Gaussian 09 GINC-KIMIK2183 EGARCIAP Opt freq EM64L-G09RevD.01 22-May-2024 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 39 39 (6D, 7F) 6-31G(d) RB3LYP 6-31G(d) FOpt #p b3lyp opt freq=noraman 6-31G(d) scrf=(solvent=methylbutanoate,pcm) nosymm empiricaldispersion=gd3 scf=maxcyc=512 332.22499999999985 1 1 AuxInfo=1/0/N:30,14,16,12,13,6,24,4,22,5,26,18,11,8,27,2,21,3,23,1,37,34,38,39,35,36/E:(2,3)(4,5)(6,7)(8,9)(10,11)(14,15)(16,17)(18,19)(21,22)(23,24,25,26)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,23.1,24.1,25.1,26.1/rA:39nC3C3C3C3C3C3HC3HHC3C3C3C3HC3HC3HHC3C3C3C3HC3C3HHCHHHNO1O1NO1O1/rB:s1;s2;s2;s3;s4;s4;s5s6;s5;s6;s1;s11;s11;s12;s12;s13;s13;s14s16;s14;s16;s1;s21;s3s21;s22;s22;s23;s24s26;s26;s24;s18;s30;s30;s30;s27;s34;s34;s8;s37;s37;/rC:-.0078,-.0221,1.0181;.0063,-1.1796,.1232;.0021,-.7152,-1.2205;-.0983,-2.5457,.401;-.0393,-1.5955,-2.2808;-.124,-3.451,-.6652;-.1842,-2.9192,1.4133;-.086,-2.9637,-1.967;-.0493,-1.2715,-3.3135;-.1882,-4.5166,-.4893;-.0117,-.0493,2.4335;-.6936,.9547,3.1865;.6691,-1.0808,3.1483;-.7069,.9075,4.5636;-1.2834,1.7032,2.6716;.6837,-1.0848,4.5272;1.2549,-1.8127,2.6058;-.0082,-.1004,5.2648;-1.2693,1.6503,5.1203;1.242,-1.8511,5.0554;-.0137,1.169,.1685;.0853,2.5238,.4994;.0067,.7567,-1.1919;.1219,3.4692,-.5311;.1584,2.859,1.5261;.0596,1.677,-2.2172;.1,3.0322,-1.851;.0821,1.3925,-3.2612;.1815,4.5274,-.3138;.0177,-.1023,6.7623;.7766,.6103,7.1153;-.9421,.2211,7.1769;.2735,-1.0861,7.164;.1468,4.0434,-2.9278;.1424,3.6383,-4.0891;.1847,5.228,-2.6015;-.123,-3.9331,-3.0821;-.1678,-5.1291,-2.8016;-.1042,-3.4841,-4.2269; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-173957.inp" -scrdir="/scratch/" nprocshared=24 mem=41GB #p b3lyp opt freq=noraman 6-31G(d) scrf=(solvent=methylbutanoate,pcm) 1/14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=1,6=6,7=1,11=2,16=1,25=1,30=1,70=2201,71=1,72=132,74=-5,124=31/1,2,3 4//1 5/5=2,7=512,38=5,53=132/2 6/7=2,8=2,9=2,10=2,28=1/1 7/30=1/1,2,3,16 1/14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=1,6=6,7=1,11=2,16=1,25=1,30=1,70=2205,71=1,72=132,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,7=512,38=5,53=132/2 7/30=1/1,2,3,16 1/14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Opt freq 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 12 12 12 12 12 12 1 12 1 1 12 12 12 12 1 12 1 12 1 1 12 12 12 12 1 12 12 1 1 12 1 1 1 14 16 16 14 16 16 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 14.0030740 15.9949146 15.9949146 14.0030740 15.9949146 15.9949146 0 0 0 0 0 0 1 0 1 1 0 0 0 0 1 0 1 0 1 1 0 0 0 0 1 0 0 1 1 0 1 1 1 2 0 0 2 0 0 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 /mnt/data/applications/G09/g09/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 1 1 2 2 3 3 4 4 5 5 6 6 8 11 11 12 12 13 13 14 14 16 16 18 21 21 22 22 23 24 24 26 26 27 30 30 30 34 34 37 37 2 11 21 3 4 5 23 6 7 8 9 8 10 37 12 13 14 15 16 17 18 19 18 20 30 22 23 24 25 26 27 29 27 28 34 31 32 33 35 36 38 39 1.4631 1.4157 1.4631 1.4217 1.398 1.3787 1.4722 1.3989 1.0824 1.4045 1.0824 1.3906 1.0819 1.4779 1.4283 1.4278 1.378 1.0831 1.379 1.0831 1.4127 1.0854 1.4113 1.0853 1.4977 1.398 1.4217 1.399 1.0825 1.3787 1.3906 1.0819 1.4044 1.0824 1.4779 1.0992 1.0944 1.093 1.2299 1.2293 1.2292 1.2299 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 11 1 1 3 2 2 5 2 2 6 3 3 8 4 4 8 5 5 6 1 1 12 11 11 14 11 11 16 12 12 18 13 13 18 14 14 16 1 1 22 21 21 24 3 3 21 22 22 27 23 23 27 24 24 26 18 18 18 31 31 32 27 27 35 8 8 38 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 11 11 11 12 12 12 13 13 13 14 14 14 16 16 16 18 18 18 21 21 21 22 22 22 23 23 23 24 24 24 26 26 26 27 27 27 30 30 30 30 30 30 34 34 34 37 37 37 11 21 21 3 4 4 5 23 23 6 7 7 8 9 9 8 10 10 6 37 37 12 13 13 14 15 15 16 17 17 18 19 19 18 20 20 16 30 30 22 23 23 24 25 25 21 26 26 27 29 29 27 28 28 26 34 34 31 32 33 32 33 33 35 36 36 38 39 39 126.6077 106.7974 126.5948 108.6411 130.6046 120.4475 121.224 107.9502 130.7997 118.8401 121.9382 119.204 116.8217 122.8778 120.2959 119.0914 120.9716 119.9302 123.4644 118.1141 118.4105 120.9953 120.8702 118.1344 120.4922 119.6738 119.5714 120.5141 119.6877 119.553 121.0426 119.6146 119.3407 121.0244 119.6149 119.3588 118.7331 120.3763 120.8784 130.6333 108.6279 120.431 118.8427 121.9612 119.179 107.9709 130.7718 121.2328 119.1025 120.9628 119.9284 116.8322 122.865 120.2987 123.4482 118.4259 118.1158 109.4033 111.2999 111.8799 106.9917 107.6939 109.3875 117.5429 117.8354 124.6215 117.8336 117.5477 124.6186 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 11 11 21 21 2 2 21 21 2 2 11 11 1 1 4 4 1 1 3 3 2 2 23 23 2 2 5 5 2 2 7 7 3 3 9 9 4 4 10 10 5 5 6 6 1 1 13 13 1 1 12 12 11 11 15 15 11 11 17 17 12 12 19 19 13 13 20 20 14 14 14 16 16 16 1 1 23 23 1 1 22 22 21 21 25 25 3 3 21 21 22 22 29 29 23 23 28 28 24 24 26 26 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 5 5 5 5 6 6 6 6 8 8 8 8 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 16 16 16 16 18 18 18 18 18 18 21 21 21 21 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 26 26 26 26 27 27 27 27 2 2 2 2 11 11 11 11 21 21 21 21 3 3 3 3 4 4 4 4 5 5 5 5 23 23 23 23 6 6 6 6 8 8 8 8 8 8 8 8 37 37 37 37 12 12 12 12 13 13 13 13 14 14 14 14 16 16 16 16 18 18 18 18 18 18 18 18 30 30 30 30 30 30 22 22 22 22 23 23 23 23 24 24 24 24 26 26 26 26 27 27 27 27 27 27 27 27 34 34 34 34 3 4 3 4 12 13 12 13 22 23 22 23 5 23 5 23 6 7 6 7 8 9 8 9 21 26 21 26 8 10 8 10 6 37 6 37 5 37 5 37 38 39 38 39 14 15 14 15 16 17 16 17 18 19 18 19 18 20 18 20 16 30 16 30 14 30 14 30 31 32 33 31 32 33 24 25 24 25 3 26 3 26 27 29 27 29 27 28 27 28 26 34 26 34 24 34 24 34 35 36 35 36 179.8471 6.3364 -0.2852 -173.7958 -146.8349 33.296 33.3228 -146.5463 -173.9425 -0.4433 5.9253 179.4244 -177.4522 0.8795 -3.1645 175.1673 176.7451 -1.7138 3.8808 -174.578 0.4177 179.6392 -177.4857 1.7358 -1.158 177.0164 176.9574 -4.8682 -1.9346 179.0177 176.5671 -2.4806 1.5853 -179.6421 -177.6575 1.1152 -0.8317 -179.6009 178.2262 -0.543 -179.7879 0.3425 -0.952 179.1784 179.0669 4.9778 -1.0604 -175.1495 178.6572 4.3701 -1.2156 -175.5027 2.4056 -177.0591 176.5007 -2.964 2.1646 -177.3296 176.4594 -3.0348 -1.4685 177.2705 177.9976 -3.2634 -0.839 -179.5714 178.6564 -0.076 -80.8269 37.199 159.9182 97.8847 -144.0894 -21.3702 176.721 -1.7642 3.8687 -174.6165 0.9788 -177.4044 175.2599 -3.1232 -1.9377 178.9756 176.5903 -2.4964 -177.6037 1.6626 0.3654 179.6316 -0.8424 -179.6682 178.2539 -0.5719 1.6236 -179.5472 -177.6626 1.1666 179.1686 -0.9692 0.2794 -179.8584 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 3.00e-01 1.00e-07 1.00e-06 223 234 0.10000e-02 0.10000e-05 F 39 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 0 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. NBasis= 416 RedAO= T EigKep= 2.92D-04 NBF= 416 NBsUse= 416 1.00D-06 EigRej= -1.00D+00 NBFU= 416 Berny optimization. local minimum Step number 12 out of a maximum of 223 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00042 0.00328 0.00661 0.01381 0.01483 0.01563 0.01689 0.01696 0.01700 0.01714 0.01803 0.01840 0.01846 0.01874 0.01979 0.01990 0.02025 0.02093 0.02108 0.02121 0.02124 0.02125 0.02148 0.02158 0.02168 0.02174 0.02185 0.02196 0.02226 0.02245 0.02314 0.04140 0.07021 0.07328 0.10989 0.11053 0.15575 0.15938 0.15953 0.15975 0.15994 0.15998 0.15999 0.15999 0.16000 0.16022 0.16047 0.16110 0.16518 0.22001 0.22442 0.22557 0.22753 0.23285 0.23522 0.24165 0.24352 0.24501 0.24615 0.24845 0.24871 0.24995 0.24999 0.25000 0.25033 0.25219 0.25797 0.27653 0.29872 0.32771 0.33765 0.34236 0.34293 0.34483 0.34820 0.35353 0.35362 0.35391 0.35644 0.35655 0.35677 0.35715 0.35734 0.35768 0.36025 0.36148 0.37054 0.37990 0.38449 0.40052 0.40640 0.41252 0.42116 0.42779 0.42911 0.42940 0.44379 0.44841 0.45546 0.45906 0.46516 0.46574 0.46848 0.48385 0.48561 0.49416 0.55084 0.86062 0.91124 0.91282 0.91405 -4.71417119e-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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 2.76403 2.67797 2.76412 2.68713 2.64281 2.60551 2.78230 2.64377 2.04588 2.65420 2.04592 2.62748 2.04484 2.79721 2.69832 2.69736 2.60444 2.04704 2.60666 2.04692 2.66979 2.05125 2.66673 2.05111 2.83049 2.64299 2.68728 2.64377 2.04610 2.60545 2.62747 2.04472 2.65392 2.04587 2.79723 2.07730 2.06840 2.06528 2.32250 2.32124 2.32122 2.32247 2.20937 1.86461 2.20920 1.89606 2.28051 2.10138 2.11600 1.88386 2.28287 2.07462 2.12769 2.08056 2.03924 2.14600 2.09786 2.07861 2.11330 2.09116 2.15471 2.06165 2.06664 2.11282 2.10952 2.06084 2.10372 2.08841 2.08668 2.10411 2.08843 2.08641 2.11294 2.08767 2.08255 2.11255 2.08786 2.08274 2.07121 2.10104 2.11072 2.28112 1.89564 2.10104 2.07467 2.12835 2.07985 1.88434 2.28220 2.11616 2.07884 2.11349 2.09073 2.03946 2.14570 2.09795 2.15442 2.06681 2.06176 1.91029 1.94270 1.95369 1.86641 1.87961 1.90802 2.04850 2.05336 2.18133 2.05339 2.04854 2.18125 -3.14144 0.11234 -0.00448 -3.03389 -2.56517 0.58162 0.58194 -2.55445 -3.03740 -0.00950 0.09956 3.12747 -3.09596 0.01625 -0.05298 3.05923 3.08388 -0.03044 0.06559 -3.04873 0.00632 3.13428 -3.09834 0.02962 -0.02221 3.08586 3.08619 -0.08892 -0.03291 3.12567 3.08216 -0.04244 0.02736 -3.13557 -3.10099 0.01926 -0.01415 -3.13435 3.11067 -0.00952 -3.12544 0.01849 -0.00409 3.13984 3.13041 0.08976 -0.01624 -3.05689 3.11392 0.07155 -0.02262 -3.06500 0.04146 -3.09167 3.08221 -0.05093 0.03660 -3.09522 3.07909 -0.05273 -0.02767 3.09154 3.10549 -0.05849 -0.01171 -3.13079 3.12014 0.00106 -1.39517 0.66423 2.80543 1.72353 -2.50026 -0.35906 3.08165 -0.03287 0.06501 -3.04952 0.01940 -3.09250 3.06113 -0.05077 -0.03376 3.12468 3.08153 -0.04322 -3.10022 0.02801 0.00407 3.13231 -0.01339 -3.13374 3.11158 -0.00877 0.02816 -3.13462 -3.10046 0.01995 3.12382 -0.01998 0.00232 -3.14148 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00000 0.00002 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 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 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 0.00001 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 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00002 0.00000 0.00001 0.00000 0.00002 0.00000 -0.00004 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00002 0.00000 -0.00001 0.00002 0.00000 0.00001 0.00000 -0.00003 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 0.00000 0.00002 0.00000 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00002 0.00000 -0.00002 -0.00003 0.00001 0.00002 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00002 -0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00002 0.00000 -0.00002 0.00002 0.00000 -0.00001 -0.00003 0.00002 0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00000 0.00001 0.00002 -0.00003 0.00001 0.00001 -0.00002 -0.00002 -0.00004 -0.00004 -0.00005 -0.00005 -0.00012 -0.00003 -0.00010 0.00006 0.00004 0.00004 0.00002 0.00000 0.00003 0.00001 0.00004 0.00001 0.00001 0.00000 -0.00001 -0.00001 0.00001 -0.00004 -0.00002 0.00000 -0.00002 0.00003 0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00002 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00014 -0.00014 -0.00012 -0.00013 -0.00004 -0.00003 0.00003 0.00004 0.00005 0.00005 -0.00001 -0.00002 -0.00003 -0.00001 -0.00003 -0.00002 -0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00003 -0.00001 0.00002 0.00001 -0.00002 0.00002 -0.00001 0.00016 0.00014 0.00014 0.00018 0.00017 0.00017 0.00000 0.00000 0.00002 0.00001 -0.00003 -0.00001 -0.00004 -0.00002 0.00000 -0.00001 0.00000 0.00000 0.00003 0.00003 0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00001 0.00001 0.00001 0.00008 0.00004 0.00008 0.00004 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00002 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00002 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00002 0.00000 -0.00001 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 0.00000 -0.00003 0.00003 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 0.00001 0.00002 -0.00002 -0.00001 0.00002 -0.00004 0.00002 -0.00003 0.00004 -0.00001 -0.00002 -0.00003 0.00004 -0.00002 -0.00001 0.00003 -0.00003 -0.00003 -0.00005 -0.00005 -0.00003 -0.00005 -0.00001 -0.00002 0.00003 0.00005 0.00001 0.00003 0.00003 0.00003 0.00003 0.00003 -0.00001 0.00000 -0.00001 0.00000 -0.00003 -0.00004 -0.00002 -0.00003 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00002 -0.00001 0.00000 -0.00002 0.00001 -0.00001 0.00002 0.00004 0.00001 0.00003 -0.00045 -0.00045 -0.00047 -0.00047 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00001 0.00000 0.00002 0.00000 0.00002 -0.00001 -0.00003 -0.00001 -0.00003 0.00074 0.00069 0.00066 0.00076 0.00071 0.00068 0.00002 0.00001 0.00000 -0.00001 -0.00004 -0.00003 -0.00002 -0.00001 0.00001 0.00000 0.00002 0.00002 0.00002 0.00002 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00017 0.00021 0.00017 0.00021 -0.00002 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00002 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00002 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00004 0.00001 0.00003 0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00003 0.00004 0.00002 -0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 0.00002 -0.00005 0.00003 -0.00004 0.00005 -0.00002 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00005 -0.00007 -0.00009 -0.00010 -0.00008 -0.00016 -0.00003 -0.00012 0.00009 0.00009 0.00005 0.00006 0.00003 0.00005 0.00004 0.00007 0.00000 0.00001 -0.00002 -0.00001 -0.00004 -0.00003 -0.00007 -0.00006 0.00000 -0.00002 0.00003 0.00000 -0.00002 -0.00002 -0.00002 -0.00002 0.00001 0.00000 0.00000 -0.00001 0.00002 0.00003 0.00002 0.00003 -0.00059 -0.00060 -0.00059 -0.00061 -0.00005 -0.00003 0.00003 0.00005 0.00007 0.00005 -0.00002 -0.00003 -0.00003 -0.00001 -0.00005 -0.00003 0.00000 0.00000 0.00001 0.00001 0.00001 0.00006 -0.00001 0.00004 0.00001 -0.00004 0.00001 -0.00004 0.00089 0.00083 0.00080 0.00094 0.00088 0.00085 0.00002 0.00001 0.00002 0.00000 -0.00006 -0.00004 -0.00005 -0.00003 0.00001 0.00000 0.00003 0.00001 0.00004 0.00005 0.00002 0.00002 -0.00002 -0.00002 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00001 0.00025 0.00025 0.00025 0.00025 2.76402 2.67796 2.76411 2.68712 2.64281 2.60549 2.78231 2.64375 2.04588 2.65420 2.04592 2.62749 2.04484 2.79720 2.69833 2.69735 2.60443 2.04704 2.60666 2.04692 2.66980 2.05125 2.66673 2.05111 2.83048 2.64300 2.68729 2.64376 2.04610 2.60544 2.62748 2.04473 2.65392 2.04588 2.79721 2.07729 2.06841 2.06527 2.32250 2.32123 2.32121 2.32247 2.20933 1.86462 2.20922 1.89606 2.28051 2.10137 2.11601 1.88386 2.28286 2.07462 2.12769 2.08055 2.03924 2.14600 2.09786 2.07862 2.11330 2.09114 2.15469 2.06166 2.06664 2.11283 2.10951 2.06084 2.10371 2.08842 2.08666 2.10412 2.08843 2.08641 2.11294 2.08766 2.08255 2.11255 2.08785 2.08274 2.07121 2.10101 2.11075 2.28114 1.89564 2.10102 2.07468 2.12836 2.07984 1.88434 2.28219 2.11618 2.07885 2.11350 2.09072 2.03946 2.14570 2.09795 2.15441 2.06682 2.06177 1.91031 1.94265 1.95372 1.86638 1.87966 1.90800 2.04850 2.05335 2.18134 2.05339 2.04854 2.18125 -3.14150 0.11227 -0.00457 -3.03399 -2.56525 0.58146 0.58191 -2.55457 -3.03731 -0.00940 0.09961 3.12752 -3.09593 0.01630 -0.05294 3.05929 3.08388 -0.03043 0.06557 -3.04874 0.00628 3.13425 -3.09840 0.02956 -0.02221 3.08584 3.08622 -0.08892 -0.03293 3.12566 3.08213 -0.04247 0.02737 -3.13557 -3.10099 0.01925 -0.01413 -3.13432 3.11069 -0.00949 -3.12603 0.01790 -0.00468 3.13924 3.13036 0.08973 -0.01621 -3.05684 3.11399 0.07160 -0.02264 -3.06502 0.04143 -3.09169 3.08216 -0.05096 0.03660 -3.09522 3.07910 -0.05272 -0.02767 3.09159 3.10548 -0.05845 -0.01170 -3.13083 3.12015 0.00102 -1.39428 0.66506 2.80623 1.72447 -2.49938 -0.35821 3.08168 -0.03287 0.06502 -3.04952 0.01934 -3.09254 3.06107 -0.05080 -0.03376 3.12467 3.08155 -0.04320 -3.10018 0.02806 0.00409 3.13233 -0.01341 -3.13376 3.11157 -0.00878 0.02817 -3.13461 -3.10045 0.01996 3.12407 -0.01973 0.00257 -3.14123 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000019 0.000003 0.001694 0.000273 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.234060e-08 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 1 1 2 2 3 3 4 4 5 5 6 6 8 11 11 12 12 13 13 14 14 16 16 18 21 21 22 22 23 24 24 26 26 27 30 30 30 34 34 37 37 2 11 21 3 4 5 23 6 7 8 9 8 10 37 12 13 14 15 16 17 18 19 18 20 30 22 23 24 25 26 27 29 27 28 34 31 32 33 35 36 38 39 1.4627 1.4171 1.4627 1.422 1.3985 1.3788 1.4723 1.399 1.0826 1.4045 1.0827 1.3904 1.0821 1.4802 1.4279 1.4274 1.3782 1.0832 1.3794 1.0832 1.4128 1.0855 1.4112 1.0854 1.4978 1.3986 1.422 1.399 1.0828 1.3787 1.3904 1.082 1.4044 1.0826 1.4802 1.0993 1.0945 1.0929 1.229 1.2283 1.2283 1.229 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 11 1 1 3 2 2 5 2 2 6 3 3 8 4 4 8 5 5 6 1 1 12 11 11 14 11 11 16 12 12 18 13 13 18 14 14 16 1 1 22 21 21 24 3 3 21 22 22 27 23 23 27 24 24 26 18 18 18 31 31 32 27 27 35 8 8 38 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 11 11 11 12 12 12 13 13 13 14 14 14 16 16 16 18 18 18 21 21 21 22 22 22 23 23 23 24 24 24 26 26 26 27 27 27 30 30 30 30 30 30 34 34 34 37 37 37 11 21 21 3 4 4 5 23 23 6 7 7 8 9 9 8 10 10 6 37 37 12 13 13 14 15 15 16 17 17 18 19 19 18 20 20 16 30 30 22 23 23 24 25 25 21 26 26 27 29 29 27 28 28 26 34 34 31 32 33 32 33 33 35 36 36 38 39 39 126.5875 106.8343 126.5776 108.6361 130.6633 120.3999 121.2377 107.9371 130.7985 118.8671 121.9077 119.207 116.8401 122.9566 120.1987 119.0954 121.083 119.8144 123.4556 118.124 118.4095 121.0556 120.8665 118.0773 120.5341 119.6569 119.5577 120.5567 119.6582 119.5424 121.0623 119.6145 119.3214 121.0403 119.6255 119.3319 118.6716 120.3806 120.9352 130.6986 108.6124 120.3805 118.8701 121.9456 119.1665 107.965 130.7606 121.2473 119.1086 121.0943 119.7901 116.8525 122.9394 120.2037 123.4393 118.4196 118.1304 109.4516 111.3084 111.9382 106.9377 107.6939 109.3214 117.3704 117.6487 124.9808 117.6506 117.3729 124.9763 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 11 11 21 21 2 2 21 21 2 2 11 11 1 1 4 4 1 1 3 3 2 2 23 23 2 2 5 5 2 2 7 7 3 3 9 9 4 4 10 10 5 5 6 6 1 1 13 13 1 1 12 12 11 11 15 15 11 11 17 17 12 12 19 19 13 13 20 20 14 14 14 16 16 16 1 1 23 23 1 1 22 22 21 21 25 25 3 3 21 21 22 22 29 29 23 23 28 28 24 24 26 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 5 5 5 5 6 6 6 6 8 8 8 8 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 16 16 16 16 18 18 18 18 18 18 21 21 21 21 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 26 26 26 26 27 27 27 2 2 2 2 11 11 11 11 21 21 21 21 3 3 3 3 4 4 4 4 5 5 5 5 23 23 23 23 6 6 6 6 8 8 8 8 8 8 8 8 37 37 37 37 12 12 12 12 13 13 13 13 14 14 14 14 16 16 16 16 18 18 18 18 18 18 18 18 30 30 30 30 30 30 22 22 22 22 23 23 23 23 24 24 24 24 26 26 26 26 27 27 27 27 27 27 27 27 34 34 34 3 4 3 4 12 13 12 13 22 23 22 23 5 23 5 23 6 7 6 7 8 9 8 9 21 26 21 26 8 10 8 10 6 37 6 37 5 37 5 37 38 39 38 39 14 15 14 15 16 17 16 17 18 19 18 19 18 20 18 20 16 30 16 30 14 30 14 30 31 32 33 31 32 33 24 25 24 25 3 26 3 26 27 29 27 29 27 28 27 28 26 34 26 34 24 34 24 34 35 36 35 -179.9913 6.4364 -0.2566 -173.829 -146.9736 33.3246 33.3427 -146.3592 -174.0304 -0.5441 5.7043 179.1906 -177.3854 0.9311 -3.0356 175.2809 