134952 5.607434 8.950314 4.242047 2.513559 4.985105 5.625525 4.863719 1.763539 1.771522 0.000000 5.217733 5.979754 8.182950 4.019975 5.484062 3.507944 2.165481 4.699062 4.079262 2.714443 1.093497 5.085422 6.219867 7.108007 6.750585 8.008803 8.317613 8.710561 7.107607 8.828214 6.340329 2.519443 3.801936 5.126570 4.219500 3.703595 3.114968 2.453414 0.000000 4.861388 6.380283 8.411284 3.454562 5.124105 2.850999 2.194969 4.275268 2.782025 3.487793 1.091850 4.675633 5.867807 7.006809 6.154053 7.462149 8.181001 8.376803 7.289894 8.104438 7.005333 2.492829 2.226422 3.804642 2.983797 4.339696 3.844899 3.713409 1.761243 0.000000 5.090513 5.200646 7.301287 2.711722 4.654086 2.809485 2.172643 4.220160 3.443415 2.814671 1.092526 3.877068 4.815345 5.831512 5.143526 6.356700 6.929738 7.152693 6.133556 7.096113 5.936560 3.067956 3.021195 4.300709 4.031372 3.834827 2.674314 3.114192 1.772154 1.769979 0.000000 2.677080 2.927674 3.415122 3.211430 1.009017 3.288974 4.347071 2.120380 4.229004 4.220047 5.628879 2.161354 2.799131 3.009525 3.956004 4.974505 4.230387 5.063592 2.839081 6.290695 3.641879 4.742838 5.101168 3.984287 4.709078 3.669039 4.122939 5.260601 6.414846 6.117982 5.629053 0.000000 5.693315 4.898179 5.718880 2.698843 3.793105 3.985884 5.166906 4.544765 4.251372 5.614436 5.352922 2.604108 2.132419 3.390906 1.083796 2.155259 3.852911 3.387854 4.692397 2.733921 6.297747 6.037623 4.219955 3.861092 5.324928 5.951916 5.017631 6.570092 6.353451 5.526466 4.702880 4.329000 0.000000 7.343062 3.799828 2.602069 5.746634 5.130876 6.863014 7.677889 6.478409 7.911122 7.081343 8.388680 4.676827 3.393273 2.137889 3.852452 3.407545 1.083160 2.153285 2.608858 4.683426 4.789996 8.522694 8.321802 7.623647 8.771538 6.894559 6.251838 7.922013 9.078414 9.073562 7.778396 4.783334 4.935938 0.000000 8.493889 5.604292 4.934484 6.172728 6.181226 7.507180 8.506820 7.473214 8.215164 8.266242 8.911171 5.354966 3.879715 3.400978 3.385523 2.153623 2.142508 1.084814 4.599296 2.737866 6.856764 9.434821 8.390742 7.777420 9.214700 8.321665 7.385837 9.153450 9.723860 9.397370 8.140885 6.059844 4.292027 2.475884 0.000000 9.129560 6.975548 6.936587 6.215892 6.941633 7.617325 8.651637 8.004244 7.967817 8.770460 8.692727 5.829999 4.570012 4.840546 3.388017 2.160120 4.064393 2.697653 6.279148 1.092213 8.376621 9.613158 7.847528 7.505536 9.040760 9.081509 7.915964 9.635043 9.566090 8.952158 7.823339 7.122642 3.721030 4.768815 2.501858 0.000000 8.351699 7.036068 6.947942 5.802779 6.305462 7.041789 8.296509 7.310625 7.149859 8.629918 8.479165 5.372270 4.299609 4.817749 3.039157 2.152407 4.291198 3.046229 6.296400 1.095323 8.448943 9.140156 7.120115 6.494604 8.171248 8.849985 7.935783 9.594867 9.462909 8.598971 7.760386 6.448153 3.149227 5.124608 3.157683 1.764100 0.000000 8.181412 6.749178 7.178491 5.088803 6.191986 6.426454 7.480802 7.037465 6.563966 7.853319 7.387181 4.993455 4.066119 4.835290 2.688259 2.160223 4.553353 3.394111 6.304771 1.092017 8.189917 8.407193 6.314119 6.126017 7.641213 8.274180 7.105155 8.717917 8.311886 7.500860 6.552399 6.580246 2.498359 5.499402 3.722416 1.770895 1.764330 0.000000 4.321196 2.087465 2.728618 5.050181 3.608286 5.074466 5.170811 4.130811 6.481289 4.054154 6.437360 4.260648 4.632475 4.054250 6.027437 6.820953 5.144719 6.425211 2.689438 8.313713 1.091608 5.531884 7.238389 6.683977 6.794723 3.215050 3.899368 4.629661 6.762524 7.306432 6.456616 3.275535 6.643439 5.162579 7.286865 8.873950 8.755954 8.660101 0.000000 4.725560 2.022042 3.717536 4.674956 4.043597 4.763984 4.415097 4.331558 6.288185 2.999577 5.417892 4.258883 4.731365 4.376851 6.045230 6.914809 5.511496 6.668910 3.237488 8.347588 1.086702 4.917944 6.841123 6.734401 6.646412 2.486229 2.694460 3.318764 5.549244 6.418108 5.368146 4.145914 6.553728 5.655297 7.562264 8.863001 8.969828 8.521172 1.790673 0.000000 5.852593 2.088460 2.602153 5.663623 4.731902 6.033356 5.989051 5.424488 7.529397 4.677135 6.979194 4.919613 4.897532 4.039384 6.195293 6.752161 4.841877 6.151782 2.642793 8.234577 1.090547 6.555572 8.115515 7.778767 7.993619 4.147546 4.177280 5.083115 7.205469 7.958988 6.772927 4.510672 6.945894 4.652276 6.880501 8.599565 8.834127 8.617413 1.779455 1.794772 0.000000 C16H20N2O3 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 