176.6936 -1.7438 3.7581 -174.6793 0.3623 179.5811 -177.5217 1.6971 -1.2726 176.8067 176.8258 -5.0949 -1.8856 179.0878 176.5947 -2.4319 1.5678 -179.6549 -177.6738 1.1035 -0.8108 -179.5848 178.2283 -0.5456 -179.0746 1.0596 -0.2344 179.8998 179.3594 5.1431 -0.9306 -175.1469 178.4145 4.0992 -1.296 -175.6113 2.3756 -177.1399 176.5976 -2.9178 2.0969 -177.3428 176.4188 -3.021 -1.5856 177.132 177.9313 -3.3512 -0.6707 -179.3808 178.7707 0.0606 -79.9372 38.0576 160.7394 98.751 -143.2542 -20.5724 176.5657 -1.8835 3.7245 -174.7247 1.1114 -177.1871 175.3898 -2.9087 -1.9345 179.0309 176.5585 -2.4761 -177.6296 1.6051 0.2334 179.468 -0.7671 -179.5501 178.2804 -0.5026 1.6134 -179.6002 -177.6433 1.143 178.9816 -1.1448 0.1332 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0384607138 PCM (using non-symmetric T matrix) UFF Total charges None On-the-fly selection MethylButanoate 5.560700 1.925989 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 332.22499999999985 AuxInfo=1/0/N:30,14,16,12,13,6,24,4,22,5,26,18,11,8,27,2,21,3,23,1,37,34,38,39,35,36/E:(2,3)(4,5)(6,7)(8,9)(10,11)(14,15)(16,17)(18,19)(21,22)(23,24,25,26)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,23.1,24.1,25.1,26.1/rA:39nC3C3C3C3C3C3HC3HHC3C3C3C3HC3HC3HHC3C3C3C3HC3C3HHCHHHNO1O1NO1O1/rB:s1;s2;s2;s3;s4;s4;s5s6;s5;s6;s1;s11;s11;s12;s12;s13;s13;s14s16;s14;s16;s1;s21;s3s21;s22;s22;s23;s24s26;s26;s24;s18;s30;s30;s30;s27;s34;s34;s8;s37;s37;/rC:-.0078,-.0221,1.0181;.0063,-1.1796,.1232;.0021,-.7152,-1.2205;-.0983,-2.5457,.401;-.0393,-1.5955,-2.2808;-.124,-3.451,-.6652;-.1842,-2.9192,1.4133;-.086,-2.9637,-1.967;-.0493,-1.2715,-3.3135;-.1882,-4.5166,-.4893;-.0117,-.0493,2.4335;-.6936,.9547,3.1865;.6691,-1.0808,3.1483;-.7069,.9075,4.5636;-1.2834,1.7032,2.6716;.6837,-1.0848,4.5272;1.2549,-1.8126,2.6058;-.0082,-.1004,5.2648;-1.2693,1.6503,5.1203;1.242,-1.8511,5.0554;-.0137,1.169,.1685;.0853,2.5238,.4994;.0067,.7567,-1.1919;.1219,3.4692,-.5311;.1584,2.859,1.5261;.0596,1.677,-2.2171;.1,3.0322,-1.851;.0821,1.3925,-3.2612;.1815,4.5274,-.3138;.0177,-.1023,6.7623;.7766,.6103,7.1153;-.9421,.2211,7.1769;.2735,-1.0861,7.164;.1468,4.0434,-2.9278;.1424,3.6383,-4.0891;.1847,5.228,-2.6015;-.123,-3.9331,-3.0821;-.1678,-5.1291,-2.8016;-.1042,-3.4841,-4.2269; 0.000000 1.463094 0.000000 2.343426 1.421704 0.000000 2.599506 1.397987 2.447440 0.000000 3.655015 2.440166 1.378741 2.845733 0.000000 3.821572 2.407935 2.794471 1.398944 2.461754 0.000000 2.929301 2.174173 3.439374 1.082431 3.926742 2.146248 0.000000 4.191677 2.749727 2.370857 2.404684 1.404477 1.390599 3.382036 0.000000 4.508352 3.438414 2.166286 3.927273 1.082411 3.430690 5.007572 2.162862 0.000000 4.743975 3.398363 3.875757 2.164547 3.429892 1.081888 2.484229 2.146053 4.304195 0.000000 1.415681 2.571991 3.714188 3.220334 4.961453 4.602854 3.050795 5.278651 5.875637 5.341433 0.000000 2.475229 3.798512 4.763868 4.512900 6.068223 5.879668 4.290842 6.502499 6.900839 6.610774 1.428305 0.000000 2.473269 3.098426 4.434533 3.206618 5.499263 4.559559 2.668017 5.502935 6.504422 5.076588 1.427811 2.449893 0.000000 3.731471 4.957976 6.049118 5.442649 7.318252 6.832056 4.984171 7.617187 8.199370 7.431166 2.436431 1.377962 2.801794 0.000000 2.708890 4.058043 4.759163 4.961152 6.079111 6.248535 4.915115 6.688115 6.796582 7.062332 2.178310 1.083144 3.433715 2.131931 0.000000 3.731142 4.456759 5.799742 4.446464 6.865277 5.762984 3.716839 6.804239 7.877085 6.140241 2.437121 2.802515 1.378952 2.429921 3.884029 0.000000 2.705768 2.850062 4.173029 2.688755 5.059694 3.909573 2.172024 4.902400 6.085345 4.355841 2.177948 3.433984 1.083064 3.883433 4.336865 2.132558 0.000000 4.247435 5.253589 6.514353 5.444598 7.692320 6.812060 4.776052 7.778406 8.657944 7.255641 2.831762 2.429468 2.428854 1.412733 3.406433 1.411297 3.405483 0.000000 4.606214 5.882733 6.886109 6.422625 8.174676 7.797939 5.983376 8.539368 9.008634 8.406433 3.418984 2.134237 3.886608 1.085375 2.449341 3.412801 4.968594 2.162530 0.000000 4.605144 5.128782 6.497279 4.893087 7.451634 6.095147 4.054647 7.232999 8.487759 6.316183 3.419488 3.887405 2.135071 3.413207 4.969216 1.085306 2.449983 2.161378 4.309396 0.000000 1.463058 2.349127 2.340956 3.722951 3.693619 4.695997 4.276980 4.652502 4.252318 5.726238 2.571812 3.101036 3.795688 4.457072 2.857062 4.956209 4.054618 5.251972 5.131125 5.880443 0.000000 2.599828 3.723224 3.668229 5.073726 4.971287 6.090839 5.525778 6.018747 5.381490 7.114715 3.220339 3.207691 4.511188 4.444945 2.695400 5.440868 4.960782 5.440959 4.893957 6.421437 1.398049 0.000000 2.343214 2.340637 1.472164 3.667957 2.592434 4.242566 4.509527 3.801428 2.935614 5.323448 3.713931 4.438502 4.759487 5.801545 4.181752 6.046268 4.752022 6.513339 6.501636 6.881529 1.421719 2.447305 0.000000 3.821776 4.696024 4.242525 6.090670 5.360898 6.925919 6.684815 6.594544 5.499597 7.991948 4.602853 4.561640 5.877109 5.762389 3.918060 6.829415 6.246728 6.808190 6.097744 7.795476 2.408044 1.398972 2.794250 0.000000 2.930296 4.278018 4.510364 5.526544 5.862995 6.685687 5.789531 6.794581 6.366020 7.653889 3.051313 2.666352 4.291278 3.712621 2.174170 4.983620 4.918608 4.771164 4.051890 5.984630 2.174542 1.082522 3.439542 2.146079 0.000000 3.654853 3.693232 2.592123 4.970951 3.274624 5.360854 5.862135 4.649714 3.147590 6.434839 4.961179 5.503515 6.063428 6.867185 5.069947 7.314569 6.071793 7.690446 7.456905 8.169181 2.440263 2.845586 1.378717 2.461470 3.926692 0.000000 4.191892 4.652446 3.801320 6.018594 4.649720 6.594582 6.793820 5.999915 4.547829 7.676032 5.278718 5.506613 6.498791 6.805360 4.912687 7.613936 6.683505 7.775592 7.237721 8.535204 2.750074 2.404840 2.370880 1.390593 3.382072 1.404373 0.000000 4.507933 4.251552 2.934844 5.380847 3.147105 5.499236 6.364976 4.547497 2.667725 6.532521 5.875130 6.508988 6.895224 7.879457 6.095884 8.195015 6.787486 8.656198 8.493735 9.001821 3.438381 3.927109 2.166112 3.430470 5.007506 1.082383 2.162774 0.000000 4.744185 5.726320 5.323430 7.114579 6.434901 7.991982 7.653012 7.676029 6.532881 9.053228 5.341383 5.077599 6.608766 6.138524 4.362886 7.428571 7.061988 7.250719 6.317588 8.404629 3.398397 2.164472 3.875539 1.081880 2.483748 3.429646 2.146022 4.304059 0.000000 5.744849 6.725908 8.006303 6.815402 9.165717 8.148706 6.048800 9.186938 10.143635 8.492010 4.329243 3.795975 3.800363 2.525667 4.656867 2.530740 4.661827 1.497746 2.724735 2.733240 6.715272 6.791515 8.000454 8.121580 6.017234 9.154123 9.166310 10.134575 8.457630 0.000000 6.179917 7.258513 8.475979 7.470441 9.685960 8.822773 6.774510 9.798296 10.629352 9.222042 4.793313 4.208967 4.313756 2.966493 5.018398 3.095225 5.141532 2.132009 3.040915 3.243194 7.013850 6.921654 8.344080 8.189571 6.056243 9.420524 9.312265 10.429111 8.419531 1.099235 0.000000 6.234063 7.253670 8.502039 7.367512 9.672813 8.697827 6.607245 9.720491 10.633624 9.043519 4.841375 4.064858 4.529988 2.712161 4.755069 3.371926 5.464284 2.152185 2.525706 3.683089 7.132859 7.137706 8.439438 8.431818 6.332567 9.558830 9.512723 10.553477 8.713026 1.094436 1.763306 0.000000 6.243722 7.046491 8.397113 6.928729 9.463719 8.188252 6.053196 9.329053 10.484147 8.399717 4.851229 4.573908 4.035168 3.420191 5.512319 2.668575 4.718990 2.158233 3.747637 2.443266 7.355602 7.581802 8.560873 8.943631 6.882114 9.781956 9.912698 10.717553 9.350768 1.092985 1.770099 1.785099 0.000000 5.667648 6.050462 5.057700 7.386286 5.679009 7.833242 8.211780 7.076538 5.332499 8.906877 6.746750 6.901567 7.965554 8.166030 6.235054 9.064432 8.132764 9.182272 8.514987 9.983824 4.227908 3.749520 3.719633 2.464673 4.608708 2.472393 1.477917 2.672609 2.658682 10.540486 10.632346 10.858230 11.321354 0.000000 6.285213 6.401072 5.215489 7.645924 5.540387 7.877346 8.566439 6.938431 4.974357 8.920193 7.494372 7.799682 8.656063 9.113039 7.175281 9.840767 8.704674 10.074496 9.526719 10.722145 4.924319 4.722245 4.088487 3.562070 5.669015 2.712519 2.319055 2.394290 3.878782 11.478675 11.623634 11.822683 12.205301 1.229921 0.000000 6.379792 6.965104 6.104262 8.338164 6.834730 8.897757 9.090216 8.220706 6.542549 9.977846 7.296515 7.248026 8.549639 8.414296 6.510429 9.535129 8.822217 9.503047 8.633706 10.481407 4.918088 4.115622 4.691617 2.717328 4.759178 3.573946 2.322057 3.893181 2.392617 10.775936 10.774485 11.043375 11.629322 1.229269 2.177566 0.000000 5.667445 4.227570 3.719637 3.749278 2.472461 2.464481 4.608642 1.477918 2.672631 2.658400 6.746657 7.969376 6.897831 9.067994 8.137476 8.164786 6.224628 9.185408 9.988382 8.509759 6.050611 7.386538 5.057983 7.833342 8.212606 5.679254 7.076708 5.332504 8.907026 10.564364 11.199885 11.098402 10.641652 7.982538 7.642638 9.178805 0.000000 6.379365 4.917653 4.691564 4.115233 3.573996 2.716965 4.759048 2.322020 3.893180 2.392094 7.296193 8.552539 7.244977 9.538186 8.824951 8.413779 6.500922 9.506759 10.484766 8.629294 6.965015 8.338239 6.104370 8.897716 9.090917 6.834854 8.220765 6.542484 9.977862 10.806035 11.496808 11.348749 10.763540 9.178733 8.866798 10.364965 1.229250 0.000000 6.285281 4.924125 4.088613 4.722115 2.712629 3.561966 5.668987 2.319101 2.394364 3.878522 7.494511 8.660816 7.795374 9.844966 8.711393 9.111082 7.164256 10.077244 10.728073 9.520540 6.401577 7.646480 5.216120 7.877758 8.567479 5.541005 6.938913 4.974769 8.920657 11.498459 12.090742 12.019915 11.646766 7.642924 7.127989 8.867125 1.229905 2.177506 0.000000 0.1917499 0.1541882 0.0864297 -14.61184 -10.32521 -10.30777 -10.30776 -10.28039 -10.27782 -10.27581 -10.27578 -10.27430 -10.27400 -10.27337 -10.27336 -10.26693 -10.26688 -10.26681 -10.26626 -10.26397 -10.26396 -10.24979 -10.24968 -10.22263 -1.26376 -1.26373 -1.09069 -1.09067 -0.97709 -0.93347 -0.93019 -0.90118 -0.85874 -0.84839 -0.83407 -0.81370 -0.80309 -0.80074 -0.75417 -0.74244 -0.70601 -0.69493 -0.67242 -0.65635 -0.65498 -0.62968 -0.62283 -0.60050 -0.58468 -0.58104 -0.56963 -0.56947 -0.56023 -0.55439 -0.54760 -0.53336 -0.52296 -0.52149 -0.51159 -0.50753 -0.49640 -0.49623 -0.48673 -0.48493 -0.47632 -0.46413 -0.46022 -0.44496 -0.43105 -0.42664 -0.42476 -0.41646 -0.41538 -0.40186 -0.39562 -0.37354 -0.35383 -0.34782 -0.34772 -0.34690 -0.34530 -0.32984 -0.32950 -0.32447 -0.31797 -0.30695 -0.29212 -0.20513 -0.12701 -0.11545 -0.09710 -0.06831 -0.06273 -0.04916 -0.01732 0.00047 0.05241 0.05648 0.06409 0.07686 0.08710 0.09417 0.09632 0.10022 0.11968 0.12247 0.12659 0.13338 0.14002 0.14123 0.15189 0.16044 0.16251 0.17107 0.17499 0.18473 0.19171 0.19730 0.20614 0.22196 0.22728 0.23309 0.23618 0.25056 0.25483 0.26538 0.27875 0.29540 0.31407 0.32284 0.32922 0.33595 0.35204 0.35938 0.41843 0.42470 0.43340 0.43817 0.44617 0.45003 0.45105 0.46064 0.46369 0.46477 0.47285 0.47424 0.48266 0.48675 0.49138 0.50685 0.51508 0.51640 0.51831 0.52361 0.53060 0.53874 0.54037 0.54166 0.55039 0.55182 0.55703 0.55847 0.57035 0.57684 0.58077 0.58524 0.58594 0.59777 0.61444 0.63157 0.63520 0.64756 0.65974 0.66383 0.66801 0.66818 0.68646 0.69192 0.70019 0.71601 0.72277 0.72545 0.72699 0.74038 0.74533 0.75721 0.76413 0.76575 0.77174 0.77258 0.77866 0.79498 0.79919 0.81050 0.81520 0.81944 0.83445 0.83548 0.85232 0.86307 0.86460 0.86959 0.87741 0.88287 0.90021 0.90954 0.91605 0.91682 0.92667 0.92916 0.93443 0.93746 0.94243 0.95053 0.95190 0.96318 0.96535 0.97116 0.97553 0.99126 1.01523 1.02462 1.03525 1.05091 1.05711 1.06401 1.09114 1.10417 1.11117 1.11739 1.13305 1.14113 1.15230 1.16503 1.17281 1.17806 1.18025 1.19652 1.23023 1.23506 1.24193 1.24374 1.27094 1.27488 1.28850 1.29918 1.31734 1.32672 1.33412 1.34077 1.34464 1.35334 1.36866 1.37952 1.38064 1.39469 1.40392 1.40893 1.41443 1.41512 1.42580 1.43316 1.44280 1.47392 1.48016 1.48779 1.52405 1.52825 1.54621 1.56040 1.58818 1.63349 1.65816 1.65833 1.66701 1.66738 1.67711 1.68280 1.69850 1.70367 1.71205 1.73397 1.74317 1.74906 1.75764 1.75825 1.76903 1.77063 1.79330 1.80007 1.80980 1.81547 1.82166 1.83252 1.85265 1.85904 1.86326 1.86961 1.87146 1.89185 1.89400 1.90184 1.90313 1.90772 1.93364 1.93527 1.94792 1.95678 1.97653 2.00255 2.00561 2.02716 2.02996 2.04184 2.04526 2.07368 2.08950 2.09132 2.09809 2.10345 2.11064 2.12565 2.13459 2.14696 2.15081 2.16250 2.17258 2.17700 2.19771 2.20199 2.20681 2.21994 2.22115 2.26052 2.27784 2.28166 2.28252 2.29710 2.31876 2.34151 2.34897 2.37602 2.40103 2.40518 2.42183 2.43590 2.44731 2.46378 2.48861 2.52054 2.53198 2.54871 2.56305 2.56439 2.57522 2.58299 2.63125 2.65112 2.66316 2.67116 2.67562 2.67682 2.68625 2.70873 2.72108 2.73569 2.74248 2.76936 2.77090 2.82502 2.84336 2.84936 2.85186 2.86336 2.86577 2.88453 2.89800 2.91446 3.01005 3.01901 3.04570 3.09831 3.12119 3.14378 3.26138 3.30403 3.35954 3.46470 3.69137 3.71542 3.86372 3.89231 3.94503 3.95977 3.99405 4.01945 4.03042 4.03350 4.04381 4.06422 4.07600 4.08883 4.10014 4.13811 4.20028 4.23950 4.27134 4.30015 4.34071 4.40541 4.46293 4.61273 4.74821 4.76303 0.0151 -0.2158 15.9903 15.9918 -140.3307 -149.1061 -93.9890 -4.9231 0.3150 -0.3617 -12.5221 -21.2975 33.8196 -4.9231 0.3150 -0.3617 -1.1449 -9.3196 435.8409 -0.0232 0.9972 -13.8957 1.2333 2.8319 159.0981 -13.2901 -230.3444 -6883.7305 -6313.6850 -41.4065 3.3269 -79.2706 19.8547 20.4822 -14.1985 -1011.5944 -1339.6808 -2816.7094 9.3057 10.5257 -112.9069 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 332.22499999999985 AuxInfo=1/0/N:30,14,16,12,13,6,24,4,22,5,26,18,11,8,27,2,21,3,23,1,37,34,38,39,35,36/E:(2,3)(4,5)(6,7)(8,9)(10,11)(14,15)(16,17)(18,19)(21,22)(23,24,25,26)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,23.1,24.1,25.1,26.1/rA:39nC3C3C3C3C3C3HC3HHC3C3C3C3HC3HC3HHC3C3C3C3HC3C3HHCHHHNO1O1NO1O1/rB:s1;s2;s2;s3;s4;s4;s5s6;s5;s6;s1;s11;s11;s12;s12;s13;s13;s14s16;s14;s16;s1;s21;s3s21;s22;s22;s23;s24s26;s26;s24;s18;s30;s30;s30;s27;s34;s34;s8;s37;s37;/rC:-.0153,-.0238,1.0174;.0016,-1.1808,.1226;.0003,-.7159,-1.2212;-.1016,-2.5479,.3987;-.0394,-1.5957,-2.2821;-.1256,-3.4524,-.6683;-.1881,-2.9224,1.4108;-.0862,-2.9642,-1.9696;-.0481,-1.2724,-3.3153;-.1897,-4.5187,-.4954;-.0194,-.0518,2.4342;-.7007,.9509,3.1888;.6641,-1.0815,3.1483;-.7087,.9059,4.5663;-1.2928,1.6984,2.6751;.6834,-1.0844,4.5276;1.2484,-1.8138,2.6045;-.0054,-.0993,5.2669;-1.27,1.649,5.1239;1.2438,-1.8499,5.0548;-.0207,1.1677,.1691;.0747,2.5233,.5;.0052,.7561,-1.1919;.1161,3.4688,-.5303;.142,2.8589,1.5272;.0642,1.6767,-2.2165;.1024,3.032,-1.8502;.0936,1.3938,-3.2611;.1741,4.5276,-.3151;.0284,-.0966,6.7644;.7771,.6292,7.1123;-.9343,.2127,7.1834;.3011,-1.0747,7.1684;.1569,4.045,-2.9282;.1631,3.6367,-4.0874;.1902,5.2276,-2.5978;-.1218,-3.9343,-3.0871;-.1801,-5.1281,-2.804;-.088,-3.482,-4.2293; 0.000000 1.462664 0.000000 2.343211 1.421966 0.000000 2.600203 1.398515 2.447543 0.000000 3.654849 2.440588 1.378774 2.845512 0.000000 3.822188 2.408790 2.794652 1.399021 2.461539 0.000000 2.930192 2.174505 3.439658 1.082631 3.926748 2.146514 0.000000 4.192030 2.750611 2.371174 2.404631 1.404543 1.390403 3.382165 0.000000 4.509149 3.439513 2.167315 3.927246 1.082652 3.430023 5.007770 2.162090 0.000000 4.745822 3.400055 3.876073 2.165941 3.429085 1.082081 2.486350 2.144808 4.302328 0.000000 1.417120 2.572657 3.715348 3.221913 4.962633 4.604507 3.052222 5.280200 5.877760 5.344638 0.000000 2.476856 3.799802 4.766334 4.514974 6.070664 5.881944 4.292537 6.504978 6.904528 6.614438 1.427891 0.000000 2.474098 3.098981 4.434776 3.208904 5.499881 4.561965 2.670963 5.504603 6.505558 5.081344 1.427380 2.448437 0.000000 3.733597 4.960312 6.052114 5.446663 7.321608 6.836382 4.988356 7.621223 8.203710 7.437505 2.436793 1.378211 2.800911 0.000000 2.710393 4.059595 4.762618 4.963094 6.082426 6.250788 4.916344 6.691002 6.801489 7.065531 2.177842 1.083250 3.432449 2.132096 0.000000 3.732848 4.458443 5.800942 4.450375 6.866973 5.767092 3.721844 6.807299 7.879164 6.147147 2.437635 2.801764 1.379386 2.429093 3.883410 0.000000 2.705518 2.848706 4.171259 2.688317 5.058164 3.909516 2.171978 4.901758 6.084283 4.358240 2.177340 3.432702 1.083183 3.882700 4.335711 2.132933 0.000000 4.250218 5.256761 6.517391 5.450205 7.695975 6.817996 4.782562 7.783422 8.662156 7.264279 2.833131 2.429973 2.429311 1.412793 3.406886 1.411172 3.405858 0.000000 4.608296 5.885379 6.889675 6.427074 8.178732 7.802869 5.987935 8.544099 9.013809 8.413380 3.419261 2.134541 3.885835 1.085474 2.449448 3.412124 4.967964 2.162458 0.000000 4.606549 5.130008 6.497717 4.896568 7.452567 6.098915 4.059447 7.235485 8.488865 6.323119 3.419944 3.886771 2.135650 3.412533 4.968701 1.085400 2.450517 2.161053 4.308871 0.000000 1.462707 2.349061 2.341269 3.723577 3.693931 4.696622 4.277694 4.653109 4.253953 5.727620 2.572584 3.102939 3.795264 4.458390 2.860089 4.956215 4.053576 5.252977 5.132551 5.880068 0.000000 2.600698 3.723938 3.668866 5.075236 4.971821 6.092155 5.527529 6.019772 5.383219 7.116899 3.221984 3.209906 4.511734 4.445704 2.698444 5.441230 4.961542 5.441339 4.894229 6.421670 1.398612 0.000000 2.342965 2.340789 1.472331 3.668437 2.592605 4.243001 4.510219 3.801870 2.937157 5.324144 3.715074 4.441436 4.759009 5.804137 4.186410 6.046403 4.749993 6.515189 6.504808 6.880832 1.422049 2.447462 0.000000 3.822476 4.696602 4.242981 6.091886 5.361187 6.926859 6.686368 6.595210 5.501155 7.993448 4.604521 4.565000 5.876924 5.764032 3.923539 6.829005 6.246215 6.808402 6.099481 7.794474 2.408915 1.399025 2.794420 0.000000 2.931676 4.279175 4.511456 5.528653 5.864044 6.687657 5.791825 6.796214 6.368199 7.657009 3.052993 2.666756 4.292713 3.711296 2.173264 4.984410 4.921237 4.770548 4.048954 5.985857 2.175085 1.082752 3.440015 2.146182 0.000000 3.654626 3.693320 2.592184 4.971299 3.274720 5.361084 5.862789 4.649959 3.149206 6.435041 4.962265 5.507211 6.062103 6.870048 5.076394 7.313642 6.068628 7.691611 7.460762 8.167009 2.440748 2.845362 1.378742 2.461212 3.926697 0.000000 4.192260 4.652891 3.801682 6.019453 4.649942 6.595187 6.795035 6.000364 4.549396 7.676807 5.280247 5.510706 6.497832 6.808045 4.919710 7.613011 6.681283 7.776275 7.241204 8.533154 2.751019 2.404793 2.371176 1.390398 3.382103 1.404392 0.000000 4.508561 4.252821 2.936123 5.382280 3.148553 5.500619 6.366720 4.548955 2.670561 6.533529 5.877021 6.513714 6.894455 7.883493 6.103552 8.194668 6.784390 8.658324 8.499022 8.999923 3.439518 3.927065 2.167094 3.429778 5.007666 1.082630 2.161988 0.000000 4.746284 5.727751 5.324119 7.116761 6.435061 7.993511 7.655852 7.676811 6.533882 9.055440 5.344834 5.082885 6.610436 6.141964 4.370051 7.430005 7.063420 7.252555 6.320971 8.405522 3.400187 2.166014 3.875786 1.082022 2.485913 3.428590 2.144496 4.301908 0.000000 5.747610 6.729722 8.009633 6.822616 9.170089 8.156622 6.057473 9.193418 10.148334 8.503386 4.330640 3.796476 3.801342 2.525847 4.657230 2.531417 4.662794 1.497831 2.724673 2.733901 6.715571 6.790315 8.001822 8.119865 6.014609 9.154345 9.165405 10.135865 8.457132 0.000000 6.180808 7.261762 8.477063 7.479227 9.688737 8.832474 6.786207 9.805052 10.631677 9.236509 4.794010 4.204889 4.318858 2.960832 5.011667 3.102567 5.148824 2.132715 3.030562 3.255342 7.009643 6.914037 8.340932 8.179863 6.047171 9.414476 9.303536 10.423994 8.409972 1.099258 0.000000 6.238589 7.257559 8.507252 7.372037 9.678143 8.702695 6.611254 9.725716 10.640194 9.050151 4.843715 4.068901 4.529011 2.716734 4.760293 3.369390 5.462328 2.152451 2.533143 3.678279 7.137733 7.143141 8.445259 8.438398 6.336623 9.565465 9.519920 10.561191 8.722016 1.094549 1.762799 0.000000 6.248179 7.052973 8.402710 6.939885 9.470991 8.200615 6.066599 9.339366 10.491422 8.416443 4.854042 4.576442 4.036480 3.422544 5.515522 2.668410 4.719411 2.158957 3.750597 2.440730 7.356847 7.580577 8.563518 8.941406 6.879099 9.782821 9.911644 10.719701 9.349088 1.092899 1.770049 1.784392 0.000000 5.670291 6.053065 5.060063 7.389192 5.680940 7.835677 8.215166 7.078625 5.335412 8.909244 6.750538 6.908431 7.966284 8.171265 6.245369 9.065038 8.131842 9.184818 8.521335 9.982893 4.231179 3.751595 3.722151 2.466432 4.610570 2.474598 1.480228 2.672722 2.657351 10.541069 10.623713 10.868306 11.321362 0.000000 6.284136 6.399883 5.214120 7.644877 5.538821 7.875903 8.565908 6.936867 4.973997 8.918392 7.494666 7.804046 8.652649 9.116098 7.183869 9.837516 8.698718 10.074205 9.531703 10.716823 4.924143 4.721392 4.087432 3.561342 5.668259 2.711391 2.318252 2.391290 3.876101 11.476778 11.612733 11.830394 12.202882 1.229016 0.000000 6.378846 6.964447 6.103817 8.337995 6.834458 8.897519 9.090313 8.220541 6.543845 9.977709 7.296412 7.250484 8.546808 8.414840 6.516003 9.531810 8.818477 9.500989 8.635066 10.476826 4.917598 4.113778 4.690978 2.715409 4.757014 3.573514 2.321079 3.891929 2.387729 10.771446 10.759971 11.049233 11.623756 1.228347 2.179517 0.000000 5.670078 4.230763 3.722130 3.751401 2.474637 2.466301 4.610766 1.480221 2.672649 2.657593 6.750499 7.974133 6.901894 9.074463 8.142584 8.170266 6.226410 9.192944 9.995632 8.514634 6.053388 7.389589 5.060425 7.835807 8.216362 5.681200 7.078768 5.335304 8.909316 10.573645 11.209860 11.105888 10.655114 7.985710 7.642143 9.180250 0.000000 6.378392 4.917286 4.690975 4.113489 3.573548 2.715135 4.757061 2.321087 3.891704 2.387650 7.296155 8.552113 7.246900 9.539890 8.823844 8.417196 6.502098 9.510998 10.486624 8.633302 6.964367 8.338183 6.103897 8.897471 9.091501 6.834537 8.220510 6.543680 9.977676 10.812651 11.506332 11.350821 10.775456 9.180131 8.864986 10.364401 1.228335 0.000000 6.284249 4.923697 4.087457 4.721319 2.711455 3.561317 5.668664 2.318264 2.391440 3.876473 7.494900 8.663364 7.794683 9.848904 8.715441 9.111876 7.160295 10.081057 10.733468 9.520038 6.400777 7.645628 5.214979 7.876394 8.567187 5.539541 6.937400 4.974290 8.918718 11.503719 12.094718 12.025672 11.655667 7.642481 7.124536 8.865404 1.228999 2.179447 0.000000 0.1917449 0.1540890 0.0864031 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 405 405 405 405 405 MxSgAt= 39 MxSgA2= 39. 