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8793,.6004,2.1272;.3361,2.1896,-.6657;2.0268,3.1013,.5133;-.97,-1.2168,-.293;-.718,.3303,1.3283;-2.3008,-.9972,.3046;-3.3196,-.4884,-.7553;-2.0777,.0826,1.383;-2.7661,-2.2833,1.0068;-2.8906,.8644,-1.3421;-3.5492,-1.5124,-1.8739;-.1454,-.45,.3137;1.3149,-.424,.0724;2.0772,.7583,.0227;1.962,-1.6574,-.0363;3.348,-1.7525,-.1767;3.4678,.6663,-.0852;4.0939,-.5691,-.1878;1.4989,2.1354,.011;4.0213,-3.0985,-.2679;-.3128,3.4763,-.7099;-4.2571,-.3392,-.2071;-2.8179,-3.1063,.2944;-2.0629,-2.5626,1.7953;-3.7476,-2.1254,1.4591;-2.8334,1.635,-.5693;-1.9132,.7859,-1.8252;-3.6156,1.1991,-2.0886;-4.2569,-1.112,-2.6051;-3.9628,-2.4507,-1.499;-2.6113,-1.7334,-2.3889;-.2355,.9751,1.9362;1.3555,-2.5548,0;4.0456,1.5822,-.1094;5.1733,-.6149,-.286;4.9459,-3.0425,-.8466;4.2796,-3.4677,.7305;3.3686,-3.8395,-.7339;-.6056,3.7857,.2952;-1.1894,3.3349,-1.3365;.3566,4.2243,-1.136; 0.4334271 0.2398305 0.1838458 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= 582 RedAO= T EigKep= 1.23D-06 NBF= 582 NBsUse= 579 1.00D-06 EigRej= 7.54D-07 NBFU= 579 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= 602 602 602 602 602 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -957.271282439101 -957.271282439 1 9.532715687287e+02 -5.719419592795e+03 2.064526597513e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323881972 LenY= 11323517760 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 4.1800 296.61 0.0030 0.000 77 78 0.66980 77 79 0.14184 77 80 0.13733 -957.117669552 2 Singlet-A 4.4438 279.01 0.0597 0.000 75 78 0.11341 76 78 0.67415 3 Singlet-A 4.7038 263.59 0.0536 0.000 73 78 -0.20332 74 78 0.23950 74 79 -0.13711 75 78 0.53046 75 79 0.11600 76 78 -0.11991 76 79 -0.21663 4 Singlet-A 4.9133 252.35 0.0077 0.000 73 78 -0.14985 74 78 -0.22389 75 78 0.10515 77 78 -0.17706 77 79 0.56813 77 80 0.20380 5 Singlet-A 4.9506 250.44 0.0116 0.000 73 78 0.36715 74 78 0.33752 75 78 -0.14313 75 79 0.21245 76 79 -0.28887 77 79 0.21319 77 80 0.15933 6 Singlet-A 5.1427 241.09 0.0766 0.000 73 78 -0.18637 74 78 0.38102 75 79 0.18318 76 79 0.47634 77 80 0.11585 7 Singlet-A 5.2452 236.38 0.0682 0.000 73 78 0.41685 74 78 -0.15968 74 79 -0.22339 75 78 0.31089 76 79 0.34049 8 Singlet-A 5.3313 232.56 0.0065 0.000 72 78 -0.15151 75 79 -0.11290 77 79 -0.27424 77 80 0.56375 9 Singlet-A 5.6348 220.03 0.0938 0.000 72 78 0.48058 73 78 -0.20407 73 79 -0.11891 74 78 -0.15343 75 79 0.31598 76 80 -0.11926 77 79 -0.10998 77 80 0.15410 10 Singlet-A 5.7549 215.44 0.1713 0.000 72 78 -0.41337 72 79 -0.10040 73 79 -0.15639 74 78 -0.19717 75 79 0.44611 PT13275.200S Mon Sep 9 14:46:54 2024 -19.18406 -19.12652 -19.11050 -14.36631 -14.30517 -10.31922 -10.28463 -10.26739 -10.23528 -10.22038 -10.21864 -10.21383 -10.21045 -10.20124 -10.19682 -10.19673 -10.18577 -10.18351 -10.17036 -10.15771 -10.15586 -1.12589 -1.06516 -1.03769 -1.00514 -0.89371 -0.89126 -0.82243 -0.81022 -0.78365 -0.75523 -0.74735 -0.71154 -0.69576 -0.68080 -0.64399 -0.63190 -0.61676 -0.60579 -0.58885 -0.56218 -0.55314 -0.51726 -0.51099 -0.49981 -0.49264 -0.48409 -0.47973 -0.47100 -0.45442 -0.45360 -0.44372 -0.44144 -0.43592 -0.43311 -0.42076 -0.41597 -0.40630 -0.39495 -0.39099 -0.38949 -0.38419 -0.38211 -0.37956 -0.37537 -0.36878 -0.35348 -0.34310 -0.33944 -0.33526 -0.32376 -0.31089 -0.30166 -0.28317 -0.27207 -0.25830 -0.25531 -0.07196 -0.04753 -0.01332 -0.00602 0.00177 0.00896 0.00961 0.01314 0.01787 0.02648 0.02671 0.02962 0.03850 0.03973 0.04301 0.04508 0.04882 0.05480 0.05782 0.06074 0.06656 0.06790 0.07260 0.07651 0.08251 0.08475 0.08711 0.09197 0.09605 0.09941 0.10137 0.10305 0.10985 0.11172 0.11670 0.12019 0.12346 0.12405 0.13554 0.13674 0.13954 0.14237 0.14362 0.14688 0.14862 0.15235 0.15765 0.16163 0.16292 0.16407 0.16937 0.17618 0.17717 0.17919 0.18451 0.18665 0.18731 0.19338 0.19501 0.19670 0.20297 0.20631 0.20860 0.21067 0.21388 0.21478 0.22255 0.22349 0.22588 0.22741 0.22827 0.23360 0.23427 0.23800 0.24345 0.24507 0.24951 0.25207 0.25546 0.25664 0.25963 0.26209 0.26573 0.26948 0.27239 0.27289 0.27466 0.27498 0.28296 0.28627 0.29053 0.29716 0.29863 0.30018 0.30455 0.31100 0.31541 0.31821 0.32429 0.32781 0.32995 0.33314 0.33603 0.34065 0.34297 0.34787 0.35383 0.35940 0.36593 0.36667 0.36907 0.37379 0.38431 0.39287 0.39671 0.39863 0.41124 0.41188 0.41787 0.42491 0.42776 0.43533 0.44480 0.44908 0.45247 0.46018 0.47800 0.48272 0.48468 0.49740 0.49948 0.50420 0.51184 0.51610 0.52117 0.52856 0.53350 0.53788 0.54886 0.55473 0.55699 0.56915 0.57296 0.57565 0.58591 0.58781 0.59334 0.60390 0.61321 0.61899 0.62246 0.63106 0.63420 0.63889 0.64273 0.64592 0.64915 0.65306 0.66697 0.66918 0.67600 0.68118 0.68167 0.68941 0.68997 0.69520 0.69962 0.70693 0.70769 0.71355 0.71767 0.72340 0.72428 0.73243 0.74311 0.74776 0.74920 0.75644 0.75973 0.76186 0.76638 0.77218 0.78722 0.79855 0.80469 0.81439 0.81766 0.82684 0.83143 0.84399 0.84968 0.85881 0.85980 0.88562 0.89646 0.90092 0.91147 0.92071 0.93191 0.94050 0.94934 0.96002 0.97163 0.98363 0.99021 0.99861 1.00305 1.01141 1.02127 1.03041 1.03478 1.04410 1.04954 1.05777 1.07388 1.08006 1.08884 1.09063 1.11371 1.11707 1.13530 1.14761 1.16219 1.16788 1.18938 1.19400 1.19805 1.20282 1.20816 1.22791 1.23817 1.24228 1.25716 1.27345 1.28298 1.28843 1.30736 1.31384 1.32832 1.34211 1.34747 1.35061 1.36407 1.37308 1.38664 1.39244 1.40385 1.42244 1.43415 1.45036 1.46537 1.46581 1.47484 1.48240 1.49030 1.49525 1.50331 1.51355 1.52554 1.52812 1.53430 1.54219 1.54766 1.55153 1.55505 1.56456 1.56529 1.57041 1.58605 1.59019 1.59328 1.60484 1.60893 1.61554 1.62202 1.63989 1.64173 1.65029 1.65954 1.66463 1.67363 1.67915 1.68551 1.69302 1.69581 1.70898 1.71871 1.72631 1.73472 1.74342 1.75252 1.75884 1.76592 1.77923 1.78198 1.79453 1.80239 1.81170 1.82085 1.82868 1.82937 1.83550 1.84849 1.86356 1.86739 1.88289 1.89194 1.89821 1.91129 1.92739 1.93121 1.94950 1.95762 1.96435 1.98495 1.98869 1.99151 2.00447 2.00827 2.02194 2.04574 2.06011 2.06883 2.07015 2.07805 2.08555 2.10100 2.11700 2.13449 2.15380 2.15818 2.16882 2.18236 2.19863 2.20275 2.22129 2.22941 2.25071 2.26552 2.28749 2.30672 2.31578 2.32552 2.34348 2.35577 2.35984 2.39442 2.40335 2.41518 2.41932 2.42587 2.43133 2.44183 2.46777 2.48539 2.50247 2.51003 2.52045 2.52661 2.52821 2.53255 2.54306 2.54762 2.55126 2.56739 2.57823 2.58292 2.58805 2.59321 2.59508 2.61396 2.61837 2.63161 2.63391 2.64040 2.65332 2.67394 2.68354 2.69057 2.70604 2.71212 2.71575 2.72016 2.73182 2.73757 2.76736 2.77670 2.79351 2.80641 2.81287 2.82215 2.83661 2.84128 2.84697 2.85262 2.86430 2.86598 2.88225 2.88743 2.89447 2.90345 2.92042 2.92432 2.93305 2.95060 2.95892 2.97693 2.99130 3.00569 3.01405 3.02307 3.04533 3.05142 3.08003 3.09577 3.10495 3.11921 3.15653 3.16383 3.17886 3.20434 3.20802 3.23452 3.24838 3.26869 3.30578 3.33974 3.36203 3.37651 3.39150 3.40147 3.42929 3.49127 3.52669 3.54353 3.56411 3.58871 3.60574 3.64715 3.66176 3.68177 3.74766 3.77486 3.78950 3.79121 3.79898 3.81125 3.81513 3.81729 3.82688 3.85258 3.85839 3.86698 3.96945 3.98555 4.03112 4.03963 4.05302 4.09915 4.12666 4.17213 4.19758 4.24083 4.29701 4.31830 4.34846 4.36461 4.58837 4.80270 4.83859 4.89372 5.07006 5.10093 5.14137 5.18682 5.22150 5.29194 5.41568 5.62314 5.82610 5.86266 23.58040 23.79395 23.84302 23.84388 23.89770 23.90833 23.92099 23.93982 23.94143 23.96137 23.97422 23.98785 24.01280 24.04411 24.08089 24.15934 35.58047 35.73965 49.89371 50.01021 50.06877 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 O O O N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.312622 0.005075 -0.236393 0.217190 -0.057734 0.518433 -0.101322 -0.166367 -0.379725 -0.398186 -0.593706 -0.448905 0.416664 0.474602 -0.041338 -0.015011 -0.230015 -0.721982 -0.530215 -0.432328 -0.184467 0.161763 0.160807 0.151132 0.170270 0.135297 0.158361 0.142241 0.137244 0.135174 0.168140 0.300943 0.145285 0.148174 0.129883 0.147605 0.178077 0.152458 0.164258 0.164431 0.166809 -0.00000 2.4623 -1.7563 -1.6206 3.4313 -121.4899 -121.6833 -132.4925 -8.1214 5.5768 -7.6881 3.7320 3.5386 -7.2706 -8.1214 5.5768 -7.6881 66.0175 6.9974 -1.9007 -16.1919 -40.1189 -40.2463 12.2965 7.1768 -13.2810 5.7212 -4934.4118 -2519.5388 -882.1860 -33.6515 37.7100 -135.4676 -69.0013 40.4930 -14.3289 -1282.6714 -1101.2074 -568.2517 -50.9377 -35.4791 14.1556 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-FUENTE ALCAMI 2024-09-09T00:00:00.000 0 Electronic spectrum CONF12 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-957.2712824 RMSD=8.845e-09 PG=C01 [X(C16H20N2O3)] 0 -2.8747796157 -1.1790375365 -1.8473974355 0 0.8340254992 -2.0303144117 0.6395832703 0 2.5777958709 -2.5446454384 -0.692455192 0 -1.2124679477 1.0066990159 0.4471269084 0 -0.7655434455 -0.4426554103 -1.2218134794 0 -2.5084699182 0.5015291222 -0.0445168292 0 -3.2982392966 -0.2217970639 1.0838579122 0 -2.146072031 -0.4997473806 -1.1602348471 0 -3.301331103 1.6558514953 -0.6789852943 0 -2.5357430884 -1.4488301787 1.6049039453 0 -3.6512951389 0.7235448186 2.2389701526 0 -0.2941617161 0.4415793614 -0.2409358546 0 1.1514396716 0.7366417176 -0.1201394038 0 2.1554152856 -0.2492902791 -0.1578939734 0 1.5197468552 2.0818030514 -0.03841901 0 2.8580865133 2.4788999936 -0.0095387828 0 3.4961970831 0.1458886222 -0.1618225377 0 3.8431370184 1.4884336415 -0.0844777003 0 1.8955196156 -1.7198457139 -0.128387522 0 3.2257952552 3.9397251184 0.0549492123 0 0.4884683056 -3.42828334 0.7092141309 0 -4.2231762788 -0.571836452 0.6109376908 0 -3.4718739222 2.4452878447 0.0525926339 0 -2.7452787812 2.0851434265 -1.5161074062 0 -4.2590755712 