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. NBasis= 416 RedAO= T EigKep= 2.92D-04 NBF= 416 NBsUse= 416 1.00D-06 EigRej= -1.00D+00 NBFU= 416 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 405 405 405 405 405 MxSgAt= 39 MxSgA2= 39. 1 5.95685544e-03 -8.48843890e-02 6.29107249e+00 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 6 6 6 6 6 6 1 6 1 1 6 6 6 6 1 6 1 6 1 1 6 6 6 6 1 6 6 1 1 6 1 1 1 7 8 8 7 8 8 -0.000003835 0.000029447 -0.001170742 -0.000053457 0.000483552 0.000422700 0.000009209 -0.000068182 -0.000045621 0.000059908 -0.000217976 -0.000231497 -0.000049307 0.000190597 0.000225515 0.000014667 0.000119456 0.000115810 0.000013504 -0.000023579 0.000123900 0.000028920 0.000079186 0.000314937 -0.000063511 -0.000167982 -0.000227057 -0.000022582 -0.000175708 -0.000255767 -0.000018202 -0.000046100 0.000664996 0.000170721 -0.000365962 -0.000098538 -0.000159044 0.000375289 -0.000080236 0.000059881 -0.000081086 0.000074590 0.000014761 0.000037305 -0.000052632 -0.000067684 0.000045260 0.000053018 -0.000008374 -0.000047280 -0.000107893 -0.000016779 -0.000002066 0.000212073 -0.000018429 0.000017599 0.000064509 -0.000015874 -0.000041292 0.000115382 0.000063650 -0.000486975 0.000382155 -0.000071151 0.000219520 -0.000244378 -0.000026745 0.000062630 -0.000055127 -0.000005128 -0.000097391 0.000168511 -0.000011493 0.000057766 0.000151758 0.000040513 -0.000192656 0.000251779 -0.000039809 -0.000098708 0.000311960 0.000077557 0.000184825 -0.000195880 0.000020416 0.000155254 -0.000301135 0.000029035 0.000005635 -0.000139860 0.000018989 0.000000127 0.000093399 0.000032882 -0.000043862 0.000092808 -0.000009457 0.000065944 0.000070683 0.000125423 0.002399349 -0.002509452 -0.000042082 -0.000920737 0.001141500 -0.000037673 -0.001122439 0.001032056 -0.000096308 -0.002276561 -0.002609947 0.000018520 0.001076260 0.001060295 0.000038367 0.000871543 0.001181430 0.002609947 0.000564155 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1180.01716132633 -1180.01716268241 -0.000001356083 -1180.01716269569 -0.000000013275 -1180.01716269875 -0.000000003057 -1180.01716269902 -0.000000000274 -1180.01716269904 -0.000000000017 -1180.01716270 6 1.169056150585e+03 -6.888459722238e+03 2.455436308314e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep R1 ints in memory in canonical form, NReq=3798663820. IVT= 797956 IEndB= 797956 NGot= 5502926848 MDV= 1740518677 LenX= 1740518677 LenY= 1740345180 Requested convergence on RMS density matrix=1.00D-08 within 512 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 86736 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) PT23311.400S 2024-05-22T17:48:33.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 C C C C C C H C H H C C C C H C H C H H C C C C H C C H H C H H H N O O N O O 0.033090 0.093986 0.077726 -0.173679 -0.191121 -0.154496 0.206658 0.301735 0.222774 0.219362 0.101971 -0.140717 -0.139757 -0.170427 0.200695 -0.173942 0.201009 0.198673 0.189557 0.189960 0.094072 -0.173708 0.077394 -0.154339 0.206610 -0.190755 0.301627 0.222645 0.219226 -0.539549 0.210926 0.197699 0.193037 0.395132 -0.383222 -0.390876 0.395156 -0.390892 -0.383237 1.00000 -14.61216 -10.32529 -10.30753 -10.30750 -10.28023 -10.27754 -10.27577 -10.27571 -10.27425 -10.27395 -10.27342 -10.27341 -10.26680 -10.26674 -10.26662 -10.26595 -10.26380 -10.26377 -10.24961 -10.24951 -10.22250 -1.26448 -1.26445 -1.09202 -1.09201 -0.97689 -0.93312 -0.92990 -0.90080 -0.85842 -0.84779 -0.83377 -0.81333 -0.80285 -0.80030 -0.75384 -0.74204 -0.70588 -0.69480 -0.67220 -0.65614 -0.65484 -0.62945 -0.62297 -0.60075 -0.58475 -0.58097 -0.57005 -0.56989 -0.56018 -0.55441 -0.54792 -0.53350 -0.52278 -0.52143 -0.51142 -0.50746 -0.49622 -0.49605 -0.48639 -0.48487 -0.47616 -0.46391 -0.46020 -0.44493 -0.43085 -0.42653 -0.42455 -0.41627 -0.41528 -0.40161 -0.39537 -0.37345 -0.35388 -0.34830 -0.34759 -0.34665 -0.34569 -0.33066 -0.33031 -0.32429 -0.31766 -0.30679 -0.29201 -0.20504 -0.12665 -0.11513 -0.09695 -0.06818 -0.06252 -0.04917 -0.01734 0.00048 0.05240 0.05628 0.06417 0.07704 0.08716 0.09432 0.09641 0.10026 0.11928 0.12235 0.12667 0.13330 0.14007 0.14131 0.15214 0.16045 0.16237 0.17101 0.17486 0.18473 0.19172 0.19771 0.20620 0.22196 0.22781 0.23271 0.23565 0.25067 0.25523 0.26542 0.27890 0.29649 0.31403 0.32282 0.32963 0.33602 0.35218 0.35998 0.41860 0.42491 0.43352 0.43833 0.44641 0.45029 0.45133 0.46065 0.46374 0.46505 0.47306 0.47434 0.48286 0.48686 0.49154 0.50681 0.51522 0.51646 0.51842 0.52385 0.53073 0.53905 0.54053 0.54170 0.55047 0.55181 0.55712 0.55863 0.57035 0.57670 0.58091 0.58532 0.58604 0.59769 0.61415 0.63173 0.63537 0.64751 0.65997 0.66395 0.66785 0.66803 0.68586 0.69191 0.70070 0.71584 0.72252 0.72521 0.72684 0.74049 0.74545 0.75702 0.76420 0.76550 0.77124 0.77253 0.77856 0.79498 0.79921 0.81039 0.81559 0.81945 0.83457 0.83569 0.85189 0.86282 0.86461 0.86963 0.87760 0.88265 0.89967 0.90917 0.91615 0.91664 0.92664 0.92939 0.93439 0.93760 0.94259 0.95076 0.95216 0.96337 0.96562 0.97140 0.97562 0.99149 1.01533 1.02473 1.03557 1.05164 1.05694 1.06426 1.09143 1.10480 1.11104 1.11728 1.13295 1.14153 1.15245 1.16514 1.17330 1.17811 1.18052 1.19695 1.23018 1.23487 1.24167 1.24386 1.27055 1.27495 1.28882 1.29906 1.31711 1.32652 1.33469 1.34074 1.34429 1.35352 1.36877 1.37966 1.38117 1.39511 1.40397 1.40929 1.41457 1.41511 1.42559 1.43318 1.44251 1.47353 1.48037 1.48771 1.52394 1.52780 1.54583 1.56005 1.58788 1.63334 1.65741 1.65818 1.66658 1.66686 1.67680 1.68246 1.69899 1.70348 1.71141 1.73354 1.74292 1.74892 1.75697 1.75784 1.76800 1.76969 1.79301 1.80008 1.80986 1.81550 1.82170 1.83297 1.85339 1.85912 1.86364 1.86968 1.87171 1.89199 1.89428 1.90198 1.90329 1.90786 1.93361 1.93521 1.94819 1.95674 1.97627 2.00272 2.00557 2.02709 2.03041 2.04248 2.04565 2.07398 2.08899 2.09038 2.09712 2.10290 2.10980 2.12609 2.13388 2.14711 2.15051 2.16253 2.17217 2.17687 2.19804 2.20223 2.20781 2.22033 2.22104 2.26060 2.27771 2.28177 2.28294 2.29733 2.31866 2.34196 2.34885 2.37560 2.40104 2.40565 2.42192 2.43598 2.44762 2.46149 2.48742 2.52191 2.53175 2.54926 2.56325 2.56495 2.57553 2.58364 2.63164 2.65267 2.66435 2.67231 2.67689 2.67813 2.68622 2.70901 2.72077 2.73634 2.74288 2.76959 2.77113 2.82509 2.84356 2.84949 2.85236 2.86336 2.86529 2.88401 2.89779 2.91483 3.01096 3.01986 3.04548 3.09761 3.12079 3.14301 3.26116 3.30390 3.35963 3.46409 3.69316 3.71717 3.86223 3.89042 3.94705 3.96205 3.99376 4.01941 4.03055 4.03342 4.04397 4.06417 4.07627 4.08863 4.10023 4.13812 4.20051 4.23957 4.27155 4.30010 4.34083 4.40504 4.46265 4.61279 4.74806 4.76283 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 C C C C C C H C H H C C C C H C H C H H C C C C H C C H H C H H H N O O N O O 0.032665 0.094063 0.077694 -0.173731 -0.191325 -0.154538 0.206609 0.299807 0.222746 0.219338 0.102623 -0.141262 -0.139939 -0.170523 0.200369 -0.174322 0.200648 0.198865 0.189334 0.189768 0.094386 -0.173677 0.077148 -0.154382 0.206459 -0.190907 0.299677 0.222595 0.219185 -0.539751 0.210672 0.197855 0.192832 0.398268 -0.383091 -0.390653 0.398260 -0.390688 -0.383075 1.00000 -6.70676548e-03 -8.46893393e-02 6.24827587e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.0170 -0.2153 15.8815 15.8830 -140.3539 -148.7294 -93.8999 -5.0196 0.4238 -0.3151 -12.6928 -21.0684 33.7612 -5.0196 0.4238 -0.3151 -1.0908 -9.2716 434.0530 -0.1183 1.0517 -13.9318 0.7854 3.3832 157.2740 -13.1224 -230.9992 -6872.1064 -6317.3900 -43.1574 5.4686 -84.4045 17.4139 27.3034 -14.5621 -1011.8165 -1340.7737 -2812.0999 8.6035 12.2360 -114.0439 0 -1180.0171627 6.985E-9 5.499E-6 -9.4367732,-15.6638203,25.1005935,-3.7319414,0.3150946,-0.2342543 C01 [X(C20H13N2O4)] -0.0118572 -0.0830891 6.2307256 -0.000007186 -0.000003528 -0.000005247 0.000000834 0.000001095 -0.000000260 -0.000001396 0.000000151 0.000002696 0.000001128 0.000005397 0.000004479 -0.000000183 -0.000004902 -0.000010504 -0.000007048 -0.000007957 -0.000012999 0.000000291 0.000002224 0.000002675 -0.000002040 0.000017347 0.000019961 -0.000003293 0.000002806 0.000000749 -0.000002915 0.000001605 -0.000000596 0.000003622 0.000001954 0.000007123 -0.000000520 -0.000001363 0.000000034 -0.000001649 -0.000002357 -0.000007417 0.000003685 -0.000000725 0.000002087 0.000001158 -0.000001289 0.000002410 -0.000001882 0.000000133 0.000003392 -0.000002567 -0.000005404 -0.000004384 0.000004347 -0.000003936 -0.000003550 0.000002948 -0.000000850 0.000001204 0.000001314 -0.000002564 -0.000001939 0.000003227 -0.000000200 0.000000196 0.000003327 -0.000000856 0.000002431 0.000000591 0.000001442 0.000003165 0.000000257 0.000009905 -0.000008991 0.000002889 -0.000000785 0.000000153 0.000001277 0.000009009 -0.000009341 0.000000652 -0.000016626 0.000021283 -0.000001490 0.000000854 0.000001763 0.000002879 -0.000000797 0.000002802 0.000004143 -0.000003568 0.000001439 0.000001840 -0.000001687 0.000000015 0.000002336 -0.000002554 0.000000448 0.000002458 -0.000002098 -0.000000973 -0.000002079 0.000012572 -0.000009683 -0.000000015 -0.000001767 0.000002054 0.000004183 0.000000539 0.000005608 -0.000005362 -0.000008587 -0.000013689 -0.000001748 0.000001683 0.000001825 -0.000008015 0.000005688 -0.000000418 332.22499999999985 AuxInfo=1/0/N:30,14,16,12,13,6,24,4,22,5,26,18,11,8,27,2,21,3,23,1,37,34,38,39,35,36/E:(2,3)(4,5)(6,7)(8,9)(10,11)(14,15)(16,17)(18,19)(21,22)(23,24,25,26)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,23.1,24.1,25.1,26.1/rA:39nC3C3C3C3C3C3HC3HHC3C3C3C3HC3HC3HHC3C3C3C3HC3C3HHCHHHNO1O1NO1O1/rB:s1;s2;s2;s3;s4;s4;s5s6;s5;s6;s1;s11;s11;s12;s12;s13;s13;s14s16;s14;s16;s1;s21;s3s21;s22;s22;s23;s24s26;s26;s24;s18;s30;s30;s30;s27;s34;s34;s8;s37;s37;/rC:-.0153,-.0238,1.0174;.0016,-1.1808,.1226;.0003,-.7159,-1.2212;-.1016,-2.5479,.3987;-.0395,-1.5957,-2.2821;-.1256,-3.4524,-.6683;-.1881,-2.9224,1.4108;-.0862,-2.9642,-1.9696;-.0481,-1.2724,-3.3153;-.1897,-4.5187,-.4954;-.0194,-.0518,2.4342;-.7007,.9509,3.1888;.6641,-1.0815,3.1483;-.7087,.9059,4.5663;-1.2928,1.6984,2.6751;.6834,-1.0844,4.5276;1.2484,-1.8138,2.6045;-.0054,-.0993,5.2669;-1.27,1.649,5.1239;1.2438,-1.8499,5.0548;-.0207,1.1677,.1691;.0747,2.5233,.5;.0052,.7561,-1.1919;.1161,3.4688,-.5303;.142,2.8589,1.5272;.0642,1.6767,-2.2165;.1024,3.032,-1.8502;.0936,1.3938,-3.2611;.1741,4.5276,-.3151;.0284,-.0966,6.7644;.7771,.6292,7.1123;-.9343,.2127,7.1834;.3011,-1.0747,7.1684;.1569,4.045,-2.9282;.1631,3.6367,-4.0874;.1902,5.2276,-2.5978;-.1218,-3.9343,-3.0871;-.1801,-5.1281,-2.804;-.088,-3.482,-4.2293; Gaussian 09 GINC-KIMIK2183 EGARCIAP Opt freq EM64L-G09RevD.01 RB3LYP 6-31G(d) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-31G(d) 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 0 332.22499999999985 AuxInfo=1/0/N:30,14,16,12,13,6,24,4,22,5,26,18,11,8,27,2,21,3,23,1,37,34,38,39,35,36/E:(2,3)(4,5)(6,7)(8,9)(10,11)(14,15)(16,17)(18,19)(21,22)(23,24,25,26)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,23.1,24.1,25.1,26.1/rA:39nC3C3C3C3C3C3HC3HHC3C3C3C3HC3HC3HHC3C3C3C3HC3C3HHCHHHNO1O1NO1O1/rB:s1;s2;s2;s3;s4;s4;s5s6;s5;s6;s1;s11;s11;s12;s12;s13;s13;s14s16;s14;s16;s1;s21;s3s21;s22;s22;s23;s24s26;s26;s24;s18;s30;s30;s30;s27;s34;s34;s8;s37;s37;/rC:-.0153,-.0238,1.0174;.0016,-1.1808,.1226;.0003,-.7159,-1.2212;-.1016,-2.5479,.3987;-.0394,-1.5957,-2.2821;-.1256,-3.4524,-.6683;-.1881,-2.9224,1.4108;-.0862,-2.9642,-1.9696;-.0481,-1.2724,-3.3153;-.1897,-4.5187,-.4954;-.0194,-.0518,2.4342;-.7007,.9509,3.1888;.6641,-1.0815,3.1483;-.7087,.9059,4.5663;-1.2928,1.6984,2.6751;.6834,-1.0844,4.5276;1.2484,-1.8138,2.6045;-.0054,-.0993,5.2669;-1.27,1.649,5.1239;1.2438,-1.8499,5.0548;-.0207,1.1677,.1691;.0747,2.5233,.5;.0052,.7561,-1.1919;.1161,3.4688,-.5303;.142,2.8589,1.5272;.0642,1.6767,-2.2165;.1024,3.032,-1.8502;.0936,1.3938,-3.2611;.1741,4.5276,-.3151;.0284,-.0966,6.7644;.7771,.6292,7.1123;-.9343,.2127,7.1834;.3011,-1.0747,7.1684;.1569,4.045,-2.9282;.1631,3.6367,-4.0874;.1902,5.2276,-2.5978;-.1218,-3.9343,-3.0871;-.1801,-5.1281,-2.804;-.088,-3.482,-4.2293; Opt freq Redundant internal coordinates found in file. 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 12 12 12 12 12 12 1 12 1 1 12 12 12 12 1 12 1 12 1 1 12 12 12 12 1 12 12 1 1 12 1 1 1 14 16 16 14 16 16 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 14.0030740 15.9949146 15.9949146 14.0030740 15.9949146 15.9949146 0 0 0 0 0 0 1 0 1 1 0 0 0 0 1 0 1 0 1 1 0 0 0 0 1 0 0 1 1 0 1 1 1 2 0 0 2 0 0 -3.6000000 -3.6000000 -3.6000000 -3.6000000 -3.6000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -3.6000000 -3.6000000 -3.6000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -3.6000000 -3.6000000 -3.6000000 -3.6000000 -1.0000000 -3.6000000 -3.6000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 -4.5500000 -5.6000000 -5.6000000 -4.5500000 -5.6000000 -5.6000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Structure from the checkpoint file: "/scratch/Gau-173958.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 1 1 2 2 3 3 4 4 5 5 6 6 8 11 11 12 12 13 13 14 14 16 16 18 21 21 22 22 23 24 24 26 26 27 30 30 30 34 34 37 37 2 11 21 3 4 5 23 6 7 8 9 8 10 37 12 13 14 15 16 17 18 19 18 20 30 22 23 24 25 26 27 29 27 28 34 31 32 33 35 36 38 39 1.4627 1.4171 1.4627 1.422 1.3985 1.3788 1.4723 1.399 1.0826 1.4045 1.0827 1.3904 1.0821 1.4802 1.4279 1.4274 1.3782 1.0832 1.3794 1.0832 1.4128 1.0855 1.4112 1.0854 1.4978 1.3986 1.422 1.399 1.0828 1.3787 1.3904 1.082 1.4044 1.0826 1.4802 1.0993 1.0945 1.0929 1.229 1.2283 1.2283 1.229 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 11 1 1 3 2 2 5 2 2 6 3 3 8 4 4 8 5 5 6 1 1 12 11 11 14 11 11 16 12 12 18 13 13 18 14 14 16 1 1 22 21 21 24 3 3 21 22 22 27 23 23 27 24 24 26 18 18 18 31 31 32 27 27 35 8 8 38 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 11 11 11 12 12 12 13 13 13 14 14 14 16 16 16 18 18 18 21 21 21 22 22 22 23 23 23 24 24 24 26 26 26 27 27 27 30 30 30 30 30 30 34 34 34 37 37 37 11 21 21 3 4 4 5 23 23 6 7 7 8 9 9 8 10 10 6 37 37 12 13 13 14 15 15 16 17 17 18 19 19 18 20 20 16 30 30 22 23 23 24 25 25 21 26 26 27 29 29 27 28 28 26 34 34 31 32 33 32 33 33 35 36 36 38 39 39 126.5875 106.8343 126.5776 108.6361 130.6633 120.3999 121.2377 107.9371 130.7985 118.8671 121.9077 119.207 116.8401 122.9566 120.1987 119.0954 121.083 119.8144 123.4556 118.124 118.4095 121.0556 120.8665 118.0773 120.5341 119.6569 119.5577 120.5567 119.6582 119.5424 121.0623 119.6145 119.3214 121.0403 119.6255 119.3319 118.6716 120.3806 120.9352 130.6986 108.6124 120.3805 118.8701 121.9456 119.1665 107.965 130.7606 121.2473 119.1086 121.0943 119.7901 116.8525 122.9394 120.2037 123.4393 118.4196 118.1304 109.4516 111.3084 111.9382 106.9377 107.6939 109.3214 117.3704 117.6487 124.9808 117.6506 117.3729 124.9763 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 11 11 21 21 2 2 21 21 2 2 11 11 1 1 4 4 1 1 3 3 2 2 23 23 2 2 5 5 2 2 7 7 3 3 9 9 4 4 10 10 5 5 6 6 1 1 13 13 1 1 12 12 11 11 15 15 11 11 17 17 12 12 19 19 13 13 20 20 14 14 14 16 16 16 1 1 23 23 1 1 22 22 21 21 25 25 3 3 21 21 22 22 29 29 23 23 28 28 24 24 26 26 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 5 5 5 5 6 6 6 6 8 8 8 8 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 16 16 16 16 18 18 18 18 18 18 21 21 21 21 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 26 26 26 26 27 27 27 27 2 2 2 2 11 11 11 11 21 21 21 21 3 3 3 3 4 4 4 4 5 5 5 5 23 23 23 23 6 6 6 6 8 8 8 8 8 8 8 8 37 37 37 37 12 12 12 12 13 13 13 13 14 14 14 14 16 16 16 16 18 18 18 18 18 18 18 18 30 30 30 30 30 30 22 22 22 22 23 23 23 23 24 24 24 24 26 26 26 26 27 27 27 27 27 27 27 27 34 34 34 34 3 4 3 4 12 13 12 13 22 23 22 23 5 23 5 23 6 7 6 7 8 9 8 9 21 26 21 26 8 10 8 10 6 37 6 37 5 37 5 37 38 39 38 39 14 15 14 15 16 17 16 17 18 19 18 19 18 20 18 20 16 30 16 30 14 30 14 30 31 32 33 31 32 33 24 25 24 25 3 26 3 26 27 29 27 29 27 28 27 28 26 34 26 34 24 34 24 34 35 36 35 36 -179.9913 6.4364 -0.2566 -173.829 -146.9736 33.3246 33.3427 -146.3592 -174.0304 -0.5441 5.7043 179.1906 -177.3854 0.9311 -3.0356 175.2809 176.6936 -1.7438 3.7581 -174.6793 0.3623 179.5811 -177.5217 1.6971 -1.2726 176.8067 176.8258 -5.0949 -1.8856 179.0878 176.5947 -2.4319 1.5678 -179.6549 -177.6738 1.1035 -0.8108 -179.5848 178.2283 -0.5456 -179.0746 1.0596 -0.2344 179.8998 179.3594 5.1431 -0.9306 -175.1469 178.4145 4.0992 -1.296 -175.6113 2.3756 -177.1399 176.5976 -2.9178 2.0969 -177.3428 176.4188 -3.021 -1.5856 177.132 177.9313 -3.3512 -0.6707 -179.3808 178.7707 0.0606 -79.9372 38.0576 160.7394 98.751 -143.2542 -20.5724 176.5657 -1.8835 3.7245 -174.7247 1.1114 -177.1871 175.3898 -2.9087 -1.9345 179.0309 176.5585 -2.4761 -177.6296 1.6051 0.2334 179.468 -0.7671 -179.5501 178.2804 -0.5026 1.6134 -179.6002 -177.6433 1.143 178.9816 -1.1448 0.1332 -179.9933 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 3.00e-01 1.00e-07 1.00e-07 2 2 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. 