1.2872545793 -1.0529904251 0 -2.3766277757 -2.1857624437 0.8138108803 0 -1.5620923153 -1.1587183062 2.0082833399 0 -3.1044584875 -1.9367770655 2.4007377889 0 -4.190036986 0.1753852454 3.0167959303 0 -4.2902937232 1.5490879653 1.9191323763 0 -2.7445875512 1.1438904384 2.6803364282 0 -0.2065645253 -0.9638957109 -1.8805747162 0 0.7306414711 2.8240181198 -0.006116787 0 4.2602906147 -0.6206532693 -0.2043677203 0 4.8907021329 1.770055201 -0.0736188886 0 4.185603181 4.0867150687 0.5550412728 0 3.3119700953 4.3594807874 -0.9530747264 0 2.4683035884 4.5178087045 0.5883591843 0 0.1869821717 -3.79167719 -0.27499029 0 -0.3417707379 -3.4848089755 1.4080908772 0 1.3388192235 -4.012047671 1.0633549494 Gaussian 16 9-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C16H20N2O3)] 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 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8748,-1.179,-1.8474;.834,-2.0303,.6396;2.5778,-2.5446,-.6925;-1.2125,1.0067,.4471;-.7655,-.4427,-1.2218;-2.5085,.5015,-.0445;-3.2982,-.2218,1.0839;-2.1461,-.4997,-1.1602;-3.3013,1.6559,-.679;-2.5357,-1.4488,1.6049;-3.6513,.7235,2.239;-.2942,.4416,-.2409;1.1514,.7366,-.1201;2.1554,-.2493,-.1579;1.5197,2.0818,-.0384;2.8581,2.4789,-.0095;3.4962,.1459,-.1618;3.8431,1.4884,-.0845;1.8955,-1.7198,-.1284;3.2258,3.9397,.0549;.4885,-3.4283,.7092;-4.2232,-.5718,.6109;-3.4719,2.4453,.0526;-2.7453,2.0851,-1.5161;-4.2591,1.2873,-1.053;-2.3766,-2.1858,.8138;-1.5621,-1.1587,2.0083;-3.1045,-1.9368,2.4007;-4.19,.1754,3.0168;-4.2903,1.5491,1.9191;-2.7446,1.1439,2.6803;-.2066,-.9639,-1.8806;.7306,2.824,-.0061;4.2603,-.6207,-.2044;4.8907,1.7701,-.0736;4.1856,4.0867,.555;3.312,4.3595,-.9531;2.4683,4.5178,.5884;.187,-3.7917,-.275;-.3418,-3.4848,1.4081;1.3388,-4.012,1.0634; oldchk=opt-b3lyp-pople.chk #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 CONF12 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 16 16 16 14 14 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 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 2 2 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 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 1125 A 999 A 999 1438 1125 77 77 1744.3967921967 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0466480823 0.000000 4.545875 0.000000 5.738411 2.253796 0.000000 3.578487 3.667237 5.317593 0.000000 2.320020 2.923026 3.984533 2.255157 0.000000 2.491760 4.248588 5.963984 1.475307 2.305494 0.000000 3.112537 4.532519 6.563437 2.503012 3.432120 1.555688 0.000000 1.210224 3.803020 5.168690 2.392616 1.383080 1.542308 2.537853 0.000000 3.095760 5.694525 7.225544 2.460260 3.335958 1.537413 2.575498 2.492555 0.000000 3.479385 3.553211 5.712001 3.020121 3.483723 2.554454 1.535741 2.949338 3.929545 0.000000 4.573969 5.500898 7.620754 3.039532 4.654526 2.563133 1.533820 3.913660 3.083202 2.523036 0.000000 3.444809 2.856288 4.167679 1.279092 1.402210 2.223811 3.349571 2.271735 3.272524 3.464890 4.183274 0.000000 4.781599 2.886863 3.623380 2.445972 2.505844 3.668233 4.708275 3.672062 4.580876 4.620322 5.350872 1.480344 0.000000 5.387180 2.356711 2.394330 3.645024 3.114693 4.725295 5.593304 4.423823 5.803205 5.152991 6.356827 2.546493 1.407641 0.000000 5.763449 4.223673 4.790747 2.976004 3.604978 4.327104 5.457020 4.621807 4.882064 5.622533 5.811286 2.453897 1.397064 2.419162 0.000000 7.044429 4.985097 5.077494 4.352624 4.809968 5.719366 6.810993 5.936164 6.250119 6.864903 7.106976 3.760437 2.441381 2.821131 1.396307 0.000000 6.722049 3.530619 2.892059 4.825281 4.430846 6.016333 6.917462 5.766184 6.982395 6.484501 7.562019 3.802698 2.418391 1.397812 2.769359 2.423493 0.000000 7.440006 4.686214 4.270416 5.106252 5.124702 6.427946 7.435668 6.401620 7.171115 7.222994 7.883526 4.270553 2.794941 2.423526 2.398406 1.398915 1.388804 0.000000 5.099336 1.346454 1.209945 4.174308 3.147706 4.933220 5.539749 4.346011 6.221394 4.765904 6.507050 3.078820 2.566720 1.493636 3.821234 4.309307 2.458506 3.753425 0.000000 8.187653 6.457843 6.559389 5.334288 6.063511 6.686769 7.806404 7.074076 6.954000 8.039541 7.899882 4.971385 3.820124 4.328841 2.524122 1.507773 3.809633 2.531675 5.816699 0.000000 4.786106 1.441727 2.666605 4.757199 3.770330 4.999317 4.976049 4.360271 6.491387 3.723755 6.059329 4.060927 4.298134 3.692775 5.655399 6.405194 4.751825 6.004819 2.366459 7.887241 0.000000 2.868846 5.263389 7.200280 3.403377 3.915468 2.126488 1.096216 2.730680 2.734281 2.145814 2.157672 4.146065 5.579703 6.432851 6.359609 7.735391 7.791085 8.354264 6.269208 8.726425 5.510766 0.000000 4.135483 6.238297 7.877375 2.707418 4.157950 2.171584 2.864786 3.449918 1.089725 4.295366 2.788698 3.768138 4.931971 6.242711 5.005665 6.330355 7.340792 7.378600 6.796323 6.862370 7.114373 3.158994 0.000000 3.283504 5.864760 7.102709 2.714192 3.224241 2.174739 3.519596 2.677192 1.092822 4.719490 4.095781 3.214862 4.353343 5.595635 4.513759 5.815711 6.674640 6.768519 6.159604 6.446815 6.768091 3.710531 1.765917 0.000000 2.937678 6.309576 7.845779 3.407474 3.902032 2.167719 2.786856 2.769415 1.092254 4.185742 3.394727 4.134627 5.517886 6.656415 5.920764 7.291283 7.889306 8.162373 6.912061 8.017881 6.919598 2.495228 1.784108 1.772762 0.000000 2.888543 3.219132 5.190756 3.417826 3.126944 2.824118 2.186196 2.606273 4.223922 1.092801 3.481368 3.514553 4.675465 5.023301 5.841245 7.059689 6.393632 7.279568 4.399552 8.335743 3.124672 2.460824 4.819299 4.879043 4.369257 0.000000 4.073062 2.893856 5.133562 2.692300 3.403052 2.804646 2.178667 3.288584 4.262413 1.093104 2.821507 3.037694 3.935204 4.397641 4.918099 6.069749 5.656647 6.372093 4.103085 7.261784 3.323147 3.062413 4.523367 4.933954 4.756879 1.773429 0.000000 4.321293 4.315330 6.498104 4.007527 4.563529 3.504256 2.170917 3.957788 4.736078 1.093106 2.720756 4.531312 5.622691 6.087732 6.594069 7.801255 7.380574 8.134952 5.607434 8.950314 4.242047 2.513559 4.985105 5.625525 4.863719 1.763539 1.771522 0.000000 5.217733 5.979754 8.182950 4.019975 5.484062 3.507944 2.165481 4.699062 4.079262 2.714443 1.093497 5.085422 6.219867 7.108007 6.750585 8.008803 8.317613 8.710561 7.107607 8.828214 6.340329 2.519443 3.801936 5.126570 4.219500 3.703595 3.114968 2.453414 0.000000 4.861388 6.380283 8.411284 3.454562 5.124105 2.850999 2.194969 4.275268 2.782025 3.487793 1.091850 4.675633 5.867807 7.006809 6.154053 7.462149 8.181001 8.376803 7.289894 8.104438 7.005333 2.492829 2.226422 3.804642 2.983797 4.339696 3.844899 3.713409 1.761243 0.000000 5.090513 5.200646 7.301287 2.711722 4.654086 2.809485 2.172643 4.220160 3.443415 2.814671 1.092526 3.877068 4.815345 5.831512 5.143526 6.356700 6.929738 7.152693 6.133556 7.096113 5.936560 3.067956 3.021195 4.300709 4.031372 3.834827 2.674314 3.114192 1.772154 1.769979 0.000000 2.677080 2.927674 3.415122 3.211430 1.009017 3.288974 4.347071 2.120380 4.229004 4.220047 5.628879 2.161354 2.799131 3.009525 3.956004 4.974505 4.230387 5.063592 2.839081 6.290695 3.641879 4.742838 5.101168 3.984287 4.709078 3.669039 4.122939 5.260601 6.414846 6.117982 5.629053 0.000000 5.693315 4.898179 5.718880 2.698843 3.793105 3.985884 5.166906 4.544765 4.251372 5.614436 5.352922 2.604108 2.132419 3.390906 1.083796 2.155259 3.852911 3.387854 4.692397 2.733921 6.297747 6.037623 4.219955 3.861092 5.324928 5.951916 5.017631 6.570092 6.353451 5.526466 4.702880 4.329000 0.000000 7.343062 3.799828 2.602069 5.746634 5.130876 6.863014 7.677889 6.478409 7.911122 7.081343 8.388680 4.676827 3.393273 2.137889 3.852452 3.407545 1.083160 2.153285 2.608858 4.683426 4.789996 8.522694 8.321802 7.623647 8.771538 6.894559 6.251838 7.922013 9.078414 9.073562 7.778396 4.783334 4.935938 0.000000 8.493889 5.604292 4.934484 6.172728 6.181226 7.507180 8.506820 7.473214 8.215164 8.266242 8.911171 5.354966 3.879715 3.400978 3.385523 2.153623 2.142508 1.084814 4.599296 2.737866 6.856764 9.434821 8.390742 7.777420 9.214700 8.321665 7.385837 9.153450 9.723860 9.397370 8.140885 6.059844 4.292027 2.475884 0.000000 9.129560 6.975548 6.936587 6.215892 6.941633 7.617325 8.651637 8.004244 7.967817 8.770460 8.692727 5.829999 4.570012 4.840546 3.388017 2.160120 4.064393 2.697653 6.279148 1.092213 8.376621 9.613158 7.847528 7.505536 9.040760 9.081509 7.915964 9.635043 9.566090 8.952158 7.823339 7.122642 3.721030 4.768815 2.501858 0.000000 8.351699 7.036068 6.947942 5.802779 6.305462 7.041789 8.296509 7.310625 7.149859 8.629918 8.479165 5.372270 4.299609 4.817749 3.039157 2.152407 4.291198 3.046229 6.296400 1.095323 8.448943 9.140156 7.120115 6.494604 8.171248 8.849985 7.935783 9.594867 9.462909 8.598971 7.760386 6.448153 3.149227 5.124608 3.157683 1.764100 0.000000 8.181412 6.749178 7.178491 5.088803 6.191986 6.426454 7.480802 7.037465 6.563966 7.853319 7.387181 4.993455 4.066119 4.835290 2.688259 2.160223 4.553353 3.394111 6.304771 1.092017 8.189917 8.407193 6.314119 6.126017 7.641213 8.274180 7.105155 8.717917 8.311886 7.500860 6.552399 6.580246 2.498359 5.499402 3.722416 1.770895 1.764330 0.000000 4.321196 2.087465 2.728618 5.050181 3.608286 5.074466 5.170811 4.130811 6.481289 4.054154 6.437360 4.260648 4.632475 4.054250 6.027437 6.820953 5.144719 6.425211 2.689438 8.313713 1.091608 5.531884 7.238389 6.683977 6.794723 3.215050 3.899368 4.629661 6.762524 