0.00051 0.00141 0.00155 0.00965 0.01009 0.01203 0.01308 0.01412 0.01525 0.01636 0.01728 0.01762 0.01782 0.01972 0.02034 0.02038 0.02094 0.02104 0.02152 0.02256 0.02288 0.02316 0.02418 0.02465 0.02478 0.02589 0.02685 0.02706 0.02848 0.02891 0.03139 0.03800 0.05542 0.05931 0.10988 0.11004 0.11184 0.11485 0.11536 0.12030 0.12099 0.12304 0.12368 0.12386 0.12542 0.12706 0.13276 0.14310 0.15343 0.15607 0.16663 0.17204 0.17285 0.17454 0.18236 0.18589 0.18978 0.19358 0.20158 0.20196 0.20264 0.21853 0.22361 0.22909 0.23218 0.23326 0.23839 0.26746 0.28718 0.29548 0.30463 0.30790 0.31703 0.33433 0.33942 0.34452 0.35027 0.35276 0.35697 0.36250 0.36389 0.36515 0.36586 0.36879 0.36982 0.37113 0.37134 0.37507 0.38657 0.38906 0.39167 0.39465 0.40548 0.41321 0.42744 0.43522 0.44148 0.44288 0.45194 0.46351 0.47162 0.47504 0.48912 0.50030 0.51766 0.52001 0.52573 0.60746 0.60782 0.78374 0.78442 Angle between quadratic step and forces= 79.88 degrees. 1 2 0.00079293 0.00000091 0.00000087 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 2.76403 2.67797 2.76412 2.68713 2.64281 2.60551 2.78230 2.64377 2.04588 2.65420 2.04592 2.62748 2.04484 2.79721 2.69832 2.69736 2.60444 2.04704 2.60666 2.04692 2.66979 2.05125 2.66673 2.05111 2.83049 2.64299 2.68728 2.64377 2.04610 2.60545 2.62747 2.04472 2.65392 2.04587 2.79723 2.07730 2.06840 2.06528 2.32250 2.32124 2.32122 2.32247 2.20937 1.86461 2.20920 1.89606 2.28051 2.10138 2.11600 1.88386 2.28287 2.07462 2.12769 2.08056 2.03924 2.14600 2.09786 2.07861 2.11330 2.09116 2.15471 2.06165 2.06664 2.11282 2.10952 2.06084 2.10372 2.08841 2.08668 2.10411 2.08843 2.08641 2.11294 2.08767 2.08255 2.11255 2.08786 2.08274 2.07121 2.10104 2.11072 2.28112 1.89564 2.10104 2.07467 2.12835 2.07985 1.88434 2.28220 2.11616 2.07884 2.11349 2.09073 2.03946 2.14570 2.09795 2.15442 2.06681 2.06176 1.91029 1.94270 1.95369 1.86641 1.87961 1.90802 2.04850 2.05336 2.18133 2.05339 2.04854 2.18125 -3.14144 0.11234 -0.00448 -3.03389 -2.56517 0.58162 0.58194 -2.55445 -3.03740 -0.00950 0.09956 3.12747 -3.09596 0.01625 -0.05298 3.05923 3.08388 -0.03044 0.06559 -3.04873 0.00632 3.13428 -3.09834 0.02962 -0.02221 3.08586 3.08619 -0.08892 -0.03291 3.12567 3.08216 -0.04244 0.02736 -3.13557 -3.10099 0.01926 -0.01415 -3.13435 3.11067 -0.00952 -3.12544 0.01849 -0.00409 3.13984 3.13041 0.08976 -0.01624 -3.05689 3.11392 0.07155 -0.02262 -3.06500 0.04146 -3.09167 3.08221 -0.05093 0.03660 -3.09522 3.07909 -0.05273 -0.02767 3.09154 3.10549 -0.05849 -0.01171 -3.13079 3.12014 0.00106 -1.39517 0.66423 2.80543 1.72353 -2.50026 -0.35906 3.08165 -0.03287 0.06501 -3.04952 0.01940 -3.09250 3.06113 -0.05077 -0.03376 3.12468 3.08153 -0.04322 -3.10022 0.02801 0.00407 3.13231 -0.01339 -3.13374 3.11158 -0.00877 0.02816 -3.13462 -3.10046 0.01995 3.12382 -0.01998 0.00232 -3.14148 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00000 0.00002 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 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 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 0.00001 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 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00001 0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00002 0.00000 0.00006 0.00001 -0.00002 -0.00001 0.00000 0.00002 0.00000 0.00001 0.00000 -0.00002 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00002 0.00000 -0.00001 0.00000 0.00006 -0.00001 0.00003 -0.00002 0.00000 0.00000 0.00000 -0.00001 -0.00002 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00002 0.00000 0.00003 -0.00002 0.00000 0.00002 0.00004 -0.00001 -0.00003 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00002 0.00000 -0.00010 0.00010 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00002 0.00000 0.00002 -0.00003 0.00000 0.00002 0.00004 -0.00002 -0.00002 0.00005 -0.00013 0.00007 -0.00008 0.00012 -0.00003 -0.00001 -0.00001 0.00002 -0.00002 0.00000 0.00002 -0.00017 -0.00016 -0.00013 -0.00012 0.00003 -0.00005 -0.00002 -0.00010 0.00007 0.00012 0.00011 0.00016 0.00014 0.00009 0.00012 0.00008 -0.00001 -0.00001 0.00001 0.00001 -0.00014 -0.00016 -0.00008 -0.00010 -0.00002 0.00002 -0.00007 -0.00003 -0.00012 -0.00008 -0.00011 -0.00008 0.00003 -0.00004 0.00005 -0.00003 0.00010 0.00017 0.00006 0.00014 -0.00250 -0.00253 -0.00257 -0.00260 -0.00006 -0.00006 0.00002 0.00002 0.00006 0.00004 -0.00002 -0.00004 -0.00003 -0.00001 -0.00002 -0.00001 0.00002 0.00003 0.00004 0.00005 0.00003 0.00013 0.00001 0.00011 -0.00003 -0.00012 -0.00003 -0.00013 0.00224 0.00209 0.00201 0.00234 0.00220 0.00211 0.00006 0.00005 0.00000 0.00000 -0.00007 -0.00010 -0.00002 -0.00006 0.00004 0.00003 0.00005 0.00004 0.00001 0.00004 0.00006 0.00008 -0.00004 -0.00007 -0.00003 -0.00006 -0.00001 0.00002 -0.00003 0.00000 0.00084 0.00085 0.00081 0.00082 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00001 0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00002 0.00000 0.00006 0.00001 -0.00002 -0.00001 0.00000 0.00002 0.00000 0.00001 0.00000 -0.00002 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00002 0.00000 -0.00001 0.00000 0.00006 -0.00001 0.00003 -0.00002 0.00000 0.00000 0.00000 -0.00001 -0.00002 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00002 0.00000 0.00003 -0.00002 0.00000 0.00002 0.00004 -0.00001 -0.00003 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00002 0.00000 -0.00010 0.00010 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00002 0.00000 0.00002 -0.00003 0.00000 0.00002 0.00004 -0.00002 -0.00002 0.00005 -0.00013 0.00007 -0.00008 0.00012 -0.00003 -0.00001 -0.00001 0.00002 -0.00002 0.00000 0.00002 -0.00017 -0.00016 -0.00013 -0.00012 0.00003 -0.00005 -0.00002 -0.00010 0.00007 0.00012 0.00011 0.00016 0.00014 0.00009 0.00012 0.00008 -0.00001 -0.00001 0.00001 0.00001 -0.00014 -0.00016 -0.00008 -0.00010 -0.00002 0.00002 -0.00007 -0.00003 -0.00012 -0.00008 -0.00011 -0.00008 0.00003 -0.00004 0.00005 -0.00003 0.00010 0.00017 0.00006 0.00014 -0.00250 -0.00253 -0.00257 -0.00260 -0.00006 -0.00006 0.00002 0.00002 0.00006 0.00004 -0.00002 -0.00004 -0.00003 -0.00001 -0.00002 -0.00001 0.00002 0.00003 0.00004 0.00005 0.00003 0.00013 0.00001 0.00011 -0.00003 -0.00012 -0.00003 -0.00013 0.00224 0.00209 0.00201 0.00234 0.00220 0.00211 0.00006 0.00005 0.00000 0.00000 -0.00007 -0.00010 -0.00002 -0.00006 0.00004 0.00003 0.00005 0.00004 0.00001 0.00004 0.00006 0.00008 -0.00004 -0.00007 -0.00003 -0.00006 -0.00001 0.00002 -0.00003 0.00000 0.00084 0.00085 0.00081 0.00082 2.76402 2.67798 2.76411 2.68713 2.64281 2.60551 2.78231 2.64378 2.04588 2.65419 2.04591 2.62746 2.04483 2.79728 2.69833 2.69734 2.60443 2.04704 2.60668 2.04692 2.66980 2.05125 2.66670 2.05111 2.83050 2.64300 2.68728 2.64379 2.04610 2.60546 2.62745 2.04472 2.65390 2.04587 2.79729 2.07729 2.06843 2.06526 2.32250 2.32123 2.32121 2.32246 2.20935 1.86461 2.20921 1.89606 2.28049 2.10139 2.11600 1.88386 2.28287 2.07462 2.12768 2.08057 2.03922 2.14599 2.09789 2.07858 2.11330 2.09118 2.15475 2.06164 2.06660 2.11282 2.10951 2.06085 2.10371 2.08841 2.08668 2.10411 2.08843 2.08641 2.11294 2.08767 2.08254 2.11255 2.08784 2.08275 2.07121 2.10094 2.11081 2.28112 1.89564 2.10104 2.07467 2.12834 2.07986 1.88434 2.28221 2.11616 2.07881 2.11349 2.09076 2.03944 2.14570 2.09797 2.15447 2.06679 2.06174 1.91034 1.94257 1.95376 1.86633 1.87974 1.90799 2.04849 2.05335 2.18135 2.05337 2.04855 2.18127 3.14157 0.11218 -0.00461 -3.03401 -2.56515 0.58157 0.58192 -2.55455 -3.03733 -0.00937 0.09967 3.12763 -3.09582 0.01634 -0.05286 3.05931 3.08388 -0.03044 0.06560 -3.04872 0.00618 3.13412 -3.09842 0.02952 -0.02223 3.08588 3.08612 -0.08895 -0.03303 3.12559 3.08204 -0.04252 0.02739 -3.13561 -3.10095 0.01923 -0.01405 -3.13417 3.11073 -0.00939 -3.12795 0.01596 -0.00667 3.13724 3.13036 0.08970 -0.01622 -3.05688 3.11398 0.07158 -0.02264 -3.06503 0.04144 -3.09168 3.08219 -0.05093 0.03662 -3.09519 3.07913 -0.05268 -0.02765 3.09167 3.10550 -0.05838 -0.01173 -3.13091 3.12011 0.00093 -1.39293 0.66632 2.80744 1.72587 -2.49806 -0.35695 3.08171 -0.03282 0.06501 -3.04952 0.01933 -3.09260 3.06111 -0.05082 -0.03372 3.12471 3.08158 -0.04318 -3.10021 0.02805 0.00413 3.13239 -0.01343 -3.13381 3.11155 -0.00884 0.02815 -3.13459 -3.10049 0.01995 3.12466 -0.01913 0.00313 -3.14066 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000019 0.000003 0.006507 0.000793 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -3.261408e-08 6-31G(d) (6D, 7F) 0.10000e-02 0.10000e-05 F 39 39 39 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0384450404 PCM (using non-symmetric T matrix) UFF Total charges None Matrix inversion MethylButanoate 5.560700 1.925989 0.000000 1.462664 0.000000 2.343211 1.421966 0.000000 2.600203 1.398515 2.447543 0.000000 3.654849 2.440588 1.378774 2.845512 0.000000 3.822188 2.408790 2.794652 1.399021 2.461539 0.000000 2.930192 2.174505 3.439658 1.082631 3.926748 2.146514 0.000000 4.192030 2.750611 2.371174 2.404631 1.404543 1.390403 3.382165 0.000000 4.509149 3.439513 2.167315 3.927246 1.082652 3.430023 5.007770 2.162090 0.000000 4.745822 3.400055 3.876073 2.165941 3.429085 1.082081 2.486350 2.144808 4.302328 0.000000 1.417120 2.572657 3.715348 3.221913 4.962633 4.604507 3.052222 5.280200 5.877760 5.344638 0.000000 2.476856 3.799802 4.766334 4.514974 6.070664 5.881944 4.292537 6.504978 6.904528 6.614438 1.427891 0.000000 2.474098 3.098981 4.434776 3.208904 5.499881 4.561965 2.670963 5.504603 6.505558 5.081344 1.427380 2.448437 0.000000 3.733597 4.960312 6.052114 5.446663 7.321608 6.836382 4.988356 7.621223 8.203710 7.437505 2.436793 1.378211 2.800911 0.000000 2.710393 4.059595 4.762618 4.963094 6.082426 6.250788 4.916344 6.691002 6.801489 7.065531 2.177842 1.083250 3.432449 2.132096 0.000000 3.732848 4.458443 5.800942 4.450375 6.866973 5.767092 3.721844 6.807299 7.879164 6.147147 2.437635 2.801764 1.379386 2.429093 3.883410 0.000000 2.705518 2.848706 4.171259 2.688317 5.058164 3.909516 2.171978 4.901758 6.084283 4.358240 2.177340 3.432702 1.083183 3.882700 4.335711 2.132933 0.000000 4.250218 5.256761 6.517391 5.450205 7.695975 6.817996 4.782562 7.783422 8.662156 7.264279 2.833131 2.429973 2.429311 1.412793 3.406886 1.411172 3.405858 0.000000 4.608296 5.885379 6.889675 6.427074 8.178732 7.802869 5.987935 8.544099 9.013809 8.413380 3.419261 2.134541 3.885835 1.085474 2.449448 3.412124 4.967964 2.162458 0.000000 4.606549 5.130008 6.497717 4.896568 7.452567 6.098915 4.059447 7.235485 8.488865 6.323119 3.419944 3.886771 2.135650 3.412533 4.968701 1.085400 2.450517 2.161053 4.308871 0.000000 1.462707 2.349061 2.341269 3.723577 3.693931 4.696622 4.277694 4.653109 4.253953 5.727620 2.572584 3.102939 3.795264 4.458390 2.860089 4.956215 4.053576 5.252977 5.132551 5.880068 0.000000 2.600698 3.723938 3.668866 5.075236 4.971821 6.092155 5.527529 6.019772 5.383219 7.116899 3.221984 3.209906 4.511734 4.445704 2.698444 5.441230 4.961542 5.441339 4.894229 6.421670 1.398612 0.000000 2.342965 2.340789 1.472331 3.668437 2.592605 4.243001 4.510219 3.801870 2.937157 5.324144 3.715074 4.441436 4.759009 5.804137 4.186410 6.046403 4.749993 6.515189 6.504808 6.880832 1.422049 2.447462 0.000000 3.822476 4.696602 4.242981 6.091886 5.361187 6.926859 6.686368 6.595210 5.501155 7.993448 4.604521 4.565000 5.876924 5.764032 3.923539 6.829005 6.246215 6.808402 6.099481 7.794474 2.408915 1.399025 2.794420 0.000000 2.931676 4.279175 4.511456 5.528653 5.864044 6.687657 5.791825 6.796214 6.368199 7.657009 3.052993 2.666756 4.292713 3.711296 2.173264 4.984410 4.921237 4.770548 4.048954 5.985857 2.175085 1.082752 3.440015 2.146182 0.000000 3.654626 3.693320 2.592184 4.971299 3.274720 5.361084 5.862789 4.649959 3.149206 6.435041 4.962265 5.507211 6.062103 6.870048 5.076394 7.313642 6.068628 7.691611 7.460762 8.167009 2.440748 2.845362 1.378742 2.461212 3.926697 0.000000 4.192260 4.652891 3.801682 6.019453 4.649942 6.595187 6.795035 6.000364 4.549396 7.676807 5.280247 5.510706 6.497832 6.808045 4.919710 7.613011 6.681283 7.776275 7.241204 8.533154 2.751019 2.404793 2.371176 1.390398 3.382103 1.404392 0.000000 4.508561 4.252821 2.936123 5.382280 3.148553 5.500619 6.366720 4.548955 2.670561 6.533529 5.877021 6.513714 6.894455 7.883493 6.103552 8.194668 6.784390 8.658324 8.499022 8.999923 3.439518 3.927065 2.167094 3.429778 5.007666 1.082630 2.161988 0.000000 4.746284 5.727751 5.324119 7.116761 6.435061 7.993511 7.655852 7.676811 6.533882 9.055440 5.344834 5.082885 6.610436 6.141964 4.370051 7.430005 7.063420 7.252555 6.320971 8.405522 3.400187 2.166014 3.875786 1.082022 2.485913 3.428590 2.144496 4.301908 0.000000 5.747610 6.729722 8.009633 6.822616 9.170089 8.156622 6.057473 9.193418 10.148334 8.503386 4.330640 3.796476 3.801342 2.525847 4.657230 2.531417 4.662794 1.497831 2.724673 2.733901 6.715571 6.790315 8.001822 8.119865 6.014609 9.154345 9.165405 10.135865 8.457132 0.000000 6.180808 7.261762 8.477063 7.479227 9.688737 8.832474 6.786207 9.805052 10.631677 9.236509 4.794010 4.204889 4.318858 2.960832 5.011667 3.102567 5.148824 2.132715 3.030562 3.255342 7.009643 6.914037 8.340932 8.179863 6.047171 9.414476 9.303536 10.423994 8.409972 1.099258 0.000000 6.238589 7.257559 8.507252 7.372037 9.678143 8.702695 6.611254 9.725716 10.640194 9.050151 4.843715 4.068901 4.529011 2.716734 4.760293 3.369390 5.462328 2.152451 2.533143 3.678279 7.137733 7.143141 8.445259 8.438398 6.336623 9.565465 9.519920 10.561191 8.722016 1.094549 1.762799 0.000000 6.248179 7.052973 8.402710 6.939885 9.470991 8.200615 6.066599 9.339366 10.491422 8.416443 4.854042 4.576442 4.036480 3.422544 5.515522 2.668410 4.719411 2.158957 3.750597 2.440730 7.356847 7.580577 8.563518 8.941406 6.879099 9.782821 9.911644 10.719701 9.349088 1.092899 1.770049 1.784392 0.000000 5.670291 6.053065 5.060063 7.389192 5.680940 7.835677 8.215166 7.078625 5.335412 8.909244 6.750538 6.908431 7.966284 8.171265 6.245369 9.065038 8.131842 9.184818 8.521335 9.982893 4.231179 3.751595 3.722151 2.466432 4.610570 2.474598 1.480228 2.672722 2.657351 10.541069 10.623713 10.868306 11.321362 0.000000 6.284136 6.399883 5.214120 7.644877 5.538821 7.875903 8.565908 6.936867 4.973997 8.918392 7.494666 7.804046 8.652649 9.116098 7.183869 9.837516 8.698718 10.074205 9.531703 10.716823 4.924143 4.721392 4.087432 3.561342 5.668259 2.711391 2.318252 2.391290 3.876101 11.476778 11.612733 11.830394 12.202882 1.229016 0.000000 6.378846 6.964447 6.103817 8.337995 6.834458 8.897519 9.090313 8.220541 6.543845 9.977709 7.296412 7.250484 8.546808 8.414840 6.516003 9.531810 8.818477 9.500989 8.635066 10.476826 4.917598 4.113778 4.690978 2.715409 4.757014 3.573514 2.321079 3.891929 2.387729 10.771446 10.759971 11.049233 11.623756 1.228347 2.179517 0.000000 5.670078 4.230763 3.722130 3.751401 2.474637 2.466301 4.610766 1.480221 2.672649 2.657593 6.750499 7.974133 6.901894 9.074463 8.142584 8.170266 6.226410 9.192944 9.995632 8.514634 6.053388 7.389589 5.060425 7.835807 8.216362 5.681200 7.078768 5.335304 8.909316 10.573645 11.209860 11.105888 10.655114 7.985710 7.642143 9.180250 0.000000 6.378392 4.917286 4.690975 4.113489 3.573548 2.715135 4.757061 2.321087 3.891704 2.387650 7.296155 8.552113 7.246900 9.539890 8.823844 8.417196 6.502098 9.510998 10.486624 8.633302 6.964367 8.338183 6.103897 8.897471 9.091501 6.834537 8.220510 6.543680 9.977676 10.812651 11.506332 11.350821 10.775456 9.180131 8.864986 10.364401 1.228335 0.000000 6.284249 4.923697 4.087457 4.721319 2.711455 3.561317 5.668664 2.318264 2.391440 3.876473 7.494900 8.663364 7.794683 9.848904 8.715441 9.111876 7.160295 10.081057 10.733468 9.520038 6.400777 7.645628 5.214979 7.876394 8.567187 5.539541 6.937400 4.974290 8.918718 11.503719 12.094718 12.025672 11.655667 7.642481 7.124536 8.865404 1.228999 2.179447 0.000000 0.1917449 0.1540890 0.0864031 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. NBasis= 416 RedAO= T EigKep= 2.92D-04 NBF= 416 NBsUse= 416 1.00D-06 EigRej= -1.00D+00 NBFU= 416 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 405 405 405 405 405 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -1180.01716269895 -1180.01716269898 -0.000000000025 -1180.01716270 2 1.169056153389e+03 -6.888459714634e+03 2.455436297905e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep R1 ints in memory in canonical form, NReq=3798663820. IVT= 797956 IEndB= 797956 NGot= 5502926848 MDV= 1740518677 LenX= 1740518677 LenY= 1740345180 Requested convergence on RMS density matrix=1.00D-08 within 512 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 86736 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Using compressed storage, NAtomX= 39. Will process 40 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 5.5607, EpsInf= 1.9260) 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. MDV= 5502926038 using IRadAn= 2. Generate precomputed XC quadrature information. Keep R1 ints in memory in canonical form, NReq=3797878210. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 86736 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 120 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 117 vectors produced by pass 0 Test12= 2.91D-14 1.00D-09 XBig12= 1.32D+03 3.08D+01. AX will form 117 AO Fock derivatives at one time. 117 vectors produced by pass 1 Test12= 2.91D-14 1.00D-09 XBig12= 2.27D+02 4.31D+00. 117 vectors produced by pass 2 Test12= 2.91D-14 1.00D-09 XBig12= 2.02D+00 2.95D-01. 117 vectors produced by pass 3 Test12= 2.91D-14 1.00D-09 XBig12= 1.53D-02 1.56D-02. 117 vectors produced by pass 4 Test12= 2.91D-14 1.00D-09 XBig12= 5.44D-05 8.77D-04. 109 vectors produced by pass 5 Test12= 2.91D-14 1.00D-09 XBig12= 6.31D-08 2.26D-05. 32 vectors produced by pass 6 Test12= 2.91D-14 1.00D-09 XBig12= 5.96D-11 6.40D-07. 