7.306432 6.456616 3.275535 6.643439 5.162579 7.286865 8.873950 8.755954 8.660101 0.000000 4.725560 2.022042 3.717536 4.674956 4.043597 4.763984 4.415097 4.331558 6.288185 2.999577 5.417892 4.258883 4.731365 4.376851 6.045230 6.914809 5.511496 6.668910 3.237488 8.347588 1.086702 4.917944 6.841123 6.734401 6.646412 2.486229 2.694460 3.318764 5.549244 6.418108 5.368146 4.145914 6.553728 5.655297 7.562264 8.863001 8.969828 8.521172 1.790673 0.000000 5.852593 2.088460 2.602153 5.663623 4.731902 6.033356 5.989051 5.424488 7.529397 4.677135 6.979194 4.919613 4.897532 4.039384 6.195293 6.752161 4.841877 6.151782 2.642793 8.234577 1.090547 6.555572 8.115515 7.778767 7.993619 4.147546 4.177280 5.083115 7.205469 7.958988 6.772927 4.510672 6.945894 4.652276 6.880501 8.599565 8.834127 8.617413 1.779455 1.794772 0.000000 C16H20N2O3 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 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8793,.6004,2.1272;.3361,2.1896,-.6657;2.0268,3.1013,.5133;-.97,-1.2168,-.293;-.718,.3303,1.3283;-2.3008,-.9972,.3046;-3.3196,-.4884,-.7553;-2.0777,.0826,1.383;-2.7661,-2.2833,1.0068;-2.8906,.8644,-1.3421;-3.5492,-1.5124,-1.8739;-.1454,-.45,.3137;1.3149,-.424,.0724;2.0772,.7583,.0227;1.962,-1.6574,-.0363;3.348,-1.7525,-.1767;3.4678,.6663,-.0852;4.0939,-.5691,-.1878;1.4989,2.1354,.011;4.0213,-3.0985,-.2679;-.3128,3.4763,-.7099;-4.2571,-.3392,-.2071;-2.8179,-3.1063,.2944;-2.0629,-2.5626,1.7953;-3.7476,-2.1254,1.4591;-2.8334,1.635,-.5693;-1.9132,.7859,-1.8252;-3.6156,1.1991,-2.0886;-4.2569,-1.112,-2.6051;-3.9628,-2.4507,-1.499;-2.6113,-1.7334,-2.3889;-.2355,.9751,1.9362;1.3555,-2.5548,0;4.0456,1.5822,-.1094;5.1733,-.6149,-.286;4.9459,-3.0425,-.8466;4.2796,-3.4677,.7305;3.3686,-3.8395,-.7339;-.6056,3.7857,.2952;-1.1894,3.3349,-1.3365;.3566,4.2243,-1.136; 0.4334271 0.2398305 0.1838458 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= 999 RedAO= T EigKep= 1.14D-06 NBF= 999 NBsUse= 994 1.00D-06 EigRej= 9.64D-07 NBFU= 994 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= 1118 1118 1118 1118 1118 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -957.276797648571 -957.335964530661 -0.059166882089 -957.335930412949 0.000034117712 -957.336195892488 -0.000265479539 -957.336255925947 -0.000060033459 -957.336262195296 -0.000006269349 -957.336262774462 -0.000000579166 -957.336262831250 -0.000000056787 -957.336262841085 -0.000000009836 -957.336262841155 -0.000000000070 -957.336262841320 -0.000000000165 -957.336262841254 0.000000000066 -957.336262841 12 9.529904840090e+02 -5.719467898748e+03 2.064791007783e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11322070132 LenY= 11320803382 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. PT14368.100S Mon Sep 9 15:17:36 2024 -19.18371 -19.12467 -19.10921 -14.36490 -14.30409 -10.31585 -10.28184 -10.26553 -10.23283 -10.21878 -10.21737 -10.21238 -10.20944 -10.19982 -10.19560 -10.19537 -10.18432 -10.18248 -10.16882 -10.15673 -10.15480 -1.12199 -1.06144 -1.03381 -1.00184 -0.89182 -0.88907 -0.82086 -0.80866 -0.78219 -0.75331 -0.74602 -0.71002 -0.69458 -0.67988 -0.64258 -0.63041 -0.61535 -0.60400 -0.58717 -0.56059 -0.55157 -0.51577 -0.50965 -0.49857 -0.49132 -0.48301 -0.47829 -0.46967 -0.45335 -0.45281 -0.44320 -0.44053 -0.43490 -0.43151 -0.41947 -0.41554 -0.40541 -0.39433 -0.39043 -0.38874 -0.38344 -0.38139 -0.37909 -0.37461 -0.36757 -0.35281 -0.34268 -0.33925 -0.33473 -0.32323 -0.31043 -0.30065 -0.28304 -0.27186 -0.25804 -0.25478 -0.07175 -0.04774 -0.01286 -0.00714 0.00101 0.00849 0.00885 0.01282 0.01719 0.02541 0.02577 0.02882 0.03752 0.03892 0.04174 0.04438 0.04770 0.05336 0.05703 0.05937 0.06491 0.06658 0.07100 0.07535 0.08097 0.08326 0.08585 0.09025 0.09470 0.09794 0.10049 0.10116 0.10820 0.11047 0.11507 0.11837 0.12087 0.12249 0.13263 0.13364 0.13625 0.13946 0.14094 0.14431 0.14673 0.14917 0.15506 0.15791 0.15982 0.16094 0.16503 0.17137 0.17333 0.17521 0.18157 0.18252 0.18365 0.18953 0.19097 0.19113 0.19775 0.20041 0.20341 0.20489 0.20823 0.20931 0.21504 0.21571 0.21751 0.22165 0.22257 0.22743 0.22859 0.23314 0.23615 0.23792 0.24293 0.24551 0.24656 0.24781 0.25257 0.25581 0.25928 0.26266 0.26305 0.26486 0.26643 0.26997 0.27256 0.27865 0.28172 0.28363 0.28790 0.28901 0.29287 0.29895 0.30201 0.30677 0.30806 0.31243 0.31433 0.31761 0.32200 0.32322 0.32709 0.32922 0.33063 0.33859 0.34041 0.34608 0.35119 0.35574 0.35658 0.35943 0.36368 0.36492 0.37007 0.37245 0.37858 0.37959 0.38749 0.39133 0.39414 0.39890 0.40134 0.40470 0.41278 0.41527 0.41930 0.42305 0.42652 0.43486 0.44226 0.44500 0.44607 0.45087 0.45408 0.45789 0.45931 0.46320 0.46965 0.47104 0.47883 0.48370 0.48943 0.49090 0.49307 0.49680 0.50258 0.50525 0.51049 0.51170 0.51488 0.52131 0.52698 0.53286 0.53514 0.54126 0.54551 0.54934 0.55235 0.55565 0.56463 0.56665 0.56979 0.57710 0.58312 0.58435 0.58559 0.59267 0.59582 0.59923 0.60070 0.60565 0.60798 0.61259 0.61570 0.62253 0.62580 0.62851 0.63436 0.63633 0.64201 0.64285 0.64526 0.64929 0.65802 0.66025 0.66368 0.66612 0.67000 0.67243 0.67463 0.67916 0.68487 0.69036 0.69581 0.70325 0.70730 0.71218 0.71340 0.71552 0.72550 0.72943 0.73245 0.73491 0.73757 0.74353 0.74890 0.75593 0.76035 0.76356 0.76938 0.77660 0.78122 0.78731 0.79037 0.79418 0.79823 0.80870 0.81452 0.82126 0.82208 0.82722 0.83505 0.83978 0.84137 0.84632 0.85265 0.86033 0.86134 0.86662 0.87358 0.87583 0.88196 0.89221 0.89438 0.90415 0.90726 0.91654 0.92005 0.92679 0.92950 0.93493 0.93674 0.94600 0.94961 0.95861 0.96611 0.97765 0.98302 0.98477 0.99031 0.99290 1.00164 1.00382 1.01186 1.01946 1.02459 1.02905 1.03613 1.04160 1.04815 1.04974 1.05961 1.06112 1.07108 1.07406 1.07535 1.08418 1.08689 1.09540 1.09761 1.10380 1.11217 1.11730 1.12042 1.12594 1.13026 1.13457 1.13530 1.14314 1.14643 1.14852 1.15671 1.15999 1.16801 1.17201 1.17909 1.18238 1.18427 1.18738 1.19188 1.19751 1.20089 1.20356 1.21173 1.21894 1.22324 1.22703 1.22829 1.23049 1.23758 1.24533 1.24727 1.25526 1.26100 1.26421 1.26647 1.27504 1.27649 1.28455 1.28519 1.29124 1.29355 1.30195 1.31127 1.31940 1.32336 1.32460 1.33114 1.33525 1.34120 1.34823 1.35508 1.35907 1.36179 1.36424 1.37237 1.37869 1.38203 1.38748 1.39191 1.40056 1.40381 1.40631 1.40891 1.41197 1.42794 1.43124 1.43575 1.43827 1.44623 1.44915 1.46134 1.46879 1.47007 1.47219 1.48001 1.48792 1.49363 1.49806 1.50080 1.50756 1.51612 1.51772 1.52067 1.52570 1.53500 1.54664 1.54907 1.54980 1.55425 1.55850 1.56332 1.57044 1.57678 1.58127 1.58341 1.59066 1.59930 1.60978 1.61308 1.63193 1.63594 1.64595 1.65357 1.66055 1.67458 1.67760 1.68768 1.69128 1.69934 1.71220 1.71839 1.73144 1.73340 1.74430 1.75470 1.76320 1.76661 1.77741 1.78848 1.79487 1.80560 1.81579 1.82405 1.83901 1.84484 1.85734 1.87366 1.88453 1.88681 1.90009 1.90692 1.91113 1.91986 1.93916 1.94763 1.94894 1.95397 1.95931 1.97238 1.97566 1.99024 1.99339 2.00887 2.01134 2.01428 2.02293 2.03704 2.04538 2.05341 2.05683 2.06713 2.07312 2.08309 2.08982 2.10340 2.10489 2.11140 2.11877 2.12743 2.13235 2.14089 2.14603 2.15479 2.16319 2.17257 2.18996 2.19752 2.20619 2.20979 2.21684 2.23533 2.23719 2.24174 2.24692 2.26987 2.27266 2.28721 2.30461 2.31987 2.33427 2.34936 2.35804 2.36472 2.38722 2.39042 2.40967 2.41432 2.43349 2.44061 2.44905 2.46756 2.47744 2.49520 2.50205 2.50897 2.53183 2.54006 2.56360 2.56987 2.58853 2.60953 2.62002 2.63350 2.64540 2.65272 2.69114 2.69985 2.71231 2.73201 2.73864 2.74145 2.74461 2.75643 2.77427 2.78358 2.80218 2.81110 2.81442 2.82768 2.83303 2.84392 2.84701 2.86141 2.86852 2.87035 2.88360 2.88769 2.89194 2.89666 2.90617 2.91360 2.92538 2.92749 2.93369 2.94196 2.94527 2.95509 2.95920 2.96192 2.96818 2.97995 2.98241 2.99251 2.99937 3.00966 3.01486 3.03177 3.03863 3.04072 3.04727 3.05830 3.06567 3.07398 3.08283 3.09046 3.10177 3.11455 3.11528 3.12498 3.12805 3.13899 3.14520 3.15170 3.16185 3.17089 3.17532 3.18444 3.18684 3.20171 3.20507 3.21055 3.21762 3.22452 3.23203 3.23706 3.24845 3.25997 3.26894 3.27703 3.29427 3.29604 3.30243 3.30944 3.31639 3.32501 3.33164 3.33437 3.34704 3.35092 3.35889 3.36760 3.37530 3.38832 3.39366 3.39436 3.39768 3.40093 3.41270 3.42088 3.42553 3.43947 3.44574 3.45381 3.46794 3.47536 3.48037 3.48671 3.49459 3.50821 3.51710 3.52134 3.53224 3.55310 3.56582 3.57217 3.58142 3.58819 3.59471 3.60518 3.61011 3.62836 3.63963 3.64264 3.65473 3.65980 3.66590 3.67696 3.68712 3.69790 3.71384 3.71745 3.72303 3.73008 3.74739 3.75013 3.75601 3.77818 3.79217 3.79535 3.81502 3.82443 3.84585 3.84798 3.85724 3.86125 3.87116 3.89188 3.89927 3.91342 3.91857 3.91925 3.92927 3.94034 3.95423 3.95625 3.96347 3.96911 3.99393 3.99697 4.02587 4.03556 4.03944 4.04590 4.06616 4.09784 4.10963 4.11911 4.13162 4.15141 4.15473 4.17282 4.17786 4.19587 4.21194 4.21897 4.22724 4.24035 4.24820 4.25580 4.26485 4.28142 4.28936 4.29626 4.30396 4.31380 4.31620 4.32357 4.32960 4.33163 4.33973 4.34417 4.35768 4.36148 4.36710 4.37391 4.37804 4.38791 4.39906 4.40730 4.41277 4.41996 4.42657 4.43355 4.44562 4.45897 4.46801 4.47343 4.48809 4.49712 4.50440 4.51201 4.51593 4.52325 4.54247 4.54597 4.55564 4.56207 4.57613 4.58274 4.59683 4.60426 4.61084 4.62261 4.63302 4.64559 4.65128 4.65812 4.68308 4.69150 4.70080 4.70450 4.71345 4.72672 4.73371 4.74359 4.77115 4.78065 4.78782 4.80649 