3 vectors produced by pass 7 Test12= 2.91D-14 1.00D-09 XBig12= 5.43D-14 1.80D-08. InvSVY: IOpt=1 It= 1 EMax= 9.24D-14 Solved reduced A of dimension 729 with 120 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 405.12 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 109.015 -12.026 456.222 -0.692 -0.981 650.135 154.341 -19.403 615.354 -1.673 -1.025 834.474 (Enter /mnt/data/applications/G09/g09/l716.exe) PT7278.300S 2024-05-22T17:53:40.000 -14.61216 -10.32529 -10.30753 -10.30750 -10.28023 -10.27754 -10.27577 -10.27571 -10.27425 -10.27395 -10.27342 -10.27341 -10.26680 -10.26674 -10.26662 -10.26595 -10.26380 -10.26377 -10.24961 -10.24951 -10.22250 -1.26448 -1.26445 -1.09202 -1.09201 -0.97689 -0.93312 -0.92990 -0.90080 -0.85842 -0.84779 -0.83377 -0.81333 -0.80285 -0.80030 -0.75384 -0.74204 -0.70588 -0.69480 -0.67220 -0.65614 -0.65484 -0.62945 -0.62297 -0.60075 -0.58475 -0.58097 -0.57005 -0.56989 -0.56018 -0.55441 -0.54792 -0.53350 -0.52278 -0.52143 -0.51142 -0.50746 -0.49622 -0.49605 -0.48639 -0.48487 -0.47616 -0.46391 -0.46020 -0.44493 -0.43085 -0.42653 -0.42455 -0.41627 -0.41528 -0.40161 -0.39537 -0.37345 -0.35388 -0.34830 -0.34759 -0.34665 -0.34569 -0.33066 -0.33031 -0.32429 -0.31766 -0.30679 -0.29201 -0.20504 -0.12665 -0.11513 -0.09695 -0.06818 -0.06252 -0.04917 -0.01734 0.00048 0.05240 0.05628 0.06417 0.07704 0.08716 0.09432 0.09641 0.10026 0.11928 0.12235 0.12667 0.13330 0.14007 0.14131 0.15214 0.16045 0.16237 0.17101 0.17486 0.18473 0.19172 0.19771 0.20620 0.22196 0.22781 0.23271 0.23565 0.25067 0.25523 0.26542 0.27890 0.29649 0.31403 0.32282 0.32963 0.33602 0.35218 0.35998 0.41860 0.42491 0.43352 0.43833 0.44641 0.45029 0.45133 0.46065 0.46374 0.46505 0.47306 0.47434 0.48286 0.48686 0.49154 0.50681 0.51522 0.51646 0.51842 0.52385 0.53073 0.53905 0.54053 0.54170 0.55047 0.55181 0.55712 0.55863 0.57035 0.57670 0.58091 0.58532 0.58604 0.59769 0.61415 0.63173 0.63537 0.64751 0.65997 0.66395 0.66785 0.66803 0.68586 0.69191 0.70070 0.71584 0.72252 0.72521 0.72684 0.74049 0.74545 0.75702 0.76420 0.76550 0.77124 0.77253 0.77856 0.79498 0.79921 0.81039 0.81559 0.81945 0.83457 0.83569 0.85189 0.86282 0.86461 0.86963 0.87760 0.88265 0.89967 0.90917 0.91615 0.91664 0.92664 0.92939 0.93439 0.93760 0.94259 0.95076 0.95216 0.96337 0.96562 0.97140 0.97562 0.99149 1.01533 1.02473 1.03557 1.05164 1.05694 1.06426 1.09143 1.10480 1.11104 1.11728 1.13295 1.14153 1.15245 1.16514 1.17330 1.17811 1.18052 1.19695 1.23018 1.23487 1.24167 1.24386 1.27055 1.27495 1.28882 1.29906 1.31711 1.32652 1.33469 1.34074 1.34429 1.35352 1.36877 1.37966 1.38117 1.39511 1.40397 1.40929 1.41457 1.41511 1.42559 1.43318 1.44251 1.47353 1.48037 1.48771 1.52394 1.52780 1.54583 1.56005 1.58788 1.63334 1.65741 1.65818 1.66658 1.66686 1.67680 1.68246 1.69899 1.70348 1.71141 1.73354 1.74292 1.74892 1.75697 1.75784 1.76800 1.76969 1.79301 1.80008 1.80986 1.81550 1.82170 1.83297 1.85339 1.85912 1.86364 1.86968 1.87171 1.89200 1.89428 1.90198 1.90329 1.90786 1.93361 1.93521 1.94819 1.95674 1.97627 2.00272 2.00557 2.02709 2.03041 2.04248 2.04565 2.07398 2.08899 2.09038 2.09712 2.10290 2.10980 2.12609 2.13388 2.14711 2.15051 2.16253 2.17217 2.17687 2.19804 2.20223 2.20781 2.22033 2.22104 2.26060 2.27771 2.28177 2.28294 2.29733 2.31866 2.34196 2.34885 2.37560 2.40104 2.40565 2.42192 2.43598 2.44762 2.46149 2.48742 2.52191 2.53175 2.54926 2.56325 2.56495 2.57553 2.58364 2.63164 2.65267 2.66435 2.67231 2.67689 2.67813 2.68622 2.70901 2.72077 2.73634 2.74288 2.76959 2.77113 2.82509 2.84356 2.84949 2.85236 2.86336 2.86529 2.88401 2.89779 2.91483 3.01096 3.01986 3.04548 3.09761 3.12079 3.14301 3.26116 3.30390 3.35963 3.46409 3.69316 3.71717 3.86223 3.89042 3.94705 3.96205 3.99376 4.01941 4.03055 4.03342 4.04397 4.06417 4.07627 4.08863 4.10023 4.13812 4.20051 4.23957 4.27155 4.30010 4.34083 4.40504 4.46265 4.61279 4.74806 4.76283 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 C C C C C C H C H H C C C C H C H C H H C C C C H C C H H C H H H N O O N O O 0.032665 0.094063 0.077694 -0.173731 -0.191325 -0.154538 0.206609 0.299807 0.222746 0.219338 0.102622 -0.141262 -0.139939 -0.170523 0.200369 -0.174322 0.200648 0.198865 0.189334 0.189768 0.094386 -0.173678 0.077148 -0.154382 0.206459 -0.190907 0.299677 0.222595 0.219185 -0.539751 0.210672 0.197855 0.192832 0.398268 -0.383091 -0.390654 0.398260 -0.390690 -0.383074 1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 8 11 12 13 14 16 18 21 22 23 24 26 27 30 34 35 36 37 38 39 C C C C C C C C C C C C C C C C C C C C N O O N O O 0.032665 0.094063 0.077694 0.032878 0.031421 0.064800 0.299807 0.102622 0.059107 0.060710 0.018811 0.015446 0.198865 0.094386 0.032782 0.077148 0.064803 0.031688 0.299677 0.061608 0.398268 -0.383091 -0.390654 0.398260 -0.390690 -0.383074 1.00000 -6.70664183e-03 -8.46865962e-02 6.24827385e+00 1.09015453e+02 -1.20256685e+01 4.56222075e+02 -6.92050316e-01 -9.81047075e-01 6.50134660e+02 -11.8584 -9.1397 -0.0006 0.0006 0.0007 5.7675 28.8058 31.8660 37.4451 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 28.6898 31.8460 37.2738 51.6023 56.0284 83.2024 85.2387 88.6209 119.0376 142.8285 178.0088 210.9012 216.8727 228.0038 247.5864 289.6267 292.0567 312.7132 365.5368 368.4965 399.3968 417.2910 428.0528 457.4336 468.9873 501.4843 516.0372 518.8010 541.1729 579.6097 594.0833 608.5660 632.8388 646.9194 652.1434 691.1029 720.1266 726.3016 738.9822 750.9941 778.5619 792.2270 798.0510 807.9424 846.9151 853.2306 854.6402 875.8350 880.9520 914.0379 936.0310 940.2820 954.7093 960.1959 996.2002 996.9875 1011.3665 1015.8210 1024.4869 1031.2766 1056.8150 1058.8433 1103.7001 1121.6664 1146.3803 1161.3980 1179.4659 1202.7548 1232.6047 1239.5468 1243.1285 1265.1543 1303.4338 1316.5395 1335.4016 1353.9054 1368.9342 1389.7214 1389.8832 1426.3822 1432.4424 1445.9864 1452.8345 1471.0687 1478.3951 1491.4350 1499.0593 1510.3234 1528.4502 1558.7467 1562.9654 1609.9898 1612.9661 1644.7853 1651.8109 1658.0750 1658.4792 1665.5388 3043.9559 3110.9572 3154.2817 3214.8091 3216.1712 3240.4796 3241.0756 3250.2495 3250.5648 3256.4279 3259.5747 3267.0020 3267.8999 8.8283 14.3088 9.2205 4.8821 5.0348 1.3639 2.9167 5.6222 5.5398 4.6214 5.3818 5.5120 8.6841 7.0066 5.6591 9.6559 5.3444 5.6178 6.9254 3.4746 4.5126 3.1826 3.4344 3.3521 5.1635 7.8669 4.0894 4.9517 6.9709 5.4250 5.6188 5.3519 6.8763 5.3980 5.9174 7.4985 6.0140 4.6643 3.4822 4.4008 4.5733 3.9578 9.3221 5.5731 1.6337 5.2466 1.3862 1.4930 1.5404 6.2405 2.4507 2.2428 4.7662 1.6698 1.3727 1.3668 1.3506 1.2799 2.4115 1.5558 2.3049 1.6707 2.5096 4.0751 1.7968 2.2112 1.4510 2.3249 1.5829 2.4649 2.7782 1.9224 1.6293 1.3795 4.2353 1.7773 2.6877 12.8264 13.6486 1.2096 3.6289 5.1817 3.3425 3.1801 1.6159 1.7414 2.5220 1.0934 3.0648 3.5682 3.5433 9.2620 8.7875 5.6166 7.2470 8.6565 9.5937 6.2826 1.0451 1.0897 1.1041 1.0904 1.0906 1.0934 1.0943 1.0910 1.0915 1.0929 1.0924 1.0939 1.0937 0.0043 0.0085 0.0075 0.0077 0.0093 0.0056 0.0125 0.0260 0.0462 0.0555 0.1005 0.1444 0.2407 0.2146 0.2044 0.4772 0.2686 0.3237 0.5452 0.2780 0.4241 0.3265 0.3708 0.4133 0.6691 1.1656 0.6416 0.7852 1.2029 1.0738 1.1684 1.1678 1.6225 1.3310 1.4827 2.1101 1.8375 1.4497 1.1204 1.4623 1.6333 1.4635 3.4980 2.1434 0.6904 2.2504 0.5966 0.6748 0.7044 3.0718 1.2651 1.1683 2.5596 0.9071 0.8026 0.8004 0.8139 0.7782 1.4912 0.9749 1.5167 1.1036 1.8012 3.0207 1.3913 1.7573 1.1893 1.9816 1.4169 2.2314 2.5296 1.8129 1.6309 1.4088 4.4500 1.9195 2.9676 14.5952 15.5344 1.4500 4.3871 6.3834 4.1568 4.0547 2.0809 2.2822 3.3392 1.4695 4.2185 5.1079 5.0998 14.1449 13.4700 8.9525 11.6501 14.0217 15.5474 10.2683 5.7055 6.2135 6.4720 6.6399 6.6466 6.7646 6.7729 6.7907 6.7950 6.8285 6.8382 6.8787 6.8815 0.7969 0.1235 1.5465 0.7134 1.2251 1.3602 1.5981 8.0653 1.7655 3.3113 3.6195 0.9399 5.4612 0.2976 8.2098 0.6465 3.4304 8.1773 30.1279 4.8519 1.5837 24.9414 5.3492 10.3923 0.1470 1.5148 9.7538 5.9725 0.3272 0.2672 27.0365 0.1842 4.4265 10.5321 1.1569 1.9309 1.7699 7.0669 83.2431 1.0248 10.9121 15.0153 41.2283 79.9941 74.1600 169.9110 56.4971 4.5286 19.4391 39.5138 22.0734 20.1580 67.8872 17.8295 1.9151 0.5336 9.1625 6.6363 0.3875 17.3707 7.6780 101.5933 73.1424 53.1451 124.9388 4.8837 43.3648 13.7589 445.7573 266.1559 3.5841 12.9948 80.2700 20.6741 15.9748 36.3182 15.4535 538.4848 963.4524 8.8534 223.2148 631.4502 57.0288 9.5467 12.7051 70.0373 4.7399 38.1461 76.2756 502.4454 22.7388 559.0681 32.9835 1384.5647 62.5006 49.8343 124.8859 157.0167 10.1566 23.9330 15.5530 6.5722 9.8850 1.0138 5.6517 7.3088 0.9141 1.0880 11.9344 7.5987 6.7593 -0.13 0.00 0.00 -0.12 0.00 0.00 -0.06 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 -0.20 0.01 -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 -0.13 0.00 -0.01 -0.08 -0.01 0.00 -0.03 0.00 0.04 -0.04 -0.01 -0.04 0.07 0.00 0.04 -0.06 0.00 0.08 0.06 0.00 -0.04 -0.09 -0.02 -0.08 0.12 0.01 0.00 0.12 0.01 0.08 0.10 0.00 -0.08 -0.12 0.00 0.00 -0.13 0.00 0.00 -0.06 0.00 0.00 -0.09 0.00 0.00 -0.17 0.01 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 0.05 0.00 0.01 -0.11 0.00 0.00 0.25 0.03 0.00 0.28 0.03 -0.08 0.29 0.04 0.07 0.28 0.03 -0.01 0.05 0.00 0.00 0.31 -0.01 0.01 -0.14 0.00 0.00 0.07 0.00 0.00 -0.22 0.01 -0.01 0.44 -0.02 0.00 -0.05 0.00 0.00 -0.03 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.06 0.00 0.00 0.05 0.00 0.00 -0.04 0.00 0.00 -0.05 -0.02 0.01 0.01 0.02 -0.02 -0.01 -0.02 0.01 -0.09 -0.04 0.03 0.05 0.02 -0.02 0.02 0.04 -0.03 0.04 0.01 0.00 -0.02 -0.04 0.03 0.09 0.04 -0.03 -0.07 0.00 0.00 -0.10 0.00 0.00 -0.04 0.00 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.07 -0.01 0.00 -0.09 0.00 0.00 0.09 0.02 0.00 0.09 0.03 -0.03 0.10 0.00 0.03 0.12 0.02 -0.01 0.10 0.00 0.01 0.59 -0.02 0.01 -0.32 0.01 0.00 -0.03 0.00 0.00 0.40 -0.02 0.00 -0.48 0.02 -0.01 0.17 0.01 0.00 0.16 0.01 0.00 0.12 0.00 0.00 0.15 0.01 0.01 0.05 0.00 0.01 0.07 0.01 0.02 0.19 0.01 0.02 0.01 0.00 0.01 0.01 0.00 0.01 0.03 0.01 0.02 0.12 0.01 0.00 0.06 0.00 -0.04 0.09 0.02 0.03 -0.05 -0.03 -0.04 0.09 0.00 -0.07 -0.02 -0.01 0.04 0.14 0.03 0.07 -0.10 -0.03 0.00 -0.10 -0.04 -0.07 -0.05 -0.01 0.07 0.15 0.01 0.00 0.11 0.01 -0.01 0.11 0.00 0.00 0.03 0.01 -0.01 0.14 0.02 -0.01 0.06 0.00 -0.01 0.01 0.00 -0.01 0.03 0.00 -0.01 -0.01 0.01 -0.02 -0.24 -0.07 0.00 -0.28 -0.07 0.09 -0.28 -0.10 -0.08 -0.26 -0.08 0.00 -0.09 0.01 -0.02 0.16 -0.01 -0.01 -0.42 0.02 -0.03 -0.12 0.01 0.02 -0.36 0.02 0.02 0.03 -0.01 0.02 0.00 -0.07 -0.01 0.07 -0.06 -0.02 0.04 -0.04 -0.01 0.13 -0.07 -0.04 0.01 -0.02 -0.03 0.10 -0.05 -0.05 0.19 -0.08 -0.04 0.03 -0.03 -0.05 -0.03 0.00 -0.02 0.12 -0.05 -0.07 -0.04 -0.05 -0.01 -0.14 -0.08 -0.06 0.04 0.04 0.04 -0.12 0.01 -0.06 -0.22 -0.17 -0.10 0.07 0.14 0.04 0.08 0.05 0.08 0.01 0.13 -0.01 -0.19 -0.01 -0.10 0.15 0.23 0.08 -0.02 -0.06 0.01 -0.05 -0.07 0.04 0.00 -0.04 0.01 -0.04 -0.05 0.06 -0.08 -0.09 0.05 0.01 -0.02 0.02 -0.01 -0.02 0.05 0.03 0.01 0.02 -0.05 -0.05 0.08 0.07 0.26 -0.01 -0.01 0.38 -0.10 0.04 0.18 0.00 0.20 0.33 0.06 0.03 0.00 0.08 0.02 0.03 0.07 0.06 -0.01 0.11 -0.05 0.00 -0.06 -0.14 0.00 -0.09 -0.05 0.02 -0.06 0.01 -0.05 0.01 -0.04 -0.05 -0.01 0.00 -0.03 0.00 -0.10 -0.05 -0.04 0.02 -0.01 -0.02 -0.08 -0.03 -0.05 -0.15 -0.07 -0.05 -0.01 -0.01 -0.04 0.06 0.01 -0.01 -0.11 -0.03 -0.07 -0.03 -0.04 0.01 0.09 0.07 -0.02 -0.16 -0.09 0.05 0.11 0.15 -0.02 0.17 0.12 -0.05 -0.15 -0.03 0.05 -0.26 -0.19 0.09 0.00 0.10 0.02 0.22 0.25 -0.05 -0.25 -0.08 0.08 0.09 -0.04 0.02 0.16 -0.05 0.03 0.05 -0.03 0.02 0.12 -0.04 0.03 0.23 -0.06 0.02 0.02 -0.02 0.02 0.03 -0.02 0.03 -0.03 -0.01 0.02 0.14 -0.04 0.04 0.04 0.18 0.02 0.13 0.12 -0.05 0.08 0.32 0.02 -0.07 0.18 0.07 -0.07 -0.01 0.04 -0.05 0.00 0.04 -0.18 -0.01 0.05 0.04 0.01 -0.07 0.10 0.00 -0.09 0.03 0.04 -0.06 0.00 0.00 0.00 0.02 0.00 0.00 0.06 0.00 0.00 0.00 0.01 0.00 0.07 0.00 0.00 0.00 0.00 0.00 -0.03 0.01 0.00 0.03 0.00 0.00 0.09 0.00 0.00 -0.04 0.01 0.00 -0.02 0.00 0.00 -0.03 -0.01 0.00 -0.02 0.00 0.00 -0.03 -0.01 0.01 -0.04 -0.02 0.01 -0.02 -0.01 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 -0.03 -0.02 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.04 0.01 0.00 0.06 0.00 0.00 -0.04 0.01 0.00 -0.09 0.01 0.00 0.06 0.00 0.00 0.01 0.00 0.00 0.10 0.00 0.00 -0.08 0.01 -0.01 0.06 -0.01 0.00 0.48 -0.42 -0.06 0.25 0.50 0.07 -0.42 -0.15 -0.02 -0.01 0.00 -0.01 -0.03 -0.01 -0.01 0.00 0.00 -0.01 -0.01 0.00 0.00 -0.02 0.01 0.00 -0.04 0.00 0.00 -0.01 0.01 -0.02 0.00 0.01 -0.01 0.12 0.00 -0.02 -0.12 0.02 0.00 0.14 -0.02 -0.01 -0.12 0.01 0.02 -0.22 0.05 0.01 0.01 -0.01 0.01 0.23 -0.03 -0.01 -0.22 0.02 0.03 -0.05 -0.01 -0.02 -0.06 -0.03 0.00 -0.03 -0.01 -0.04 -0.02 -0.04 0.00 -0.08 -0.04 0.01 0.01 -0.01 -0.04 -0.04 0.00 -0.06 0.02 -0.02 -0.02 -0.03 -0.05 0.01 0.05 0.00 -0.06 0.04 0.00 -0.02 -0.03 0.01 0.00 0.14 0.00 -0.02 -0.03 0.01 0.00 -0.11 0.00 0.00 0.16 0.02 -0.01 0.05 0.02 0.00 0.21 0.03 -0.01 -0.11 0.02 0.01 0.06 0.01 -0.02 -0.27 0.35 -0.04 -0.07 -0.40 -0.02 0.47 0.13 -0.01 -0.02 0.03 0.01 -0.08 0.05 0.01 -0.05 0.03 0.03 -0.01 -0.03 0.03 0.00 -0.03 0.06 -0.06 -0.06 0.02 0.01 0.00 -0.06 -0.04 0.01 -0.06 -0.08 -0.01 -0.07 -0.03 0.02 0.00 -0.09 -0.05 -0.03 -0.04 -0.01 0.03 -0.01 0.06 0.01 -0.05 -0.05 0.02 -0.10 -0.10 -0.05 -0.01 -0.01 0.06 0.03 0.00 -0.06 -0.02 -0.02 -0.08 0.07 0.04 -0.06 -0.05 -0.02 -0.08 -0.04 -0.05 -0.10 0.04 0.05 -0.06 0.10 0.06 -0.05 -0.02 0.01 -0.07 -0.11 -0.05 -0.10 0.07 0.07 -0.04 0.03 -0.01 -0.05 0.12 -0.03 0.00 -0.05 0.01 -0.06 0.12 0.00 0.04 0.19 -0.09 0.02 -0.07 0.06 -0.03 0.02 0.05 0.03 -0.14 0.11 -0.04 0.18 -0.01 0.08 -0.02 0.00 -0.07 0.26 -0.28 -0.08 0.10 0.35 -0.05 -0.36 -0.10 -0.08 0.00 0.12 0.09 0.01 0.19 0.07 -0.04 0.10 0.17 0.02 -0.12 0.08 0.05 -0.11 0.15 0.06 -0.20 0.05 -0.01 0.00 -0.02 0.06 0.00 -0.03 0.05 -0.01 -0.03 0.13 0.00 -0.02 0.07 -0.03 -0.02 0.16 -0.02 0.00 0.12 -0.01 -0.02 0.10 -0.03 -0.01 0.04 -0.04 -0.03 0.19 -0.01 0.01 -0.01 0.00 -0.02 0.14 0.10 0.00 -0.14 -0.09 -0.01 0.19 0.13 0.00 0.21 0.16 0.02 -0.17 -0.12 -0.01 -0.21 -0.15 0.00 0.01 0.00 0.00 0.34 0.24 0.00 -0.30 -0.22 -0.02 -0.07 0.00 -0.03 -0.15 0.00 -0.02 -0.03 0.00 -0.03 -0.18 0.01 0.00 -0.16 0.00 -0.02 -0.04 0.03 -0.02 -0.09 0.03 -0.01 0.01 0.04 -0.03 -0.22 0.01 0.02 -0.01 0.00 -0.01 -0.10 0.08 0.02 -0.05 -0.09 -0.03 0.07 0.02 0.00 0.02 0.07 0.03 0.06 0.11 0.02 0.09 0.05 0.09 -0.02 -0.07 0.02 -0.09 -0.05 0.07 -0.07 -0.12 0.01 -0.04 0.03 0.00 0.01 0.04 0.00 -0.04 0.03 0.00 0.13 0.03 0.01 -0.04 0.03 0.00 0.19 0.03 0.02 0.16 0.02 0.00 0.07 0.03 0.01 -0.11 0.02 0.00 0.28 0.02 0.02 -0.13 -0.02 0.00 -0.13 -0.05 0.03 -0.16 -0.07 -0.03 -0.11 -0.09 0.03 -0.11 -0.02 0.05 -0.13 -0.11 -0.04 -0.14 -0.04 -0.05 -0.04 -0.07 0.00 -0.07 -0.09 0.07 -0.11 -0.12 -0.07 0.01 0.04 0.00 0.13 0.03 0.00 -0.04 0.03 0.00 0.18 0.03 -0.01 0.16 0.02 0.00 -0.04 0.03 0.00 0.06 0.03 -0.01 -0.11 0.02 0.00 0.27 0.02 -0.02 0.20 0.02 -0.01 0.15 0.17 -0.19 0.23 -0.09 0.14 0.42 0.10 0.02 0.00 0.01 -0.04 -0.02 -0.02 -0.03 -0.05 0.02 -0.07 0.00 0.00 0.04 -0.05 0.01 0.07 -0.02 -0.03 0.03 0.19 -0.01 0.00 0.12 0.02 -0.02 0.04 0.03 -0.01 -0.02 0.04 -0.01 -0.08 0.04 -0.01 -0.15 0.04 0.00 -0.01 0.05 0.00 -0.12 0.04 0.00 -0.11 0.03 -0.01 -0.23 0.05 0.00 0.14 -0.09 0.00 0.04 -0.12 -0.05 0.02 -0.13 0.06 -0.08 -0.12 -0.06 0.07 -0.13 -0.10 -0.10 -0.14 0.06 0.05 -0.15 0.10 -0.06 -0.06 0.00 -0.13 -0.12 -0.11 -0.15 -0.14 0.11 0.11 0.02 0.02 -0.02 0.04 0.01 0.03 0.03 0.01 -0.17 0.04 0.00 0.00 0.05 0.00 -0.11 0.04 0.01 -0.14 0.04 0.00 -0.14 0.03 0.01 -0.23 0.05 0.00 0.07 0.17 0.00 0.08 0.27 -0.21 0.10 0.22 0.04 0.14 0.26 0.15 -0.01 0.01 -0.03 0.07 -0.02 -0.02 0.08 0.02 -0.06 -0.01 0.01 0.03 0.07 0.02 0.06 0.06 -0.02 0.02 -0.02 0.00 -0.01 -0.04 0.01 -0.02 0.08 0.02 -0.01 -0.12 0.02 -0.01 0.31 0.02 -0.02 -0.03 0.03 -0.02 -0.26 0.04 -0.02 0.20 0.02 -0.01 0.44 0.01 -0.03 -0.17 0.04 -0.03 -0.01 -0.01 -0.02 0.00 0.00 -0.05 0.02 0.00 -0.04 0.00 0.00 -0.05 0.00 -0.01 -0.06 0.05 0.03 -0.04 0.00 -0.01 -0.05 0.01 0.01 -0.06 -0.01 -0.01 -0.05 0.06 0.05 -0.03 0.00 0.01 0.03 0.11 0.00 0.06 -0.09 0.02 0.03 0.06 0.02 0.07 0.25 -0.04 0.06 -0.29 0.04 0.05 -0.17 0.02 0.07 -0.40 0.07 0.04 0.20 0.01 0.08 -0.03 0.00 -0.06 -0.02 -0.03 -0.02 -0.04 0.01 -0.08 -0.06 -0.02 -0.06 -0.03 -0.05 0.03 0.06 -0.14 0.06 0.05 -0.03 -0.05 0.03 0.01 0.01 -0.06 0.02 0.05 -0.08 -0.02 -0.01 -0.04 -0.02 0.01 -0.03 0.04 -0.08 -0.04 0.08 -0.07 0.04 0.03 -0.14 -0.09 0.12 -0.14 0.03 0.09 -0.18 0.10 -0.03 -0.16 -0.05 0.09 -0.18 -0.11 0.16 -0.13 0.09 0.08 -0.21 -0.02 -0.05 0.02 0.01 -0.03 0.03 0.01 -0.02 0.05 0.07 0.03 0.03 -0.02 -0.05 0.03 0.06 0.04 0.06 0.00 -0.04 0.07 0.05 0.04 0.06 0.08 0.06 0.01 0.07 0.05 0.07 -0.04 0.03 0.07 -0.06 0.04 0.10 0.03 0.07 0.06 0.00 0.08 0.13 -0.13 0.02 0.12 0.15 0.10 0.11 0.11 0.08 0.13 0.21 0.11 0.11 -0.05 0.08 0.15 -0.08 0.00 0.06 -0.07 -0.05 0.16 -0.10 0.04 -0.02 -0.17 -0.03 0.06 0.02 -0.04 0.02 -0.05 -0.23 0.08 -0.04 0.01 -0.17 -0.01 -0.08 -0.07 0.01 -0.03 0.17 0.01 -0.31 -0.15 0.00 0.00 0.04 -0.01 0.00 -0.01 0.03 -0.01 -0.03 -0.05 -0.01 -0.06 0.12 -0.02 -0.05 -0.05 -0.01 -0.08 -0.08 -0.03 -0.07 0.05 -0.04 -0.09 0.18 -0.01 -0.05 -0.12 -0.01 -0.07 0.00 0.01 0.10 -0.02 -0.03 0.17 0.01 0.04 0.17 -0.06 -0.07 0.19 -0.01 0.00 0.20 0.04 0.06 0.18 0.00 0.01 0.19 -0.01 -0.01 0.23 -0.12 -0.09 0.16 0.09 0.07 0.15 0.02 -0.01 -0.03 0.06 0.01 -0.09 -0.03 0.00 -0.05 0.06 0.00 -0.11 0.08 0.03 -0.09 -0.13 0.00 -0.08 -0.06 0.02 -0.12 -0.20 -0.02 -0.07 0.12 -0.01 -0.10 0.02 -0.01 0.24 0.02 -0.01 0.23 0.02 -0.01 0.26 0.03 -0.01 0.23 -0.01 0.09 -0.09 0.03 0.19 -0.12 0.02 0.07 -0.01 0.01 -0.08 -0.09 -0.02 -0.07 -0.05 -0.02 -0.13 -0.11 0.11 0.06 0.00 0.18 0.00 0.02 0.10 -0.02 0.01 0.09 -0.01 -0.02 -0.09 -0.01 -0.01 -0.09 0.00 -0.03 0.14 -0.04 -0.03 -0.14 -0.02 -0.04 -0.16 0.02 0.00 -0.14 0.00 -0.02 -0.13 0.14 0.00 -0.12 0.13 0.05 -0.12 0.13 -0.06 -0.04 0.10 0.07 -0.14 0.14 0.09 -0.04 0.10 -0.07 -0.15 0.15 -0.10 0.00 0.05 0.00 -0.01 0.08 0.12 -0.02 0.08 -0.13 0.18 0.00 -0.01 0.09 -0.01 0.02 0.10 -0.02 0.00 -0.08 0.00 0.03 0.13 -0.04 0.03 -0.10 -0.01 0.01 -0.14 -0.02 0.04 -0.18 0.02 0.00 -0.12 0.00 0.02 0.10 -0.17 -0.01 0.07 -0.18 0.07 0.10 -0.32 0.12 0.20 -0.23 -0.21 -0.03 -0.04 0.05 0.04 -0.07 0.06 0.05 -0.04 0.04 -0.03 -0.04 -0.04 0.05 -0.04 -0.04 0.05 -0.06 -0.05 0.00 0.01 0.00 0.05 0.03 0.00 0.03 0.04 0.00 0.02 0.05 -0.05 0.04 0.19 -0.09 -0.05 0.17 -0.12 0.02 -0.02 -0.07 0.00 0.22 -0.10 0.02 0.25 -0.07 -0.09 0.17 -0.21 0.03 0.03 0.00 0.01 0.02 0.01 0.02 0.02 0.00 -0.02 -0.01 0.01 0.03 0.03 0.01 -0.01 -0.01 0.00 0.02 0.02 0.00 -0.02 -0.01 0.01 -0.03 -0.02 0.01 -0.02 -0.01 0.00 -0.07 -0.02 -0.01 -0.03 -0.04 -0.05 -0.04 -0.04 0.00 0.05 -0.17 -0.13 -0.03 0.02 -0.08 -0.02 -0.19 -0.10 0.02 -0.22 -0.11 0.00 -0.26 -0.08 0.10 -0.16 -0.21 0.01 0.00 0.01 0.02 0.02 -0.03 0.02 0.00 0.03 0.04 0.01 0.01 0.00 -0.16 0.04 -0.01 0.06 -0.03 -0.02 -0.24 0.30 0.00 0.15 0.04 0.01 0.21 0.29 0.00 -0.06 -0.05 0.03 0.09 0.00 -0.08 0.03 0.02 -0.06 -0.01 0.01 -0.04 0.02 0.00 0.05 -0.03 0.00 0.01 0.00 -0.01 -0.03 0.00 -0.01 0.05 -0.05 -0.03 0.11 -0.01 0.00 0.01 0.00 0.01 0.22 0.21 0.01 0.13 0.15 0.02 0.11 0.14 -0.01 -0.15 -0.06 0.02 0.19 0.21 0.04 -0.14 -0.06 -0.02 0.16 0.19 -0.03 -0.17 -0.09 0.00 -0.23 -0.13 0.02 -0.22 -0.12 -0.02 -0.07 0.03 -0.02 -0.04 0.02 0.01 -0.06 -0.01 -0.01 0.00 0.02 0.03 -0.03 0.01 0.01 0.06 -0.01 0.01 0.05 -0.02 0.05 0.12 0.02 0.01 -0.01 0.02 0.01 0.11 0.04 -0.01 0.14 0.14 -0.30 0.20 0.02 0.19 0.30 0.11 0.04 0.01 -0.05 0.06 -0.02 -0.07 0.07 -0.02 -0.05 0.05 0.02 -0.07 -0.07 -0.02 -0.07 -0.09 -0.02 -0.06 -0.07 0.00 0.00 0.00 0.27 0.00 0.00 0.13 -0.01 0.00 0.17 0.00 0.01 0.09 -0.03 0.01 -0.22 0.00 0.02 0.23 0.01 0.02 -0.12 -0.02 0.01 0.09 -0.04 0.01 -0.45 0.01 0.04 0.00 0.00 -0.01 -0.02 -0.02 0.00 0.03 0.02 0.00 0.05 0.04 0.00 -0.06 -0.04 0.01 -0.05 -0.04 0.00 0.06 0.04 0.00 0.00 0.00 -0.01 0.11 0.08 0.00 -0.11 -0.08 0.00 -0.27 0.00 -0.01 -0.17 0.00 0.00 -0.14 0.01 0.00 0.22 0.00 0.02 -0.23 -0.02 0.01 -0.09 0.03 0.01 0.12 0.02 0.02 -0.09 0.04 0.01 0.45 -0.01 0.04 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 -0.01 0.00 0.01 0.00 0.04 0.02 0.00 -0.04 -0.01 0.01 -0.05 0.03 -0.04 -0.04 -0.02 0.00 0.05 -0.03 -0.04 0.03 0.01 0.01 -0.01 0.01 0.14 0.01 -0.07 0.19 0.01 -0.02 0.23 0.01 -0.13 0.04 0.01 0.05 0.14 -0.02 -0.04 -0.05 0.03 -0.27 0.00 -0.01 0.01 -0.04 0.02 0.17 0.17 -0.03 -0.05 -0.11 -0.02 0.01 0.07 0.01 0.07 -0.02 -0.01 -0.06 -0.05 -0.04 0.00 -0.06 0.08 0.09 -0.07 0.08 -0.03 -0.08 -0.08 -0.05 -0.14 0.01 -0.03 -0.15 -0.05 -0.06 0.02 0.12 0.03 -0.04 -0.01 0.07 0.19 0.00 0.13 0.05 0.00 0.01 0.22 0.01 0.04 -0.05 -0.01 0.27 0.00 -0.02 -0.06 0.13 -0.01 -0.02 -0.05 -0.02 -0.18 0.16 0.03 0.06 -0.11 -0.03 0.03 -0.19 -0.02 0.04 -0.21 -0.03 0.08 -0.23 -0.06 0.05 -0.12 0.00 0.03 -0.09 0.01 0.16 -0.13 0.00 0.01 0.00 -0.01 -0.04 -0.09 0.00 -0.02 -0.01 0.00 -0.16 -0.14 -0.02 0.09 -0.01 0.03 0.07 -0.01 0.04 0.02 -0.02 0.00 0.09 0.01 -0.03 -0.02 0.00 0.02 0.04 0.03 -0.05 0.11 0.01 -0.01 -0.03 0.01 -0.08 -0.03 0.00 0.04 0.04 0.09 -0.08 0.04 0.00 -0.04 0.00 0.08 -0.04 0.01 -0.07 0.09 -0.10 0.06 -0.07 0.04 0.17 0.08 -0.09 -0.05 -0.05 0.07 -0.15 0.10 -0.12 0.01 0.13 -0.13 0.15 0.13 -0.13 -0.15 0.03 0.06 -0.02 0.00 0.07 -0.01 0.04 0.02 -0.02 0.02 0.03 -0.02 -0.04 0.06 -0.01 -0.03 -0.01 -0.03 -0.02 -0.03 0.00 -0.07 0.00 -0.03 0.03 0.04 -0.07 -0.13 0.16 0.02 -0.13 0.18 -0.02 -0.18 0.38 -0.27 -0.31 0.24 0.33 -0.01 -0.06 0.04 0.00 -0.04 0.03 0.00 -0.07 0.09 -0.01 -0.05 -0.03 0.00 -0.07 -0.09 0.00 -0.02 -0.01 0.06 0.06 0.01 0.02 0.10 -0.02 0.00 0.06 -0.02 -0.09 0.13 0.01 -0.05 0.00 0.01 0.04 0.06 0.05 -0.22 0.19 0.02 0.07 -0.03 0.02 -0.14 -0.03 0.00 0.05 0.07 0.13 0.05 -0.11 0.00 -0.03 -0.12 -0.07 0.00 -0.10 0.06 -0.01 0.08 -0.06 -0.08 -0.22 -0.17 -0.04 0.06 0.06 0.00 -0.17 0.15 0.01 0.14 0.00 -0.04 0.12 -0.15 -0.10 0.08 0.15 0.02 0.10 0.05 -0.08 0.14 0.00 0.00 0.06 0.04 0.04 0.06 -0.05 -0.20 0.21 -0.01 -0.05 -0.01 0.01 0.07 -0.03 -0.02 -0.13 -0.05 0.01 0.05 0.08 -0.13 0.05 -0.10 0.00 0.03 -0.16 0.16 0.04 -0.26 0.09 0.10 -0.19 -0.25 0.02 -0.08 0.01 -0.01 -0.01 -0.01 -0.02 -0.11 0.12 0.03 -0.08 -0.03 -0.02 -0.10 -0.13 -0.02 -0.03 -0.01 0.00 0.00 -0.01 0.04 0.01 -0.02 0.03 0.00 -0.02 0.03 0.01 -0.02 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.02 0.01 -0.03 -0.01 -0.01 0.01 -0.04 -0.03 -0.01 -0.02 0.00 0.01 0.00 -0.01 -0.01 0.19 0.12 0.00 -0.19 -0.13 0.01 -0.15 -0.11 -0.01 0.40 0.28 0.01 0.16 0.12 0.00 -0.40 -0.31 0.03 0.00 0.01 0.00 -0.32 -0.22 -0.03 0.31 0.23 0.00 -0.04 0.01 -0.02 -0.04 0.01 -0.02 -0.02 0.01 -0.02 0.01 0.01 0.00 -0.03 0.02 -0.03 -0.01 0.01 -0.01 0.02 0.01 0.00 0.00 0.02 -0.01 0.04 0.01 0.00 0.00 -0.01 0.00 0.01 -0.02 0.01 0.00 -0.01 0.01 0.00 -0.01 -0.02 0.01 -0.01 0.02 -0.01 -0.03 0.03 -0.01 0.00 0.01 -0.01 0.00 0.02 0.00 -0.01 0.00 0.00 0.02 0.03 -0.05 0.02 0.00 -0.06 0.05 -0.02 -0.11 0.03 -0.01 0.19 0.04 0.00 0.14 -0.01 0.00 -0.10 0.03 0.02 0.45 0.03 0.02 -0.08 0.00 0.01 0.37 -0.03 -0.01 -0.17 0.04 0.06 -0.03 -0.05 0.00 0.00 -0.04 -0.01 -0.01 -0.04 0.01 0.00 0.00 -0.01 0.05 -0.01 -0.04 0.01 0.01 0.01 0.03 -0.03 0.04 0.00 0.01 0.00 0.03 0.03 -0.03 0.04 0.04 0.03 -0.06 0.05 0.02 0.19 0.04 0.00 -0.12 0.03 0.01 -0.10 0.03 -0.02 0.45 0.03 -0.01 0.14 -0.01 0.00 -0.07 0.00 -0.01 0.38 -0.03 0.02 -0.17 0.04 -0.06 0.01 -0.01 0.00 0.00 -0.02 0.02 0.01 -0.03 0.02 0.01 -0.02 -0.03 -0.03 -0.03 0.00 0.01 0.00 -0.01 0.02 -0.05 0.05 -0.03 -0.03 0.00 0.02 -0.05 -0.05 0.01 0.00 0.02 0.01 0.00 -0.02 -0.19 -0.02 -0.01 -0.11 0.00 -0.01 0.13 -0.05 -0.01 0.13 -0.01 -0.01 -0.03 -0.04 -0.02 0.43 -0.10 0.00 -0.11 0.00 0.00 0.44 -0.04 -0.02 0.04 -0.04 -0.03 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.01 0.00 -0.03 -0.02 0.01 -0.01 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.19 0.02 -0.01 -0.13 0.05 -0.01 0.11 0.00 0.00 0.02 0.04 -0.01 -0.43 0.09 -0.01 -0.13 0.02 0.00 0.12 0.00 0.00 -0.44 0.05 -0.02 -0.05 0.05 -0.03 0.00 0.00 0.01 0.00 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 0.01 0.05 -0.02 0.01 -0.02 -0.01 0.01 -0.02 -0.02 0.03 -0.04 0.01 0.01 0.02 0.01 0.02 0.02 0.02 0.02 0.21 0.04 0.00 0.09 -0.02 0.04 -0.20 -0.02 0.04 0.00 -0.03 0.02 0.01 -0.02 0.03 -0.11 -0.01 0.00 0.00 -0.07 0.00 0.19 -0.01 0.00 -0.01 0.00 0.04 -0.32 0.00 -0.01 0.07 0.10 0.00 -0.11 -0.01 0.01 -0.12 -0.02 -0.02 -0.01 -0.04 0.01 -0.27 -0.12 0.03 0.00 -0.03 -0.02 -0.29 -0.12 -0.05 0.18 0.07 0.00 -0.15 -0.17 0.05 -0.13 -0.15 -0.07 0.08 -0.01 -0.04 0.01 -0.02 -0.02 -0.21 -0.02 -0.04 -0.11 0.00 0.00 0.02 -0.06 0.00 0.02 -0.01 -0.03 0.18 -0.01 0.01 0.02 0.01 -0.03 -0.30 0.01 0.01 -0.02 0.01 0.01 -0.08 -0.04 0.24 -0.11 0.00 -0.18 -0.15 -0.03 -0.01 0.09 0.02 0.02 -0.04 -0.01 0.03 -0.04 0.04 -0.03 0.10 0.02 -0.02 -0.04 0.04 0.03 -0.04 -0.01 -0.04 -0.06 0.07 -0.01 -0.08 0.02 0.13 0.07 -0.04 0.12 0.01 -0.01 0.15 0.03 -0.05 0.15 0.06 -0.02 0.13 0.04 -0.03 0.14 -0.12 -0.01 0.06 0.11 -0.03 0.15 0.18 -0.02 0.17 0.09 -0.01 -0.01 -0.01 -0.09 -0.04 -0.02 -0.08 0.02 -0.02 -0.02 -0.04 -0.08 -0.17 -0.08 -0.02 -0.01 0.02 -0.08 -0.17 0.07 0.09 0.09 0.01 -0.13 -0.07 -0.08 -0.13 -0.06 0.06 -0.08 0.04 -0.13 0.00 0.03 -0.15 0.08 -0.03 -0.11 0.08 0.02 -0.13 0.01 0.01 -0.14 0.02 -0.04 -0.14 -0.12 0.00 -0.06 0.11 -0.02 -0.14 0.21 0.02 -0.18 0.01 -0.01 0.01 -0.03 -0.06 0.20 -0.04 -0.08 -0.05 -0.05 -0.07 -0.08 -0.06 0.08 0.13 0.02 -0.14 0.23 0.03 0.13 -0.02 -0.06 0.09 -0.13 0.03 0.14 0.03 0.02 -0.13 -0.23 0.00 0.01 -0.04 -0.03 -0.07 -0.03 0.06 -0.02 -0.01 -0.03 -0.12 -0.09 0.00 -0.02 -0.01 0.04 -0.12 -0.09 -0.04 -0.15 -0.10 -0.06 -0.03 -0.03 0.02 -0.02 -0.01 0.13 -0.13 -0.13 0.15 0.12 -0.04 -0.04 -0.02 -0.02 -0.04 0.02 -0.02 -0.03 -0.06 -0.01 -0.24 -0.16 0.00 -0.06 -0.03 -0.01 -0.22 -0.12 -0.02 0.17 0.10 0.03 -0.26 -0.22 -0.03 -0.28 -0.22 -0.06 -0.09 0.05 0.00 0.02 0.09 0.00 0.03 0.01 0.02 0.06 0.12 0.02 0.07 0.06 0.01 0.05 0.05 0.06 -0.11 0.05 0.03 0.16 0.08 0.06 0.20 0.11 0.01 0.00 0.00 0.07 -0.07 -0.05 0.32 -0.09 -0.05 -0.09 -0.11 -0.06 0.00 -0.06 -0.05 -0.04 0.02 0.02 -0.07 0.02 -0.09 0.06 -0.03 0.00 0.05 0.01 0.00 0.05 0.01 0.06 0.07 0.00 0.01 0.06 -0.09 0.09 0.03 0.01 0.02 -0.01 0.02 0.15 0.05 0.06 0.07 -0.05 0.07 0.19 0.02 0.08 0.12 0.04 -0.11 0.07 -0.02 0.18 0.11 -0.04 0.20 0.18 0.05 0.13 0.10 0.05 -0.03 0.02 0.01 -0.05 -0.04 0.01 -0.05 -0.02 0.00 -0.19 -0.11 0.00 -0.02 -0.05 0.00 -0.21 -0.15 -0.01 0.14 0.09 -0.05 -0.25 -0.20 0.04 -0.20 -0.17 0.02 -0.01 -0.10 0.03 -0.03 -0.18 0.10 0.05 -0.03 0.01 0.02 -0.19 0.08 -0.05 -0.20 0.11 -0.01 -0.05 -0.01 -0.03 -0.06 0.02 -0.02 -0.07 -0.01 0.07 -0.21 0.14 0.00 0.00 -0.07 -0.06 -0.05 0.15 -0.07 -0.04 -0.20 -0.09 -0.05 -0.12 -0.02 0.03 -0.04 0.01 0.06 -0.05 0.01 0.04 -0.09 -0.06 -0.06 0.01 0.02 -0.09 -0.09 0.02 -0.01 0.04 -0.01 0.00 -0.07 0.00 0.04 -0.04 0.01 0.00 -0.04 0.01 0.09 0.11 0.00 -0.11 0.07 0.01 -0.03 0.20 -0.01 0.23 0.16 -0.03 -0.06 0.11 0.04 -0.24 0.02 0.03 -0.01 0.33 -0.01 0.00 -0.07 0.05 -0.01 -0.03 -0.04 0.01 -0.03 0.01 -0.04 -0.02 0.05 0.02 0.01 -0.01 0.04 -0.02 -0.01 0.01 0.01 -0.01 -0.01 0.04 -0.02 -0.02 -0.07 0.04 0.04 -0.07 0.00 -0.04 -0.04 -0.01 -0.09 0.11 0.00 0.00 -0.04 -0.02 0.02 0.20 0.02 -0.23 0.15 -0.01 0.11 0.07 0.03 0.06 0.12 -0.05 0.24 0.03 -0.04 0.00 0.33 0.00 0.00 0.08 0.01 0.00 0.07 0.00 0.00 0.08 0.00 0.00 0.08 0.02 -0.10 -0.13 0.00 0.11 -0.22 -0.01 -0.17 0.03 -0.01 0.11 -0.12 0.01 0.17 0.04 0.00 -0.10 -0.23 0.00 0.00 0.00 0.03 -0.01 0.01 0.19 -0.01 0.01 -0.14 -0.02 -0.01 0.11 0.00 0.00 0.18 -0.03 -0.02 -0.30 -0.01 -0.02 -0.22 0.01 -0.01 0.09 0.02 0.01 0.45 -0.05 -0.03 0.00 0.00 0.00 -0.01 -0.01 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.01 0.01 -0.01 0.00 0.00 0.01 0.02 0.01 0.00 -0.01 -0.01 0.00 -0.03 0.01 0.00 0.14 0.01 -0.02 -0.19 0.00 0.00 -0.19 0.03 -0.02 0.30 0.00 -0.02 -0.11 0.00 0.00 0.23 -0.01 0.00 -0.09 -0.01 0.00 -0.45 0.05 -0.03 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.17 0.00 0.01 -0.06 -0.01 0.01 -0.06 0.01 0.00 -0.17 0.00 0.00 0.06 -0.01 0.00 0.06 0.00 0.01 -0.01 0.00 -0.12 0.01 -0.04 0.04 0.00 0.00 0.08 0.01 -0.04 0.10 0.00 0.10 0.02 -0.01 0.07 0.01 0.01 -0.08 0.08 0.02 0.08 0.00 -0.03 0.17 0.04 -0.04 0.06 -0.09 -0.02 -0.01 -0.21 0.09 -0.07 -0.15 -0.06 0.09 -0.15 0.06 -0.11 -0.12 0.06 -0.03 -0.06 -0.07 0.10 -0.12 0.03 0.11 -0.07 -0.02 -0.01 0.14 0.00 -0.03 -0.30 0.02 0.05 -0.29 0.01 0.04 0.05 0.00 0.04 0.10 0.00 0.00 0.09 0.00 -0.08 0.00 0.00 0.10 0.08 -0.01 -0.10 0.01 0.00 -0.08 0.00 -0.01 -0.19 0.04 -0.01 -0.06 -0.10 0.01 0.01 0.30 0.01 0.00 0.31 0.00 0.00 0.30 0.00 0.00 0.29 0.01 0.04 0.01 0.00 0.03 0.02 0.00 0.06 -0.06 0.01 -0.03 0.01 0.00 -0.05 -0.06 0.00 -0.03 0.02 0.00 0.01 0.00 0.00 -0.07 0.19 0.00 -0.07 0.13 -0.01 -0.09 0.18 0.00 0.14 -0.01 0.00 0.17 -0.04 0.00 -0.28 0.11 0.02 0.14 -0.05 -0.01 0.36 0.06 0.01 0.14 -0.24 -0.02 -0.03 0.00 0.00 -0.04 -0.01 0.00 -0.04 0.01 0.02 0.01 -0.01 0.04 -0.01 -0.03 0.02 0.01 0.01 0.04 -0.02 0.03 -0.03 -0.01 0.00 0.08 0.07 -0.03 0.08 0.06 0.03 0.00 -0.06 -0.19 -0.01 -0.08 -0.17 0.00 -0.07 -0.13 0.00 0.16 0.05 0.00 -0.28 -0.11 0.00 0.14 0.02 0.01 0.13 0.06 0.00 0.36 -0.04 0.01 0.12 0.24 0.00 0.00 0.00 0.01 0.00 -0.03 0.01 0.00 0.04 0.02 0.00 0.00 0.00 -0.05 -0.03 0.00 -0.02 -0.06 -0.01 -0.09 0.06 0.01 -0.05 0.03 -0.01 -0.09 -0.07 0.00 -0.02 0.05 -0.06 0.07 0.00 0.00 0.02 0.03 0.02 -0.01 0.04 0.03 -0.01 -0.04 -0.02 -0.01 0.04 -0.03 -0.02 -0.04 0.02 -0.06 -0.06 0.02 -0.02 -0.02 -0.07 0.03 0.06 -0.08 -0.01 -0.02 0.11 -0.08 0.00 0.11 -0.20 0.26 0.11 -0.19 -0.27 -0.11 0.14 0.27 0.14 -0.26 0.14 -0.11 0.15 -0.27 0.15 -0.25 -0.15 -0.06 0.11 0.00 -0.14 0.21 0.16 -0.15 0.21 -0.15 0.01 0.02 -0.03 0.03 -0.01 0.04 0.03 0.00 -0.03 -0.03 -0.02 0.04 0.01 -0.06 0.06 -0.02 -0.01 -0.05 0.02 -0.02 0.02 -0.07 0.03 -0.06 -0.08 -0.01 0.02 -0.04 0.05 0.00 -0.05 0.06 0.01 -0.05 0.08 -0.04 -0.07 0.06 0.04 0.02 0.00 0.00 0.00 0.02 -0.01 -0.01 0.00 -0.02 0.02 -0.01 0.00 -0.01 0.00 0.02 0.00 0.02 0.01 0.28 0.06 0.00 0.02 -0.01 -0.01 -0.12 -0.15 -0.05 -0.11 0.05 0.05 0.09 -0.09 -0.14 0.11 0.08 0.01 -0.08 0.02 0.04 -0.10 -0.03 -0.05 0.28 -0.08 -0.14 0.31 0.07 0.04 -0.01 -0.01 -0.01 -0.05 -0.05 0.04 -0.06 -0.04 -0.05 0.04 0.06 0.05 0.00 -0.01 0.04 0.04 0.07 -0.05 0.00 0.00 -0.04 -0.09 -0.05 0.01 0.19 0.17 0.05 0.19 0.17 -0.07 0.02 0.00 0.01 -0.11 0.05 -0.04 -0.12 -0.15 0.05 0.11 0.08 0.00 -0.08 0.02 -0.03 0.10 -0.10 0.14 -0.10 -0.04 0.05 0.27 -0.10 0.14 0.30 0.07 -0.05 -0.02 0.00 0.01 0.02 0.04 -0.14 0.03 0.05 0.07 0.03 0.04 0.08 -0.08 0.02 0.01 0.02 0.04 0.01 0.03 0.03 -0.04 -0.07 0.02 -0.01 0.02 0.03 0.04 0.02 0.04 -0.01 0.20 0.02 0.00 0.01 0.02 0.04 -0.07 0.18 0.12 -0.09 -0.06 -0.13 0.07 0.09 0.22 0.06 -0.14 -0.07 -0.05 -0.07 -0.13 -0.06 0.02 0.03 0.19 0.12 0.23 0.19 -0.15 -0.08 0.00 0.00 -0.01 -0.05 -0.03 -0.01 -0.06 -0.02 0.00 0.06 0.03 -0.01 -0.04 -0.01 0.01 0.06 0.04 0.00 -0.05 0.00 -0.01 -0.08 -0.07 0.01 0.19 0.13 0.00 0.19 0.13 -0.01 0.02 0.03 -0.04 -0.09 -0.06 0.13 -0.07 0.18 -0.11 0.07 -0.14 0.06 -0.06 -0.07 0.13 0.07 0.10 -0.22 -0.07 0.01 -0.03 0.22 0.13 -0.23 0.20 -0.15 0.07 -0.01 -0.01 0.01 0.03 0.03 -0.15 0.04 0.03 0.09 0.05 0.03 0.06 -0.05 -0.02 -0.02 0.02 -0.03 -0.03 0.01 -0.04 0.02 -0.06 -0.02 0.02 0.02 -0.04 -0.02 0.02 -0.03 0.03 -0.08 0.23 0.00 -0.07 0.11 0.12 0.08 -0.15 0.10 0.05 0.07 -0.13 -0.05 -0.12 0.09 -0.05 0.06 -0.14 0.14 -0.11 -0.19 0.02 -0.13 -0.14 -0.10 0.07 0.15 -0.04 0.08 0.02 0.06 0.04 0.00 -0.05 -0.05 -0.08 -0.06 -0.05 0.09 0.09 0.00 -0.09 -0.09 -0.09 -0.08 0.09 0.00 0.10 -0.10 -0.09 0.09 -0.08 -0.06 0.00 0.17 0.07 -0.12 0.17 0.07 0.12 -0.06 0.12 -0.11 0.04 0.08 0.14 0.08 -0.14 -0.11 -0.05 0.05 0.14 0.14 -0.11 0.20 -0.05 -0.12 -0.10 0.02 -0.14 0.14 -0.08 0.07 -0.16 -0.03 0.08 -0.03 -0.01 -0.02 0.00 0.05 0.00 -0.16 0.06 -0.01 0.14 0.09 0.00 -0.01 0.06 -0.03 0.03 -0.01 0.12 -0.01 -0.02 0.00 -0.12 0.06 -0.03 -0.03 -0.02 -0.01 0.12 -0.01 0.11 0.02 0.00 -0.02 -0.09 -0.03 -0.15 -0.05 0.06 -0.02 -0.11 0.00 -0.18 0.24 -0.02 0.07 -0.22 -0.02 -0.03 0.10 0.04 -0.16 0.26 0.01 0.11 0.07 -0.06 -0.06 -0.26 0.01 -0.08 -0.17 0.08 0.06 -0.02 -0.03 -0.03 0.08 -0.06 -0.01 0.07 0.04 0.04 0.08 -0.14 -0.09 0.11 0.05 0.02 0.06 -0.14 -0.11 0.12 -0.04 -0.04 -0.02 0.03 0.00 0.13 0.03 0.03 0.10 -0.03 0.13 0.00 0.02 0.15 0.21 0.00 0.06 -0.06 -0.01 0.01 0.06 0.07 0.16 0.21 -0.01 -0.03 -0.18 -0.01 -0.08 0.03 0.05 0.02 -0.19 0.03 0.05 -0.17 -0.02 -0.01 -0.12 0.02 0.03 -0.27 0.03 0.04 -0.06 0.04 0.03 -0.06 0.03 -0.02 0.02 -0.01 0.04 0.00 -0.01 -0.01 -0.05 0.04 0.03 0.04 -0.01 0.02 -0.08 -0.01 -0.08 0.00 0.03 -0.03 0.02 -0.09 0.01 -0.04 0.07 0.05 -0.02 0.03 0.03 -0.03 -0.04 0.01 0.01 -0.04 -0.02 0.02 0.19 0.05 -0.01 -0.02 0.01 0.03 0.03 -0.04 -0.01 0.11 -0.02 0.06 0.20 0.14 0.00 -0.12 -0.07 -0.02 -0.13 -0.05 -0.03 0.12 0.07 0.00 -0.30 -0.22 -0.04 0.10 0.09 -0.04 -0.32 -0.20 -0.03 -0.13 -0.10 0.02 0.14 0.09 0.00 0.13 0.08 -0.08 -0.10 -0.07 0.05 0.04 -0.07 -0.11 0.09 0.02 0.08 -0.04 -0.03 -0.07 0.18 -0.04 -0.12 -0.05 0.04 0.11 -0.01 0.07 -0.06 -0.02 -0.08 0.15 0.09 -0.06 0.05 -0.03 -0.02 0.04 0.05 0.06 -0.30 0.08 0.07 0.20 0.10 0.07 0.16 0.12 0.02 -0.02 -0.04 -0.05 0.00 -0.03 0.02 0.06 0.12 0.00 0.01 -0.04 0.01 -0.02 -0.04 -0.02 0.00 0.13 0.01 0.00 -0.04 0.00 0.00 0.04 0.00 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 -0.03 0.00 0.00 0.30 -0.04 0.02 -0.11 0.00 0.00 0.21 0.00 0.00 0.40 -0.03 0.00 -0.11 -0.08 0.00 0.03 0.03 0.01 0.04 0.02 -0.01 -0.06 -0.03 0.01 0.22 0.17 0.01 -0.06 -0.04 -0.01 0.22 0.16 -0.01 0.07 0.05 -0.01 0.01 0.01 0.02 0.01 0.01 0.00 -0.04 0.01 0.00 -0.04 0.01 0.01 0.03 0.00 -0.01 -0.03 0.00 0.01 0.29 -0.02 0.00 -0.02 0.00 -0.02 -0.11 0.00 0.00 0.21 0.01 -0.02 0.39 -0.02 -0.01 0.02 0.01 0.00 -0.03 -0.03 0.19 -0.05 -0.03 -0.11 -0.07 -0.03 -0.06 0.21 -0.01 0.00 -0.06 0.00 0.00 -0.06 0.00 0.00 0.22 -0.01 0.00 -0.06 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 -0.07 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 -0.24 0.03 -0.01 0.17 -0.01 0.00 -0.21 0.01 0.00 -0.51 0.03 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 0.03 0.00 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 -0.02 0.00 0.00 0.24 -0.03 -0.01 0.00 0.00 0.00 -0.18 0.01 0.00 0.22 -0.01 0.01 0.51 -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 0.29 -0.01 0.00 -0.08 0.00 0.00 -0.08 0.00 0.00 -0.28 0.01 0.00 0.08 0.00 0.00 0.08 0.00 0.00 0.00 0.00 -0.01 -0.22 0.02 -0.01 0.30 0.00 0.00 0.07 0.01 -0.01 -0.04 0.00 0.02 -0.07 0.01 0.00 0.28 0.00 0.00 0.05 -0.01 0.00 -0.48 0.04 0.04 -0.03 0.01 0.02 0.00 0.00 0.00 0.02 -0.01 0.01 -0.02 0.01 0.01 0.02 -0.01 0.00 -0.07 -0.07 0.02 -0.01 0.01 0.00 0.05 0.06 0.02 0.00 0.00 0.00 -0.04 -0.04 -0.01 0.03 0.03 -0.01 0.23 -0.02 0.00 -0.07 -0.01 -0.01 -0.31 0.00 -0.01 0.07 0.00 0.00 -0.29 0.01 -0.01 0.04 -0.01 0.03 -0.06 0.01 0.00 0.50 -0.05 0.05 0.03 0.00 0.02 0.00 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.04 0.01 -0.21 0.00 0.00 0.11 0.00 -0.02 0.02 -0.02 0.02 -0.04 0.00 -0.02 -0.05 -0.01 0.00 0.30 -0.06 0.03 0.13 -0.01 0.00 -0.25 -0.02 -0.03 -0.07 -0.01 -0.02 -0.04 -0.03 0.02 -0.05 0.02 0.00 -0.02 -0.03 -0.02 -0.05 -0.01 0.00 0.24 0.23 -0.02 -0.03 -0.04 -0.02 0.25 0.20 -0.04 0.03 0.02 -0.01 0.22 0.17 0.04 0.23 0.15 -0.02 -0.20 0.01 0.01 0.01 -0.01 0.01 0.09 0.01 0.01 -0.04 -0.02 0.00 0.30 -0.02 -0.01 -0.04 0.01 -0.01 0.13 0.01 -0.01 -0.22 0.00 -0.01 -0.06 -0.02 0.02 0.02 0.01 0.03 -0.03 -0.03 0.20 -0.05 -0.03 -0.08 -0.08 -0.03 -0.02 -0.12 0.02 -0.02 0.03 -0.02 -0.01 0.03 0.00 0.02 -0.11 0.01 0.00 0.03 0.00 0.00 0.03 0.00 0.00 0.05 0.01 -0.06 -0.03 0.04 -0.11 0.00 0.11 0.03 0.01 0.04 -0.20 0.00 0.14 0.14 -0.01 -0.15 0.00 0.06 0.23 -0.14 0.02 0.13 0.16 0.00 0.06 0.12 -0.02 -0.16 -0.06 -0.02 -0.01 -0.05 0.03 -0.06 0.05 -0.03 0.06 0.05 0.01 -0.04 0.04 0.08 0.03 0.12 -0.03 0.03 0.04 0.00 0.04 0.12 0.02 0.01 0.01 0.06 0.00 0.03 -0.03 0.03 0.03 -0.04 -0.03 -0.11 0.01 -0.04 -0.20 0.04 -0.11 0.03 0.00 0.15 0.01 0.05 -0.24 -0.15 -0.02 -0.14 0.13 0.02 -0.14 0.16 -0.07 -0.06 0.11 0.01 0.16 -0.05 0.00 0.00 -0.10 -0.01 0.00 -0.09 -0.01 0.00 -0.13 -0.01 0.00 -0.10 -0.02 -0.12 0.14 0.01 0.22 0.08 0.01 -0.06 -0.21 -0.01 0.12 0.15 0.01 0.07 -0.21 -0.01 -0.22 0.08 -0.04 0.00 0.09 0.01 0.00 -0.01 0.01 0.01 -0.04 0.02 -0.02 -0.01 0.00 0.01 -0.05 0.00 -0.04 0.02 -0.07 0.00 -0.01 -0.02 0.03 0.04 0.00 -0.06 -0.08 -0.04 -0.05 -0.03 0.03 0.02 0.12 -0.15 0.21 -0.11 0.13 -0.22 -0.11 -0.11 0.17 -0.06 -0.09 0.13 -0.31 0.13 -0.17 -0.06 0.07 -0.13 -0.32 -0.02 -0.02 -0.04 -0.04 0.16 0.05 0.14 -0.10 0.04 0.05 0.00 -0.01 -0.02 0.02 -0.01 -0.04 -0.01 -0.04 0.01 0.04 0.02 -0.03 0.02 -0.01 0.01 -0.01 -0.05 -0.02 -0.03 0.04 0.06 0.07 -0.07 0.02 0.05 -0.03 0.01 0.01 0.27 0.01 -0.01 0.30 0.01 -0.03 0.29 -0.01 0.00 0.26 0.00 -0.05 0.05 0.00 0.06 0.02 0.00 -0.03 -0.06 0.02 0.04 0.05 0.00 0.03 -0.06 -0.01 -0.06 0.02 -0.08 0.04 -0.01 0.04 0.00 0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.01 0.00 0.00 -0.02 0.01 -0.02 -0.01 -0.11 0.02 -0.01 -0.02 0.01 0.01 0.02 -0.02 -0.02 -0.07 -0.02 -0.03 0.09 0.07 0.00 -0.06 -0.06 0.00 -0.04 -0.02 0.01 -0.05 -0.06 -0.01 0.35 0.27 0.02 -0.03 -0.02 0.01 0.16 0.14 0.02 0.02 0.02 -0.01 0.53 0.37 0.00 0.32 0.24 0.02 0.05 0.00 -0.01 -0.01 -0.01 0.01 -0.02 -0.01 0.01 0.01 -0.02 0.01 -0.07 0.01 0.01 0.01 0.00 0.02 -0.02 0.01 -0.01 0.02 -0.02 0.03 -0.04 -0.03 0.03 0.02 0.02 -0.01 -0.03 -0.05 0.23 -0.06 -0.07 -0.12 -0.09 -0.05 -0.11 0.01 0.02 -0.02 0.00 -0.03 -0.02 0.00 0.02 0.03 0.02 0.02 0.02 0.00 0.02 -0.02 -0.01 -0.02 0.01 -0.01 0.13 0.01 0.02 0.03 0.03 -0.01 -0.10 0.02 -0.02 0.02 -0.09 0.00 -0.06 -0.01 -0.01 -0.01 -0.06 0.12 -0.05 -0.11 0.02 0.01 0.02 -0.02 -0.09 -0.02 0.10 -0.02 -0.08 -0.06 -0.03 -0.01 0.08 0.04 -0.01 0.00 -0.03 0.01 0.06 0.04 -0.01 -0.34 -0.29 -0.01 -0.02 -0.03 0.02 0.21 0.13 0.01 -0.01 0.00 0.00 -0.44 -0.31 -0.05 0.14 0.10 0.04 -0.01 0.03 -0.02 0.01 0.02 0.09 0.00 -0.11 -0.02 0.00 0.00 0.05 0.00 -0.07 0.12 0.00 -0.06 0.01 0.00 0.02 -0.02 -0.03 -0.09 0.01 0.00 -0.01 0.07 -0.01 -0.01 0.00 0.01 0.01 -0.07 0.02 0.01 0.05 0.03 0.01 0.01 0.01 0.13 -0.14 0.00 -0.17 -0.09 0.00 0.11 0.16 -0.01 0.13 0.15 0.01 0.11 -0.16 0.00 -0.17 0.09 -0.01 -0.02 0.00 0.03 -0.01 0.00 -0.01 0.02 0.00 -0.02 0.00 0.01 0.00 0.01 0.00 0.00 -0.01 0.00 0.05 0.03 0.03 0.01 0.00 0.00 0.01 0.02 0.00 0.04 -0.01 0.00 0.03 0.02 -0.01 0.04 0.04 0.01 -0.07 -0.05 0.00 0.04 0.03 0.01 -0.29 -0.22 0.01 -0.06 -0.04 0.00 0.44 0.34 0.02 0.00 0.00 0.00 -0.25 -0.19 0.00 0.50 0.37 0.00 -0.01 0.00 0.00 0.03 -0.01 -0.02 0.01 0.02 0.01 0.01 0.00 -0.01 -0.12 0.00 -0.01 0.00 0.01 0.00 -0.02 0.00 0.00 0.01 0.01 0.00 -0.10 0.01 -0.01 0.01 0.00 -0.01 -0.02 0.00 0.06 -0.02 -0.01 -0.06 -0.04 -0.01 -0.02 0.02 -0.02 0.03 0.00 0.03 0.02 0.00 -0.02 -0.03 -0.01 -0.02 -0.02 0.00 -0.02 0.03 0.00 0.03 -0.01 -0.01 0.00 0.01 0.05 0.00 0.00 -0.02 0.00 0.00 -0.08 0.01 0.00 0.01 -0.01 0.00 -0.08 0.01 0.00 0.51 -0.08 0.01 0.07 -0.01 0.00 -0.10 -0.02 0.00 0.55 -0.02 0.02 0.00 0.00 0.00 -0.01 -0.01 0.00 0.01 0.00 0.00 -0.02 -0.01 -0.01 0.07 0.06 0.00 0.02 0.01 -0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 0.10 0.08 -0.01 -0.11 -0.08 -0.01 -0.03 0.00 0.00 0.06 0.00 0.00 0.01 0.00 0.00 0.06 -0.01 0.00 -0.39 0.06 0.01 0.00 0.01 0.00 -0.06 0.01 0.00 0.04 0.02 0.00 -0.41 0.01 0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.05 -0.01 0.01 -0.01 0.01 0.00 -0.01 -0.01 -0.01 -0.06 0.01 0.01 0.02 0.01 -0.01 0.01 -0.01 0.00 -0.08 -0.01 0.00 0.06 -0.01 0.00 -0.01 0.01 0.00 -0.06 0.01 0.00 0.03 0.00 0.00 -0.06 0.01 0.00 0.35 -0.03 0.02 0.04 0.00 0.00 -0.18 0.00 0.00 0.43 -0.02 0.02 0.03 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 -0.02 0.00 0.00 0.00 0.03 0.01 0.01 0.00 0.00 0.00 -0.01 -0.01 0.00 0.03 0.02 0.00 0.07 -0.01 0.00 -0.08 0.01 0.00 -0.02 0.00 0.00 -0.08 0.01 0.00 0.49 -0.05 -0.02 0.03 0.00 0.00 0.06 0.00 0.00 -0.20 0.00 -0.01 0.57 -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 -0.01 -0.05 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.03 0.00 -0.01 0.01 0.00 0.01 0.01 0.01 0.00 0.00 0.00 0.20 -0.01 0.03 0.13 0.02 -0.08 -0.04 0.00 -0.01 0.00 -0.03 -0.18 -0.08 0.03 0.09 -0.07 -0.07 -0.26 -0.10 -0.01 -0.09 -0.07 0.11 -0.29 -0.12 -0.14 0.11 -0.04 0.00 0.00 0.12 0.05 -0.08 -0.02 -0.05 0.08 -0.02 0.08 -0.10 -0.08 0.05 -0.11 -0.04 -0.08 0.10 -0.07 -0.04 0.11 -0.04 0.00 0.00 0.02 0.01 -0.09 -0.18 0.00 0.10 -0.17 0.01 -0.03 0.13 0.00 0.00 0.00 -0.02 0.09 -0.04 -0.02 -0.10 -0.08 0.06 0.26 -0.09 0.04 0.18 -0.07 0.01 0.10 -0.07 -0.12 0.30 -0.11 0.13 -0.12 -0.04 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 -0.03 -0.01 -0.11 0.11 0.00 0.11 0.08 0.00 -0.11 -0.10 0.01 0.10 0.11 0.01 0.12 -0.10 -0.01 -0.11 0.08 -0.01 -0.18 0.00 0.01 -0.04 -0.04 0.01 -0.02 0.02 -0.01 0.04 -0.03 -0.09 -0.04 0.08 0.00 0.11 -0.01 0.08 0.05 -0.03 0.04 -0.01 -0.02 0.54 -0.01 0.09 0.05 0.12 0.06 0.05 0.01 0.00 -0.02 0.02 0.00 -0.02 0.02 0.00 -0.02 0.00 0.02 -0.02 0.01 -0.01 -0.02 0.01 -0.02 -0.02 0.02 0.00 0.01 -0.01 0.00 0.09 0.06 0.05 0.09 0.06 -0.06 0.01 -0.05 0.04 -0.01 0.04 0.03 0.03 -0.01 -0.03 0.00 0.11 0.02 0.09 0.04 0.03 -0.12 -0.03 -0.09 0.05 -0.01 0.02 0.68 -0.01 -0.08 0.04 0.13 -0.05 0.01 0.00 0.00 -0.02 0.01 0.03 -0.02 0.01 -0.07 -0.03 0.00 0.04 -0.03 0.01 -0.01 0.01 -0.01 -0.01 0.01 0.01 0.02 -0.03 0.01 0.01 0.01 0.01 -0.02 0.00 -0.02 0.01 -0.03 0.16 0.00 0.03 0.04 0.04 0.02 0.02 -0.02 -0.02 -0.04 0.02 -0.11 0.04 -0.08 -0.01 -0.10 0.01 0.09 -0.06 0.03 0.05 0.01 0.01 0.63 -0.02 -0.11 0.05 -0.12 -0.04 -0.03 0.00 0.00 0.01 -0.02 0.00 0.01 -0.02 0.00 0.02 0.00 -0.02 0.03 -0.01 0.00 0.02 0.00 0.02 0.03 -0.01 0.00 -0.01 0.01 0.00 -0.09 -0.06 -0.05 -0.08 -0.06 0.05 0.04 0.04 -0.04 -0.02 -0.04 -0.02 0.01 0.01 0.02 -0.01 -0.10 -0.02 0.09 -0.06 -0.03 -0.10 0.03 0.08 0.05 0.01 -0.01 0.60 -0.03 0.12 0.06 -0.12 0.04 -0.01 0.00 0.00 0.02 -0.01 -0.03 0.02 -0.01 0.07 0.03 0.00 -0.04 -0.03 -0.01 0.01 0.01 0.01 0.01 0.01 -0.01 -0.01 -0.03 -0.01 -0.01 0.01 -0.01 0.01 0.01 0.01 -0.01 0.00 0.01 0.23 0.00 0.06 0.06 -0.05 0.05 -0.06 0.01 0.01 -0.02 0.08 0.11 -0.14 -0.02 -0.17 0.06 -0.05 0.14 0.02 -0.02 0.04 0.07 -0.46 0.07 -0.15 0.05 -0.18 0.05 0.00 0.00 0.20 0.04 -0.05 -0.03 -0.03 0.05 -0.03 0.08 -0.10 -0.09 0.04 -0.10 -0.09 -0.07 0.10 -0.09 -0.07 0.09 -0.10 -0.01 0.00 0.00 0.03 -0.09 -0.17 -0.05 0.07 -0.16 -0.01 -0.06 0.05 -0.01 -0.02 -0.03 0.05 -0.04 -0.05 0.02 0.16 0.06 0.04 -0.15 0.02 -0.07 -0.10 -0.13 0.02 -0.04 0.06 0.40 -0.07 -0.14 -0.05 0.17 0.06 0.00 0.01 0.01 0.01 -0.01 0.04 0.00 -0.02 0.02 0.00 -0.01 -0.03 -0.01 0.03 -0.03 0.00 -0.03 -0.03 0.00 0.03 0.03 0.01 -0.03 -0.03 -0.01 -0.04 0.03 0.00 0.04 -0.03 0.00 -0.01 0.04 0.00 0.01 0.01 0.07 0.02 0.00 -0.01 0.01 -0.01 -0.12 0.03 -0.01 0.00 -0.03 0.01 0.06 0.03 0.00 0.05 0.02 0.02 0.70 -0.04 -0.05 -0.01 -0.03 0.01 0.00 0.00 0.04 0.01 -0.01 0.00 -0.01 0.01 -0.01 0.01 -0.02 -0.02 0.00 -0.02 -0.02 -0.01 0.02 -0.02 -0.01 0.02 -0.02 0.00 0.00 0.00 0.03 0.00 -0.03 -0.01 0.01 -0.03 0.00 -0.01 0.01 0.01 0.00 0.00 -0.06 -0.02 -0.01 0.00 0.04 0.02 -0.05 -0.03 0.01 0.11 -0.04 -0.03 -0.04 -0.02 0.02 -0.65 0.04 -0.07 0.02 0.05 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 0.03 0.01 -0.01 -0.01 -0.02 -0.01 0.00 0.02 0.01 -0.03 -0.01 -0.01 0.00 -0.02 0.01 0.01 0.01 -0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.09 0.01 -0.01 0.01 0.00 0.00 0.09 -0.01 0.01 0.49 -0.06 0.02 -0.02 0.00 0.01 -0.05 0.00 0.00 -0.47 0.03 0.01 0.00 0.00 0.00 0.03 0.03 0.00 -0.04 -0.03 0.00 -0.04 -0.03 0.00 -0.18 -0.13 0.00 0.04 0.03 0.00 0.20 0.15 0.01 0.00 0.00 0.00 0.21 0.15 0.01 -0.23 -0.17 0.00 -0.01 0.00 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 -0.06 0.01 0.00 -0.34 0.03 0.01 -0.01 0.00 0.00 0.02 0.00 0.00 0.04 -0.01 0.00 0.34 -0.02 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 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 -0.02 -0.01 0.00 0.02 0.00 0.00 0.00 0.01 0.00 -0.07 0.00 -0.01 0.00 -0.01 0.00 0.07 0.01 0.00 0.39 -0.06 0.01 -0.02 0.00 0.00 -0.03 -0.02 0.00 -0.37 0.03 0.00 0.01 0.01 0.00 -0.04 -0.03 0.00 -0.02 -0.01 0.00 0.03 0.03 0.00 0.23 0.17 -0.01 0.02 0.01 0.00 0.14 0.11 0.00 0.01 0.01 0.00 -0.20 -0.14 -0.01 -0.09 -0.08 -0.01 0.02 0.00 0.00 -0.09 0.00 0.00 0.00 0.01 0.00 0.09 0.01 0.00 0.48 -0.06 -0.01 0.00 -0.01 0.00 -0.02 0.00 0.00 -0.04 -0.02 0.00 -0.48 0.04 -0.01 -0.01 -0.01 0.00 0.01 0.01 -0.06 0.01 0.02 0.03 0.03 0.01 0.02 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 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 -0.04 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.01 0.25 -0.07 -0.01 -0.01 0.01 0.01 -0.02 -0.01 0.00 -0.19 0.02 0.02 0.00 0.00 0.01 -0.05 -0.06 0.00 0.04 0.06 0.00 0.05 0.06 0.00 0.36 0.26 0.00 -0.04 -0.06 0.00 -0.34 -0.22 -0.03 0.00 0.00 -0.01 -0.35 -0.21 -0.05 0.33 0.20 -0.03 -0.01 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 0.00 -0.05 0.00 0.01 -0.33 0.07 -0.01 0.00 0.00 0.00 0.01 -0.01 0.01 0.02 0.00 -0.01 0.26 -0.02 0.02 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 -0.01 0.01 0.04 0.01 0.00 0.00 0.00 0.01 -0.03 0.00 -0.01 -0.22 0.10 0.02 0.00 0.00 -0.01 0.02 0.04 0.02 0.16 -0.01 -0.01 0.02 0.01 0.00 -0.06 -0.03 0.00 -0.06 -0.05 0.00 0.04 0.02 0.00 0.36 0.33 0.04 0.04 0.05 0.00 0.43 0.32 0.01 0.01 0.01 0.01 -0.25 -0.19 -0.01 -0.32 -0.21 0.01 0.00 -0.01 0.01 0.04 0.01 0.00 0.00 -0.01 0.00 -0.03 0.00 0.01 -0.23 0.09 -0.01 0.00 0.00 -0.01 0.00 0.00 0.01 0.01 0.04 -0.02 0.17 -0.01 0.01 -0.01 -0.02 0.00 0.01 0.02 -0.10 0.02 0.04 0.04 0.04 0.02 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.02 0.00 0.01 0.02 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.01 -0.02 -0.01 -0.02 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 0.01 0.02 -0.02 0.04 -0.02 0.01 0.01 -0.01 0.00 0.10 -0.13 0.00 -0.11 0.13 0.03 -0.13 0.16 0.01 0.16 -0.28 -0.30 0.09 -0.11 0.01 -0.07 0.31 -0.15 0.03 -0.01 -0.02 -0.14 0.33 -0.22 0.11 -0.24 -0.21 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.03 -0.07 0.02 -0.08 0.11 -0.09 -0.01 0.14 -0.23 -0.04 0.06 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.01 0.01 0.00 -0.01 0.01 -0.01 0.01 -0.01 0.00 0.01 -0.01 0.00 -0.02 0.01 0.05 0.02 0.00 0.00 0.00 0.00 0.00 0.04 0.00 -0.03 -0.02 0.02 0.01 -0.03 0.00 -0.05 0.06 -0.03 0.04 -0.03 0.02 0.00 0.00 -0.01 -0.01 0.08 -0.05 -0.07 0.09 0.00 0.03 -0.18 0.20 0.03 -0.04 0.02 0.01 -0.02 0.03 -0.06 0.17 0.09 0.00 0.01 -0.01 0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 -0.02 0.00 0.00 0.03 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 0.04 0.01 0.00 -0.02 -0.01 0.08 -0.11 0.00 -0.16 0.19 -0.12 -0.05 0.22 -0.54 -0.14 0.09 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.06 0.00 -0.01 -0.02 0.00 0.00 -0.13 0.06 0.00 0.08 -0.07 0.00 0.10 -0.04 0.00 -0.09 0.06 0.10 0.33 0.02 0.00 0.02 0.02 0.01 0.49 0.08 -0.05 -0.06 0.24 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.01 0.01 -0.03 -0.02 0.00 0.00 -0.01 -0.01 -0.04 -0.02 0.00 0.01 0.01 0.00 0.04 0.00 0.04 0.06 0.00 -0.05 -0.01 -0.02 0.00 0.00 0.08 0.07 0.00 -0.13 -0.07 0.00 -0.08 -0.06 0.08 0.33 0.00 0.00 0.10 0.04 0.00 0.02 -0.02 0.01 0.49 -0.06 -0.04 -0.05 -0.22 -0.03 0.01 0.00 0.04 -0.03 -0.04 0.02 -0.02 0.13 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.03 0.01 -0.01 0.00 0.01 0.00 0.00 0.01 0.01 -0.01 0.00 -0.01 0.01 0.01 0.04 0.04 0.01 -0.01 -0.04 -0.01 0.05 0.03 0.00 -0.03 0.01 -0.01 -0.13 -0.10 -0.02 -0.16 -0.10 0.00 -0.18 -0.12 0.02 0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.01 0.02 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.04 0.00 -0.01 -0.01 -0.03 0.13 0.09 -0.01 -0.10 -0.04 0.67 -0.15 -0.21 -0.42 -0.31 -0.12 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.01 0.05 0.00 -0.05 0.06 0.00 0.04 -0.01 -0.01 0.06 -0.10 0.00 -0.08 0.05 0.03 0.14 0.03 0.00 -0.10 -0.12 0.07 0.43 0.01 -0.02 -0.02 0.47 0.00 0.00 -0.08 -0.01 0.01 0.00 0.01 -0.01 0.00 -0.01 0.02 0.02 -0.01 0.06 0.07 0.01 -0.02 0.02 0.00 -0.07 0.07 -0.01 0.00 0.01 -0.02 0.00 0.03 0.01 -0.01 0.03 0.00 -0.01 0.04 0.00 -0.04 -0.01 -0.01 0.06 0.07 0.00 0.08 0.06 -0.03 -0.16 0.03 0.01 -0.06 -0.10 0.00 0.10 -0.11 -0.07 -0.44 0.00 0.01 0.01 0.43 0.00 0.01 -0.01 0.00 0.00 0.03 -0.01 -0.01 -0.02 -0.01 -0.01 -0.03 0.00 -0.02 0.03 0.00 0.02 0.03 0.00 -0.03 -0.02 0.00 0.02 0.03 0.00 0.04 -0.02 0.00 -0.02 0.03 0.01 -0.02 0.00 0.00 0.02 0.04 0.00 -0.10 0.04 0.01 0.00 -0.15 0.00 -0.04 -0.01 0.00 0.05 0.02 -0.05 -0.12 -0.21 0.01 0.20 0.21 -0.02 -0.47 -0.14 0.04 0.02 -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 0.04 0.05 0.04 0.00 0.00 0.00 0.04 0.05 -0.03 0.00 0.00 0.00 -0.02 0.00 -0.02 -0.02 0.00 0.02 0.00 0.02 -0.04 0.01 0.00 0.15 0.00 -0.09 -0.04 0.00 0.05 -0.01 -0.06 -0.13 0.21 0.00 -0.04 0.01 0.01 0.21 -0.20 -0.02 -0.50 0.13 0.04 0.02 0.20 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 0.01 0.00 -0.04 0.04 0.00 0.03 0.06 0.00 -0.06 -0.02 0.00 -0.04 -0.04 0.00 -0.06 0.02 0.00 0.03 -0.05 0.01 -0.10 0.00 0.00 0.03 0.11 0.00 0.05 0.00 0.01 -0.02 -0.07 0.00 0.02 -0.07 -0.01 0.02 0.05 -0.08 -0.36 -0.20 0.00 -0.03 -0.02 -0.02 -0.07 -0.10 0.03 0.10 0.54 0.01 -0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.01 0.03 0.05 0.02 0.00 0.00 0.00 0.04 0.06 -0.02 0.00 0.00 0.00 0.00 -0.02 0.03 -0.01 -0.02 -0.03 0.00 0.04 -0.11 0.00 -0.02 0.06 0.00 0.05 0.00 0.00 0.01 -0.05 -0.07 -0.32 0.16 0.00 0.02 0.07 0.00 -0.04 0.03 0.00 -0.04 0.09 0.03 0.11 -0.51 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.02 0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 -0.01 0.00 0.02 0.01 0.00 0.00 0.01 0.00 0.01 -0.01 0.00 0.00 0.01 0.00 -0.01 0.03 0.00 0.01 -0.07 0.00 0.05 -0.05 -0.01 0.01 0.12 0.00 0.01 0.07 0.00 -0.04 -0.05 0.07 0.34 0.25 0.00 -0.06 -0.09 0.04 0.26 0.16 -0.02 -0.09 -0.35 0.00 -0.01 0.09 0.00 -0.01 0.00 -0.01 0.01 0.01 0.01 -0.01 -0.02 0.07 0.00 -0.05 -0.01 0.01 -0.03 -0.06 0.00 -0.02 0.00 0.00 -0.03 0.00 -0.02 -0.02 0.01 0.01 -0.06 0.00 0.00 -0.08 0.01 -0.02 0.12 0.00 -0.04 -0.05 0.00 0.04 -0.05 -0.08 -0.37 0.25 0.00 -0.01 0.08 0.00 0.06 -0.09 -0.04 -0.28 0.16 0.03 0.11 -0.38 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.03 0.00 -0.01 0.01 0.00 0.01 0.03 0.00 -0.02 -0.01 0.00 0.01 0.01 0.00 0.02 -0.01 0.00 -0.01 0.03 -0.01 -0.02 0.00 0.00 0.03 0.04 0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 -0.02 -0.02 -0.01 0.04 0.02 0.00 0.00 0.00 0.00 -0.08 -0.03 0.00 -0.04 -0.11 0.05 -0.08 0.00 -0.02 0.04 -0.06 -0.03 0.04 0.06 -0.01 0.02 0.06 0.10 -0.08 -0.39 -0.02 0.03 -0.06 0.10 -0.10 0.39 0.03 -0.04 -0.01 0.10 -0.20 0.48 0.10 -0.16 -0.47 0.00 0.03 -0.03 0.00 0.01 -0.02 0.00 0.01 0.00 0.00 -0.02 0.02 -0.01 0.06 -0.03 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 -0.07 0.02 0.00 -0.05 0.14 -0.02 0.03 0.00 0.05 -0.05 0.03 0.00 -0.05 0.10 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 -0.09 -0.13 0.00 0.01 -0.01 0.00 -0.07 -0.03 0.00 0.02 0.04 0.00 0.08 0.05 -0.04 -0.17 -0.07 0.00 -0.01 -0.02 0.02 0.20 0.10 0.01 0.15 0.47 0.00 0.00 0.16 0.02 -0.02 0.01 -0.02 0.01 0.01 0.02 -0.03 -0.02 0.07 -0.14 -0.22 -0.02 0.03 -0.02 -0.06 0.16 -0.23 0.00 0.00 -0.06 0.06 -0.08 0.07 -0.06 0.09 0.09 0.00 0.10 -0.12 0.00 0.07 -0.03 0.00 -0.01 -0.01 0.00 -0.08 0.05 0.03 0.18 -0.07 0.00 -0.02 0.04 0.00 0.01 -0.02 -0.02 -0.20 0.09 -0.02 -0.17 0.48 0.00 -0.01 0.03 0.00 0.00 0.00 0.01 0.00 0.04 0.00 0.01 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.04 0.00 -0.03 -0.04 0.00 0.00 0.01 0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 0.02 0.01 0.00 0.09 0.02 0.00 0.01 -0.01 0.00 0.01 0.01 0.00 0.02 0.04 0.00 0.00 0.03 -0.03 0.04 0.01 0.03 -0.04 0.01 -0.01 0.01 -0.03 -0.10 0.11 0.19 0.01 -0.01 -0.03 0.08 -0.12 0.18 -0.01 0.00 0.17 -0.16 0.27 -0.52 0.17 -0.25 -0.54 0.00 0.04 -0.05 0.00 0.02 -0.01 0.00 0.01 0.01 0.00 -0.02 0.02 0.01 -0.05 0.01 0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 -0.04 0.02 0.00 -0.04 0.08 0.00 0.01 -0.06 0.00 0.01 -0.05 -0.02 0.03 -0.14 0.02 -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.19 0.01 0.01 -0.06 -0.16 0.00 -0.02 0.00 0.00 -0.09 -0.03 0.00 0.00 0.04 0.00 0.06 0.06 -0.07 -0.32 -0.12 0.00 0.03 0.01 0.01 0.25 0.12 0.01 0.11 0.36 -0.01 -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 0.03 -0.01 0.01 0.01 0.08 -0.04 -0.18 -0.01 0.01 -0.01 0.10 -0.08 0.23 0.01 -0.01 0.01 0.03 -0.06 0.13 0.06 -0.09 -0.23 0.00 -0.06 0.15 0.00 -0.09 0.03 0.00 -0.02 -0.01 0.00 0.06 -0.06 -0.07 -0.33 0.11 0.00 0.00 -0.03 0.00 0.03 -0.01 0.01 0.25 -0.11 0.02 0.12 -0.34 0.00 0.01 0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 -0.02 0.00 0.01 -0.01 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 0.01 0.01 0.00 -0.02 0.00 0.00 0.01 -0.02 0.00 0.00 -0.01 0.01 0.08 0.06 0.00 0.15 -0.13 0.00 -0.01 0.07 0.00 0.07 0.06 0.00 -0.03 -0.03 -0.06 -0.57 -0.12 0.00 -0.07 -0.02 0.01 0.03 0.04 0.00 0.01 0.21 0.00 0.00 -0.05 -0.01 0.02 -0.03 0.01 -0.02 -0.03 -0.01 0.01 0.03 -0.02 0.01 -0.05 0.01 -0.01 0.03 0.02 0.00 -0.06 0.00 0.00 0.10 -0.02 0.04 -0.03 0.03 -0.05 -0.04 -0.01 -0.07 0.05 0.00 0.02 0.07 0.00 -0.15 -0.14 0.00 0.02 -0.03 0.06 0.58 -0.11 0.00 -0.08 0.05 0.00 0.07 -0.02 -0.01 -0.03 0.04 0.00 -0.03 0.24 0.00 0.00 -0.05 0.00 0.00 -0.04 -0.01 0.01 -0.07 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.04 0.02 0.00 0.01 -0.01 0.00 -0.02 -0.01 0.00 0.00 0.01 0.03 0.08 0.02 0.00 0.01 0.01 0.00 0.06 0.01 0.00 -0.02 -0.11 0.00 -0.01 0.02 -0.02 0.02 -0.09 0.01 -0.02 -0.09 0.01 -0.01 0.07 0.17 -0.15 -0.56 -0.01 0.01 0.07 -0.16 0.18 -0.54 0.00 -0.01 0.21 0.04 -0.07 0.19 -0.03 0.05 0.17 0.00 0.00 -0.01 0.00 -0.01 -0.01 0.00 0.04 0.03 0.00 0.00 0.01 -0.04 -0.10 0.02 0.00 0.02 -0.01 0.00 -0.01 0.00 0.00 -0.04 0.00 0.00 0.03 -0.11 0.00 0.00 -0.09 0.01 0.01 -0.11 -0.02 0.00 -0.15 0.00 -0.02 -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 -0.06 0.00 0.01 0.11 -0.03 0.00 -0.01 -0.02 0.00 -0.02 0.01 0.00 -0.06 -0.01 0.00 0.00 0.05 -0.02 -0.32 -0.10 0.00 0.00 0.02 0.01 0.43 0.14 0.01 -0.07 -0.33 0.06 -0.07 0.00 -0.02 0.02 0.01 -0.02 0.02 -0.01 -0.01 0.01 -0.02 -0.07 0.12 0.21 -0.01 0.01 0.01 -0.06 0.12 -0.19 0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.03 0.01 0.11 0.03 0.00 -0.02 -0.01 0.00 -0.01 0.02 0.00 0.00 -0.05 -0.02 -0.31 0.09 0.00 -0.06 0.01 0.00 0.00 -0.02 0.01 0.41 -0.12 0.00 -0.08 0.31 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 -0.01 0.00 0.01 0.00 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 -0.05 0.01 0.00 0.07 0.03 0.00 -0.01 0.02 0.00 0.03 0.01 0.00 -0.01 -0.04 0.04 0.29 0.13 0.00 0.01 -0.06 -0.05 -0.51 -0.17 -0.01 0.04 0.26 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.01 0.03 0.00 -0.04 0.00 0.00 0.01 -0.03 0.00 -0.04 0.00 0.00 0.01 0.01 -0.02 0.05 -0.01 0.02 0.05 0.00 0.06 0.01 0.00 0.01 0.02 0.00 -0.07 0.03 0.00 0.01 -0.04 -0.04 -0.30 0.12 0.00 -0.04 0.01 0.00 0.00 -0.06 0.05 0.53 -0.15 0.00 -0.06 0.28 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.02 0.00 -0.02 0.00 0.01 0.10 -0.05 0.00 0.03 0.16 -0.01 -0.15 -0.04 0.00 -0.11 -0.04 0.00 0.00 0.12 0.05 0.49 0.20 0.01 0.14 -0.17 -0.03 -0.19 -0.06 0.02 -0.01 0.08 0.02 -0.03 0.00 -0.01 0.01 0.01 -0.01 0.01 -0.01 0.00 0.00 -0.01 -0.05 0.03 0.08 0.00 0.00 0.01 -0.05 0.03 -0.08 0.00 0.00 0.00 0.00 0.01 -0.02 0.00 0.01 0.02 0.00 0.09 0.06 -0.01 -0.15 0.03 0.01 0.04 -0.16 0.00 0.00 -0.12 0.05 0.51 -0.19 0.00 -0.11 0.03 0.00 0.13 0.18 -0.03 -0.21 0.06 0.02 -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 -0.02 0.03 0.00 0.00 -0.05 0.00 0.01 0.01 0.00 -0.01 -0.03 0.00 0.01 -0.01 0.00 -0.01 0.05 0.02 -0.07 0.00 0.00 0.03 0.01 0.00 0.01 -0.01 0.00 -0.01 -0.02 0.00 -0.04 -0.02 0.00 0.01 0.04 -0.02 -0.03 -0.03 0.00 0.00 0.01 0.00 0.20 0.06 0.01 -0.02 -0.16 -0.11 0.17 0.00 0.02 -0.03 -0.01 0.02 -0.03 0.00 0.02 -0.02 0.05 0.20 -0.22 -0.47 0.01 -0.02 -0.05 0.19 -0.24 0.46 0.02 -0.02 0.00 -0.08 0.13 -0.26 -0.08 0.12 0.26 0.00 0.03 -0.01 0.00 -0.01 0.02 0.00 0.01 0.01 0.00 0.01 -0.03 -0.03 -0.02 0.03 0.00 -0.04 0.02 0.00 0.00 -0.01 0.00 0.19 -0.05 0.01 -0.03 0.16 -0.01 0.01 0.00 0.03 -0.03 0.00 -0.01 -0.03 0.02 0.02 0.01 -0.03 0.00 -0.01 0.02 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.01 -0.02 0.00 0.01 0.00 0.00 0.00 0.01 0.01 -0.03 0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.00 -0.01 -0.01 0.00 -0.02 -0.01 0.00 0.01 0.02 -0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.08 0.02 0.00 -0.01 -0.07 -0.07 0.11 0.00 0.05 -0.07 -0.10 0.05 -0.07 0.10 0.04 -0.06 0.05 -0.05 0.05 0.19 0.04 -0.06 -0.05 -0.06 0.06 -0.21 -0.16 0.22 0.01 0.17 -0.25 0.43 0.16 -0.23 -0.42 0.00 0.01 -0.01 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.01 -0.01 -0.01 0.03 0.00 0.00 -0.02 0.01 0.00 0.00 -0.01 0.00 0.07 -0.02 0.00 -0.01 0.06 0.05 -0.07 -0.01 -0.24 0.22 0.02 0.08 0.21 -0.09 -0.11 -0.02 0.17 0.00 -0.02 0.02 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 -0.01 -0.01 0.00 0.01 0.00 0.00 0.00 0.01 0.01 -0.08 0.00 0.00 0.05 0.03 0.00 0.03 0.03 0.00 -0.02 -0.02 0.00 -0.05 -0.03 0.00 0.01 0.07 0.00 0.07 0.01 0.00 -0.04 -0.10 0.00 0.03 0.00 0.01 -0.04 -0.23 -0.03 0.05 0.00 0.01 -0.01 -0.02 0.01 -0.01 0.02 0.01 -0.02 0.03 0.02 -0.02 -0.04 0.01 -0.02 -0.03 0.02 -0.02 0.03 -0.02 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.05 -0.03 0.00 -0.02 0.02 0.00 0.04 -0.03 0.00 0.01 -0.06 0.00 0.08 -0.01 0.00 -0.05 0.02 0.00 -0.04 0.10 -0.01 0.03 0.00 0.00 -0.05 0.23 0.01 -0.01 0.00 -0.04 0.03 0.01 0.02 0.03 -0.01 -0.02 0.00 0.02 0.02 0.32 -0.34 0.00 0.06 0.30 -0.01 -0.30 -0.04 0.01 0.30 0.35 -0.01 -0.30 0.02 0.01 0.07 -0.29 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.09 0.04 0.00 -0.05 -0.08 0.00 -0.04 0.01 0.00 0.00 -0.04 0.00 -0.01 -0.07 0.00 -0.01 -0.01 -0.01 0.02 -0.01 -0.01 0.01 0.00 0.02 0.00 0.00 0.01 -0.01 0.00 -0.02 -0.01 0.02 0.01 -0.01 0.01 0.04 -0.05 0.13 -0.05 0.06 0.17 0.00 0.02 0.00 0.00 0.01 0.00 0.00 -0.02 -0.02 0.00 -0.01 0.01 -0.01 -0.10 0.04 0.00 0.00 0.01 0.00 0.05 -0.07 0.00 0.03 0.01 0.00 0.00 -0.05 0.00 0.00 0.00 0.01 0.00 0.01 -0.01 0.00 -0.01 0.01 -0.01 -0.04 -0.02 -0.33 0.36 0.00 -0.06 -0.31 0.01 0.31 0.04 0.01 0.32 0.38 -0.02 -0.32 0.02 0.01 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.01 0.00 -0.01 0.01 -0.01 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.03 0.00 0.00 0.00 0.01 -0.01 0.02 0.00 -0.01 0.02 -0.01 0.02 -0.04 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 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.02 -0.13 -0.24 -0.12 0.62 0.30 0.24 0.43 0.17 0.22 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.01 0.18 -0.10 0.00 -0.02 0.14 0.00 0.00 0.05 0.00 -0.01 -0.01 -0.01 -0.07 0.08 -0.03 -0.39 -0.08 0.00 0.07 -0.14 -0.03 -0.36 -0.12 0.00 -0.11 -0.09 0.00 0.00 0.10 -0.01 0.02 0.04 0.01 -0.03 0.05 0.02 -0.03 0.00 0.03 -0.07 -0.14 -0.02 0.03 -0.01 -0.03 0.08 -0.13 0.00 0.00 -0.04 -0.04 0.06 -0.19 0.03 -0.04 -0.18 -0.01 -0.18 -0.11 0.00 0.00 0.05 0.00 0.01 0.14 0.00 0.06 0.08 0.03 0.39 -0.07 0.00 0.02 -0.01 0.00 -0.06 -0.13 0.03 0.35 -0.10 0.00 0.11 -0.10 0.00 0.00 0.01 0.01 -0.01 -0.01 -0.01 0.00 0.00 0.01 0.00 0.02 0.00 -0.02 0.01 0.00 0.00 0.01 0.00 0.02 0.00 0.00 0.02 0.01 0.00 -0.02 0.00 0.00 0.00 0.01 0.00 -0.01 0.34 0.00 0.09 -0.11 0.00 