4.82295 4.83854 4.85531 4.86758 4.87431 4.89400 4.91194 4.93387 4.94666 4.97613 4.98874 5.02458 5.03217 5.06574 5.08871 5.10292 5.12049 5.12995 5.13541 5.19108 5.19631 5.21903 5.23092 5.26391 5.29861 5.31687 5.38564 5.41603 5.44795 5.45900 5.47650 5.50828 5.51183 5.54003 5.55496 5.56335 5.59878 5.63746 5.64106 5.65488 5.66265 5.66839 5.69038 5.72768 5.73667 5.76011 5.76594 5.77126 5.78107 5.79897 5.81403 5.81483 5.82031 5.84232 5.84436 5.85102 5.85750 5.88355 5.89173 5.90795 5.91052 6.00719 6.01693 6.06882 6.11313 6.13696 6.19575 6.26796 6.35585 6.38372 6.42007 6.49175 6.54326 6.55681 6.81233 6.89397 6.95349 7.01740 7.10703 7.14230 7.16807 7.18237 7.19397 7.20971 7.25165 7.26742 7.27647 7.28730 7.30424 7.30983 7.31016 7.31480 7.32636 7.33601 7.34663 7.35393 7.36477 7.37066 7.38275 7.40727 7.41845 7.43959 7.46001 7.47428 7.48403 7.50882 7.53034 7.56928 7.58201 7.60089 7.61144 7.61734 7.63080 7.67243 7.68073 7.69328 7.71098 7.73789 7.75151 7.77145 7.77535 7.82086 7.85015 7.86554 7.91264 7.93083 7.93983 7.95108 7.95216 7.98661 7.98806 8.00545 8.01488 8.03491 8.07223 8.10577 8.13657 8.14176 8.14835 8.16683 8.19645 8.21091 8.22800 8.23417 8.30572 8.32542 8.36543 8.39180 8.43968 8.48441 8.51573 8.58013 8.61283 8.64030 8.76537 8.83558 8.90711 9.38184 10.43114 10.47412 10.57878 10.63414 10.76450 10.89841 11.12904 11.20863 11.31398 11.78169 14.39257 14.43632 14.44423 14.45970 14.46375 14.51857 14.54952 14.69289 14.71131 14.78518 14.85885 14.93159 15.07990 15.10871 15.21363 24.07633 24.31244 24.32789 24.38193 24.41347 24.42258 24.51370 24.52731 24.93782 24.97990 25.10321 25.14243 25.21140 25.34671 25.40998 25.75693 36.15988 36.43457 50.21880 50.48919 50.50588 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 O O O N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.823724 -0.415998 -0.749831 -0.873929 -0.896318 -0.180843 0.178722 1.099990 -0.252519 -0.540690 -0.469644 0.571573 0.266363 0.358407 -0.507171 0.642670 -0.282617 -0.235285 0.591281 -0.516102 -0.114517 0.124788 0.161337 0.155349 0.166672 0.161292 0.184478 0.136531 0.139967 0.143958 0.164115 0.217263 0.151082 0.153194 0.130956 0.143758 0.175652 0.147498 0.161018 0.176292 0.154981 -0.00000 2.4453 -1.7792 -1.6225 3.4318 -121.4785 -121.9279 -132.0058 -8.0294 5.5170 -7.5333 3.6589 3.2094 -6.8684 -8.0294 5.5170 -7.5333 63.9621 6.8041 -1.4730 -15.9683 -39.0607 -39.2073 12.6436 7.2490 -12.8362 5.6695 -4937.2024 -2524.6285 -879.9042 -32.4194 36.4452 -130.9412 -66.1148 38.7789 -13.9827 -1283.2856 -1098.1208 -567.4862 -49.5181 -34.9943 14.0216 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-FUENTE ALCAMI 2024-09-09T00:00:00.000 0 Single Point CONF12 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-957.3362628 RMSD=4.192e-09 Dipole=0.8358033,0.8925936,0.5724691 Quadrupole=-0.3563157,4.9984446,-4.6421289,4.918776,-3.159294,-6.7756202 PG=C01 [X(C16H20N2O3)] 0 -2.8747796157 -1.1790375365 -1.8473974355 0 0.8340254992 -2.0303144117 0.6395832703 0 2.5777958709 -2.5446454384 -0.692455192 0 -1.2124679477 1.0066990159 0.4471269084 0 -0.7655434455 -0.4426554103 -1.2218134794 0 -2.5084699182 0.5015291222 -0.0445168292 0 -3.2982392966 -0.2217970639 1.0838579122 0 -2.146072031 -0.4997473806 -1.1602348471 0 -3.301331103 1.6558514953 -0.6789852943 0 -2.5357430884 -1.4488301787 1.6049039453 0 -3.6512951389 0.7235448186 2.2389701526 0 -0.2941617161 0.4415793614 -0.2409358546 0 1.1514396716 0.7366417176 -0.1201394038 0 2.1554152856 -0.2492902791 -0.1578939734 0 1.5197468552 2.0818030514 -0.03841901 0 2.8580865133 2.4788999936 -0.0095387828 0 3.4961970831 0.1458886222 -0.1618225377 0 3.8431370184 1.4884336415 -0.0844777003 0 1.8955196156 -1.7198457139 -0.128387522 0 3.2257952552 3.9397251184 0.0549492123 0 0.4884683056 -3.42828334 0.7092141309 0 -4.2231762788 -0.571836452 0.6109376908 0 -3.4718739222 2.4452878447 0.0525926339 0 -2.7452787812 2.0851434265 -1.5161074062 0 -4.2590755712 1.2872545793 -1.0529904251 0 -2.3766277757 -2.1857624437 0.8138108803 0 -1.5620923153 -1.1587183062 2.0082833399 0 -3.1044584875 -1.9367770655 2.4007377889 0 -4.190036986 0.1753852454 3.0167959303 0 -4.2902937232 1.5490879653 1.9191323763 0 -2.7445875512 1.1438904384 2.6803364282 0 -0.2065645253 -0.9638957109 -1.8805747162 0 0.7306414711 2.8240181198 -0.006116787 0 4.2602906147 -0.6206532693 -0.2043677203 0 4.8907021329 1.770055201 -0.0736188886 0 4.185603181 4.0867150687 0.5550412728 0 3.3119700953 4.3594807874 -0.9530747264 0 2.4683035884 4.5178087045 0.5883591843 0 0.1869821717 -3.79167719 -0.27499029 0 -0.3417707379 -3.4848089755 1.4080908772 0 1.3388192235 -4.012047671 1.0633549494