0.11 0.04 -0.01 -0.12 -0.02 0.00 -0.10 -0.02 0.00 0.02 0.14 -0.02 -0.01 0.02 0.00 0.08 -0.10 0.00 0.11 0.05 0.00 -0.02 -0.09 0.00 0.00 -0.21 0.03 -0.05 -0.07 -0.03 0.06 -0.08 -0.04 0.06 0.00 -0.08 0.11 0.28 0.04 -0.06 0.00 0.09 -0.13 0.30 0.00 -0.01 0.07 0.09 -0.13 0.39 -0.09 0.11 0.39 0.00 -0.08 -0.11 0.01 0.12 -0.02 0.00 -0.11 0.03 0.00 -0.03 0.14 0.02 -0.01 0.02 0.00 0.10 -0.01 0.00 -0.07 -0.10 0.00 -0.12 0.05 0.00 0.02 -0.10 0.00 0.00 -0.01 -0.03 0.02 0.02 0.01 0.03 -0.02 0.00 -0.02 -0.07 0.00 0.01 -0.03 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 -0.01 -0.03 0.00 0.01 0.00 0.00 -0.01 0.04 0.00 0.09 0.00 0.00 -0.11 0.09 0.00 0.10 0.01 0.00 -0.06 -0.11 0.00 -0.04 -0.07 0.00 0.11 0.07 0.04 0.40 0.04 0.00 -0.11 0.07 0.00 0.27 0.01 0.01 0.06 -0.31 0.01 -0.03 0.00 0.00 -0.01 0.05 0.00 0.00 -0.06 -0.02 0.03 -0.09 0.00 -0.03 0.04 -0.02 0.03 0.09 0.00 -0.03 -0.04 0.02 -0.03 0.00 0.07 -0.09 0.17 0.07 -0.09 -0.17 0.00 -0.11 -0.10 0.00 -0.07 0.11 0.00 0.10 0.00 0.00 0.11 -0.06 0.04 0.43 -0.03 0.00 -0.04 0.07 0.00 -0.10 -0.08 0.01 0.28 -0.01 0.01 0.05 0.30 0.00 0.00 0.00 0.01 -0.02 0.02 0.00 -0.02 0.01 0.00 0.01 0.02 0.00 -0.02 0.00 0.00 0.00 0.01 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 -0.02 0.00 0.08 0.04 0.00 -0.10 -0.10 0.00 -0.05 0.05 0.00 -0.10 0.06 0.00 -0.06 -0.10 0.02 0.17 0.14 0.01 0.19 -0.02 0.01 0.17 0.17 -0.01 0.04 0.55 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.01 0.02 0.00 0.00 0.01 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.01 0.00 0.00 -0.08 0.04 0.00 0.04 0.05 0.00 0.11 -0.09 0.00 0.07 -0.09 -0.02 -0.16 0.13 0.00 0.09 0.07 -0.01 -0.19 -0.04 -0.01 -0.15 0.15 0.00 -0.06 0.55 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.02 0.00 0.00 0.00 -0.02 -0.01 0.00 0.00 0.01 0.00 0.03 0.00 0.00 0.02 -0.01 0.00 -0.04 0.00 0.00 0.00 0.01 0.00 -0.03 -0.01 0.00 0.02 -0.01 0.00 -0.01 0.00 0.00 0.02 0.02 0.00 0.00 0.01 0.00 -0.02 -0.01 0.00 -0.07 -0.02 0.00 0.01 -0.01 0.00 -0.04 0.00 0.00 -0.01 0.02 -0.01 0.02 0.01 -0.01 0.00 0.12 -0.01 0.01 -0.11 0.00 0.00 -0.11 0.11 -0.12 -0.18 0.00 0.00 0.10 0.10 -0.13 0.17 0.00 0.01 0.00 0.09 -0.11 0.12 0.07 -0.11 -0.12 0.00 0.02 0.01 0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 -0.06 0.01 0.00 0.00 -0.01 0.00 0.02 0.01 0.00 -0.02 0.00 0.00 -0.01 -0.03 0.04 -0.03 0.01 -0.40 0.46 -0.09 0.19 0.20 0.22 -0.36 -0.24 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 0.02 -0.01 0.00 -0.01 -0.01 0.00 0.02 0.02 0.00 0.00 0.01 0.00 -0.02 -0.01 0.00 -0.07 -0.01 0.00 0.03 -0.02 0.00 -0.02 0.01 0.00 -0.02 0.04 -0.05 0.09 0.00 0.03 -0.04 0.07 0.03 -0.04 -0.07 -0.02 0.04 -0.11 0.06 -0.09 -0.01 -0.03 0.04 0.12 0.06 -0.09 0.00 -0.01 0.00 0.00 0.11 -0.16 0.27 0.12 -0.15 -0.29 0.00 0.02 0.01 0.00 0.02 -0.02 0.00 -0.02 0.01 0.00 -0.02 0.01 0.00 -0.07 0.01 0.00 0.00 -0.01 0.00 0.03 0.02 0.00 -0.02 -0.01 0.00 -0.01 -0.05 -0.03 0.01 -0.01 0.36 -0.42 0.07 -0.18 -0.16 -0.27 0.34 0.21 0.26 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.08 0.00 -0.01 0.15 0.00 0.07 -0.01 0.00 0.10 -0.03 0.00 0.01 0.11 -0.03 -0.31 -0.16 0.00 -0.09 -0.04 -0.01 -0.32 -0.18 0.00 -0.08 -0.40 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 0.00 0.02 0.00 0.02 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.01 0.00 -0.03 0.08 0.00 0.07 0.01 0.00 0.00 -0.15 0.00 0.01 -0.11 -0.03 -0.33 0.15 0.00 0.10 0.04 0.00 -0.10 0.04 -0.01 -0.32 0.17 0.00 -0.10 0.41 0.00 0.00 0.00 0.02 -0.02 0.00 -0.01 0.00 -0.02 0.02 0.01 0.01 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.01 0.00 -0.01 0.01 0.02 -0.01 0.01 0.00 0.01 0.00 -0.01 0.01 -0.02 -0.04 0.01 -0.01 -0.01 -0.01 0.00 0.01 -0.02 0.00 -0.02 0.01 -0.02 0.02 -0.02 0.02 0.06 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 -0.03 -0.04 0.06 -0.09 -0.01 0.17 0.01 0.61 -0.34 0.55 -0.05 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 0.05 0.11 0.00 0.13 -0.03 -0.01 -0.13 -0.08 0.00 -0.07 -0.02 0.00 0.06 0.08 0.04 0.34 0.10 0.00 0.01 -0.02 0.01 0.18 0.05 0.01 0.04 -0.07 0.00 0.00 -0.05 -0.04 0.05 0.08 0.03 -0.05 0.07 0.04 -0.06 0.04 0.11 -0.11 -0.34 -0.04 0.05 0.04 -0.11 0.12 -0.32 0.00 0.00 -0.09 -0.07 0.10 -0.30 0.07 -0.09 -0.29 0.00 -0.05 0.11 0.01 0.13 -0.07 0.00 -0.12 -0.03 0.00 -0.06 0.08 -0.04 -0.34 0.08 0.00 0.07 -0.02 0.00 -0.01 -0.02 -0.01 -0.18 0.05 0.00 -0.03 -0.08 0.00 0.00 0.02 -0.01 0.01 0.02 0.01 0.02 0.03 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.01 0.06 0.07 0.00 0.04 -0.01 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 0.04 0.05 0.01 0.20 0.05 0.00 -0.02 -0.01 0.00 0.01 0.00 0.01 0.03 -0.07 -0.01 0.02 0.24 0.06 -0.07 -0.11 -0.03 0.04 -0.06 -0.06 0.08 -0.07 -0.15 0.15 0.47 0.03 -0.04 -0.07 0.12 -0.12 0.33 0.03 -0.04 0.12 0.07 -0.11 0.35 -0.08 0.12 0.28 -0.01 -0.07 0.07 0.01 0.10 -0.05 0.00 -0.04 -0.01 0.00 -0.05 0.04 0.00 -0.22 0.05 0.00 0.00 -0.01 0.00 0.03 0.00 0.00 -0.01 -0.01 -0.01 -0.03 -0.06 0.00 0.00 -0.02 -0.03 0.04 -0.04 0.01 0.05 -0.02 0.01 -0.03 -0.11 0.00 0.01 0.02 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.02 -0.03 0.00 0.02 0.01 0.00 0.00 0.01 0.00 -0.03 -0.01 0.00 0.01 -0.01 0.00 0.02 0.00 -0.01 0.06 0.02 0.00 -0.02 0.02 0.00 0.00 -0.01 0.00 0.02 0.00 0.08 -0.14 0.04 -0.07 0.09 0.10 -0.09 0.12 -0.14 0.09 -0.12 0.00 0.07 -0.07 -0.29 0.10 -0.14 -0.02 0.13 -0.14 0.44 -0.16 0.23 0.03 0.04 -0.07 -0.14 0.02 -0.04 0.24 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 0.00 0.00 0.01 0.00 0.00 -0.01 -0.02 0.00 0.01 0.01 0.00 0.01 -0.02 0.01 -0.02 -0.01 0.22 -0.21 -0.06 -0.14 -0.19 -0.25 0.08 0.15 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.01 0.00 0.01 0.00 0.00 0.00 -0.01 -0.01 0.09 0.00 -0.01 -0.21 0.11 0.00 0.05 -0.13 0.01 0.17 -0.04 0.00 -0.08 0.05 0.00 -0.05 0.17 -0.02 -0.20 -0.20 0.01 0.12 -0.15 0.00 0.03 0.09 0.00 -0.13 -0.22 0.03 -0.06 0.00 -0.02 0.02 0.00 -0.02 0.02 0.00 0.01 -0.02 0.02 0.00 0.02 -0.04 0.01 -0.02 -0.01 0.00 0.01 0.04 -0.02 0.03 0.00 -0.01 0.01 -0.05 -0.01 0.01 0.05 -0.01 -0.21 -0.12 0.01 0.17 0.05 0.00 0.05 0.13 0.00 -0.05 -0.17 -0.03 -0.21 0.19 0.00 -0.08 -0.05 0.00 0.12 0.16 0.00 0.03 -0.09 0.00 -0.14 0.22 0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.02 0.01 0.01 0.03 0.00 0.22 0.22 0.00 -0.05 -0.16 0.00 -0.14 -0.04 0.01 0.23 -0.21 -0.01 -0.14 0.03 0.00 -0.06 0.15 0.00 0.00 -0.08 -0.01 -0.22 0.12 0.00 0.04 -0.10 0.01 0.17 -0.05 0.00 -0.05 0.05 0.00 -0.05 0.17 -0.02 -0.18 -0.20 0.00 0.09 -0.14 0.00 -0.03 0.06 0.00 -0.12 -0.25 0.00 0.00 0.04 0.00 0.00 0.04 0.00 0.00 0.04 -0.01 0.02 -0.07 0.01 -0.03 0.01 0.01 -0.02 -0.07 0.00 0.03 0.01 0.00 0.00 0.06 0.05 -0.07 0.11 -0.05 0.06 0.11 0.01 0.21 0.13 -0.01 -0.16 -0.06 0.00 -0.03 -0.10 0.00 0.04 0.17 0.02 0.19 -0.19 0.00 0.05 0.05 0.00 -0.09 -0.14 0.00 0.03 0.06 0.00 0.13 -0.25 0.00 0.00 -0.01 0.02 -0.01 -0.01 -0.01 -0.04 0.00 -0.02 0.01 0.02 0.00 -0.22 -0.21 0.00 0.05 0.14 0.00 0.14 0.04 0.01 0.23 -0.20 -0.01 -0.14 0.03 0.00 -0.06 0.15 0.00 0.00 0.05 0.01 0.05 -0.01 0.00 -0.12 -0.06 0.00 -0.07 -0.03 0.00 0.12 0.06 0.00 0.04 0.05 0.01 0.09 0.02 0.00 -0.06 -0.01 -0.01 -0.20 -0.04 0.01 0.02 -0.08 0.00 0.00 0.06 0.02 -0.02 -0.22 -0.02 0.03 -0.21 0.03 -0.05 0.26 -0.13 0.17 0.20 -0.03 0.05 0.26 0.12 -0.17 0.18 0.00 0.00 -0.17 -0.16 0.22 -0.27 0.15 -0.20 -0.28 -0.01 -0.05 -0.01 0.00 0.07 -0.03 0.00 0.12 -0.05 0.00 -0.04 0.05 0.00 -0.09 0.02 -0.01 -0.12 0.05 0.00 0.06 -0.01 0.01 0.20 -0.03 0.00 -0.02 -0.08 0.00 -0.01 0.03 -0.04 0.02 0.01 0.02 0.11 -0.02 0.07 -0.02 -0.05 0.00 -0.08 -0.08 0.00 0.02 0.05 0.00 0.04 0.01 0.00 0.08 -0.07 0.00 -0.04 0.01 0.00 -0.02 0.05 0.00 -0.03 0.00 0.01 0.16 0.01 0.00 -0.16 -0.18 -0.01 -0.21 -0.07 0.01 0.24 0.13 0.00 0.10 0.09 0.03 0.29 0.11 -0.01 -0.14 0.00 0.00 -0.32 -0.04 0.01 0.08 -0.13 -0.01 0.02 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 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 -0.01 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.01 0.17 0.00 -0.01 -0.21 0.07 -0.01 -0.17 0.17 0.00 0.11 -0.08 0.03 0.29 -0.10 0.01 0.24 -0.11 -0.01 -0.14 0.00 -0.01 -0.32 0.03 0.01 0.08 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.11 0.11 0.00 -0.03 -0.07 0.00 -0.06 -0.02 0.01 0.11 -0.10 0.00 -0.06 0.02 0.00 -0.03 0.06 0.00 0.00 -0.01 0.00 0.11 -0.09 0.00 0.10 0.14 -0.01 -0.07 0.06 0.00 -0.05 -0.12 0.01 0.04 -0.19 0.01 0.10 0.14 -0.01 -0.11 0.19 0.01 0.21 -0.07 0.00 0.13 0.24 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.02 0.00 0.01 -0.03 0.02 -0.01 -0.02 0.00 -0.01 -0.03 -0.02 0.01 -0.02 0.00 0.00 0.02 0.02 -0.02 0.03 -0.02 0.02 0.03 0.00 -0.11 -0.11 0.01 0.07 0.08 -0.01 -0.13 0.19 0.00 -0.03 -0.23 -0.01 -0.11 0.15 0.01 0.07 -0.15 0.00 0.12 0.23 -0.01 -0.24 -0.10 0.00 -0.16 0.28 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 -0.24 -0.21 0.00 0.05 0.11 0.00 0.14 0.05 0.01 0.21 -0.17 -0.01 -0.12 0.04 0.00 -0.05 0.09 0.00 -0.05 0.00 0.00 0.08 -0.11 0.00 0.08 0.27 0.00 -0.04 0.08 0.00 -0.06 -0.18 0.01 0.03 -0.23 0.00 0.04 0.12 -0.01 -0.13 0.24 0.00 0.19 -0.14 0.00 0.14 0.28 -0.01 0.02 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.06 0.10 0.00 -0.02 -0.07 0.01 0.06 -0.23 0.00 0.02 0.19 0.01 0.03 -0.10 -0.01 -0.05 0.15 0.00 -0.10 -0.20 0.00 0.13 0.13 0.00 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.21 0.18 0.00 -0.04 -0.10 0.00 -0.12 -0.04 0.01 0.26 -0.21 -0.01 -0.14 0.04 0.00 -0.06 0.11 0.00 0.00 0.08 0.00 0.12 0.00 -0.01 -0.21 -0.10 -0.01 -0.14 -0.04 0.01 0.20 0.09 0.00 0.06 0.05 0.02 0.18 0.08 0.00 -0.09 0.01 -0.01 -0.30 -0.06 0.01 0.05 -0.08 0.00 0.00 -0.14 -0.03 0.03 0.17 0.03 -0.03 0.17 -0.02 0.03 -0.17 0.12 -0.13 -0.20 0.02 -0.03 -0.16 -0.11 0.13 -0.19 0.00 0.00 0.10 0.10 -0.13 0.14 -0.09 0.12 0.15 0.00 -0.12 -0.01 0.01 0.14 -0.04 0.01 0.22 -0.10 0.00 -0.06 0.05 -0.02 -0.18 0.07 -0.01 -0.20 0.09 0.00 0.09 0.00 0.02 0.31 -0.05 -0.01 -0.04 -0.09 0.00 0.01 -0.01 0.02 -0.01 0.00 -0.01 -0.06 0.01 -0.04 0.01 0.03 0.00 -0.04 -0.06 0.00 0.01 0.03 0.00 0.02 0.01 0.00 0.05 -0.06 0.00 -0.02 0.01 0.00 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.03 -0.04 0.58 0.56 0.26 -0.35 0.10 0.14 0.08 -0.32 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 -0.04 0.02 0.34 0.33 0.17 0.65 -0.22 -0.28 -0.12 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.08 0.01 0.07 0.04 0.03 -0.48 0.14 0.21 -0.20 0.75 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 -0.01 0.00 0.00 0.00 0.04 -0.06 -0.04 0.14 -0.18 0.12 0.01 -0.01 0.01 0.01 -0.02 -0.01 0.00 0.00 0.00 -0.49 0.65 0.48 -0.09 0.12 -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 0.01 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 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 0.01 -0.01 0.01 0.01 -0.04 0.05 -0.03 0.04 -0.06 0.04 0.15 -0.19 -0.14 0.00 0.00 0.00 0.08 -0.11 -0.08 -0.48 0.66 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 -0.01 0.00 -0.03 -0.13 0.36 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.08 -0.01 0.00 0.00 0.00 0.02 -0.03 0.02 0.03 -0.04 -0.03 0.01 -0.01 -0.01 -0.24 0.31 -0.22 0.01 -0.01 0.01 -0.39 0.50 0.37 0.00 0.00 0.00 -0.06 0.08 0.06 -0.11 0.15 -0.11 0.00 0.00 0.00 0.00 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 0.00 0.00 0.00 0.02 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.05 0.01 0.00 0.00 0.00 0.04 -0.05 0.03 -0.02 0.03 0.02 0.01 -0.01 -0.01 -0.41 0.52 -0.36 -0.01 0.01 -0.01 0.22 -0.28 -0.21 0.00 0.00 0.00 -0.12 0.16 0.12 0.08 -0.11 0.07 0.00 0.00 0.00 0.00 0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.06 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 0.02 0.00 0.04 0.21 -0.57 0.00 0.00 0.00 0.00 0.01 -0.04 -0.01 -0.19 0.03 0.00 0.00 0.00 0.01 -0.02 0.01 0.01 -0.02 -0.01 0.00 0.00 0.00 -0.14 0.18 -0.13 0.00 0.00 0.00 -0.16 0.21 0.16 0.00 0.00 0.00 -0.02 0.03 0.02 -0.03 0.04 -0.03 0.00 0.00 0.00 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 0.01 0.00 0.03 0.19 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.03 -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 -0.02 0.00 -0.04 -0.20 0.55 0.00 0.00 0.00 0.00 -0.01 0.04 0.01 0.19 -0.03 0.00 0.00 0.00 0.01 -0.02 0.01 -0.01 0.02 0.01 0.00 0.00 0.00 -0.15 0.20 -0.13 0.00 0.00 0.00 0.17 -0.22 -0.16 0.00 0.00 0.00 -0.03 0.04 0.03 0.04 -0.05 0.04 0.00 0.00 0.00 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 0.01 0.00 0.03 0.19 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.03 -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 0.02 -0.04 0.00 0.00 0.00 0.01 -0.26 0.82 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 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 0.01 0.02 0.00 0.01 0.04 0.00 0.00 0.00 0.01 -0.13 -0.47 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 0.00 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 -0.15 0.46 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 -0.01 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 -0.03 0.00 -0.02 -0.07 0.00 0.00 0.00 -0.02 0.23 0.83 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 -0.08 0.01 0.02 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 0.01 0.06 0.94 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 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 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 -0.04 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 -0.02 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 -0.08 -0.02 0.01 0.08 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.05 0.94 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 6 6 6 6 6 1 6 1 1 6 6 6 6 1 6 1 6 1 1 6 6 6 6 1 6 6 1 1 6 1 1 1 7 8 8 7 8 8 298.150 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 6 6 6 6 6 6 1 6 1 1 6 6 6 6 1 6 1 6 1 1 6 6 6 6 1 6 6 1 1 6 1 1 1 7 8 8 7 8 8 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 14.00307 15.99491 15.99491 14.00307 15.99491 15.99491 345.08753 -0.00269 0.01759 0.99984 -0.00985 0.9998 -0.01761 0.99995 0.0099 0.00252 asymmetric 1 0.00920 0.00740 0.00415 0.19174 0.15409 0.08640 764992.2 41.28 45.82 53.63 74.24 80.61 119.71 122.64 127.51 171.27 205.50 256.11 303.44 312.03 328.05 356.22 416.71 420.20 449.92 525.93 530.18 574.64 600.39 615.87 658.14 674.77 721.52 742.46 746.44 778.63 833.93 854.75 875.59 910.51 930.77 938.29 994.34 1036.10 1044.98 1063.23 1080.51 1120.18 1139.84 1148.22 1162.45 1218.52 1227.61 1229.64 1260.13 1267.49 1315.09 1346.74 1352.85 1373.61 1381.51 1433.31 1434.44 1455.13 1461.54 1474.01 1483.78 1520.52 1523.44 1587.98 1613.83 1649.38 1670.99 1696.99 1730.49 1773.44 1783.43 1788.58 1820.27 1875.35 1894.20 1921.34 1947.97 1969.59 1999.50 1999.73 2052.24 2060.96 2080.45 2090.30 2116.54 2127.08 2145.84 2156.81 2173.02 2199.10 2242.69 2248.76 2316.41 2320.70 2366.48 2376.58 2385.60 2386.18 2396.34 4379.57 4475.97 4538.30 4625.39 4627.35 4662.32 4663.18 4676.38 4676.83 4685.27 4689.80 4700.48 4701.77 0.291370 0.311859 0.312803 0.239707 -1179.725793 -1179.705304 -1179.704360 -1179.777456 195.694 79.187 153.843 0.000 0.000 0.000 0.889 2.981 43.410 0.889 2.981 36.086 193.917 73.225 74.347 1 0.593 1.984 5.918 2 0.594 1.983 5.711 3 0.594 1.982 5.399 4 0.596 1.977 4.755 5 0.596 1.975 4.592 6 0.600 1.961 3.814 7 0.601 1.959 3.766 8 0.601 1.957 3.690 9 0.609 1.933 3.116 10 0.616 1.910 2.766 11 0.628 1.869 2.349 12 0.643 1.824 2.036 13 0.646 1.815 1.985 14 0.651 1.798 1.895 15 0.661 1.767 1.748 16 0.686 1.693 1.476 17 0.687 1.689 1.462 18 0.701 1.649 1.348 19 0.739 1.543 1.098 20 0.741 1.537 1.086 21 0.765 1.471 0.965 22 0.780 1.433 0.901 23 0.790 1.409 0.865 24 0.816 1.344 0.774 25 0.826 1.319 0.740 26 0.857 1.247 0.654 27 0.871 1.214 0.619 28 0.874 1.208 0.613 29 0.896 1.159 0.563 30 0.936 1.075 0.486 31 0.952 1.044 0.460 32 0.967 1.014 0.435 0.580064e+24 23.763476 54.717426 0.134020e+09 8.127170 18.713501 0.100000e+01 0.000000 0.000000 0.251970e+09 8.401349 19.344821 0.171774e+08 7.234956 16.659103 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.0170 -0.2153 15.8815 15.8830 -140.3539 -148.7296 -93.8998 -5.0196 0.4238 -0.3151 -12.6928 -21.0685 33.7612 -5.0196 0.4238 -0.3151 -1.0908 -9.2712 434.0528 -0.1182 1.0517 -13.9318 0.7854 3.3831 157.2743 -13.1224 -230.9992 -6872.1112 -6317.3882 -43.1574 5.4686 -84.4047 17.4132 27.3033 -14.5615 -1011.8165 -1340.7737 -2812.1001 8.6035 12.2360 -114.0439 0 -1180.0171627 8.379E-9 5.497E-6 0.2913701 0.3118585 C01 [X(C20H13N2O4)] -0.0118571 -0.0830864 6.2307236 0.1876586 0.1132196 -0.0055573 0.0869558 2.2599605 -0.026922 0.0065782 -0.0154233 3.6605813 -0.0262246 -0.0246053 0.3319005 -0.0383617 -1.3264661 -0.9059944 -0.0210495 -0.5990824 -0.5722769 0.0404184 -0.0237133 -0.0043729 0.0064049 0.3233732 0.3591554 0.0169151 0.3326097 0.2996657 -0.0325371 0.0211432 0.006537 0.0199706 0.3453558 0.346577 -0.041956 -0.2653729 0.0819056 -0.0804932 -0.0102952 -0.0268222 -0.0338383 -0.7067651 -0.5367583 -0.0008532 -0.2140296 -0.0727463 -0.0804254 -0.0209599 -0.0235877 0.0116127 0.0209112 0.0132796 0.0228698 0.2354488 -0.0639633 0.1272461 0.0359709 0.0177922 -0.0023165 0.1323019 0.0073113 0.0083053 0.0446584 0.0026812 0.1382311 0.0056726 -0.0018787 0.010018 0.2325716 -0.0087902 -0.0282443 -0.5225526 -0.5195029 0.150217 0.0099607 0.0039898 -0.0000165 0.1508296 0.0577779 0.0017206 0.0567203 0.1183913 0.1511629 -0.0016201 0.013629 -0.0026377 0.1045807 0.0092014 0.0001196 0.0028504 0.1513953 -0.0500903 -0.0302046 -0.0392448 0.0221185 -0.1309756 0.0921807 -0.0096664 0.0442748 -3.192138 0.0031879 -0.0696368 -0.2488485 -0.0498925 -0.0631653 1.1551511 0.1171645 -0.1560597 1.5596346 0.0025208 -0.0744771 0.2607679 -0.0401478 -0.0223039 -1.2552253 -0.1074305 0.1180102 1.5780986 -0.0898948 0.0036912 -0.7249677 -0.0264764 -0.0696068 1.0810761 -0.2305324 0.3109489 -1.4834482 0.094976 0.0300399 -0.0485017 0.0454102 0.0347142 0.0019474 -0.052924 0.0481576 0.0933078 -0.0697737 -0.0191597 0.7069729 -0.0359982 -0.0411101 -1.049634 0.2146715 -0.2834202 -1.5688381 0.0942012 0.0248345 0.056038 0.0417961 0.0338098 0.0007214 0.04983 -0.045072 0.0913119 0.2084349 -0.1086864 0.1418843 -0.1119117 0.2789971 0.1551465 0.0331037 0.0201001 2.0713873 0.0798597 0.070096 0.0088846 0.0550189 0.0594933 -0.1179269 0.0414513 -0.0499154 0.011264 0.0819481 0.0706529 0.003615 0.0566848 0.0560167 0.1227345 -0.0359799 0.0509984 0.0200508 -0.0282613 -0.0257467 -0.3249741 -0.0428033 -1.3781717 0.8778766 0.0205259 0.5650033 -0.5201644 -0.0327282 0.0152142 -0.0085942 0.0221822 0.3468828 -0.3369435 0.0366018 0.2714592 0.0782576 0.0398649 -0.0216139 0.0031555 0.0077027 0.3471462 -0.3557671 -0.0125022 -0.3296347 0.2733251 -0.0786541 -0.0082142 0.0182208 0.0088274 0.029673 -0.008196 -0.0163664 -0.2270245 -0.0746503 0.1268692 0.0377079 -0.0137407 -0.0023333 0.1378678 -0.0010683 -0.0053332 -0.0361934 0.0023915 -0.0798299 -0.0147908 0.0243851 -0.0305173 -0.730022 0.5067183 -0.0029744 0.1867511 -0.0486847 0.1374861 -0.0030904 0.016091 0.0054935 0.2076653 0.0406645 0.0307011 0.5464553 -0.4965261 0.1505825 0.0129921 -0.0068039 0.0003876 0.1553564 -0.056635 -0.0013014 -0.0547817 0.1124906 0.151212 -0.0022344 -0.0124031 -0.002324 0.1052278 -0.0125571 -0.0006585 -0.0079471 0.1491722 0.0249258 -0.0510817 -0.3716634 -0.0370447 0.0468193 -0.6057961 -0.0241707 -0.0317305 -0.7407687 0.0481999 -0.0761478 0.0692573 -0.0783171 0.0424824 0.1566385 -0.0187098 -0.0134812 -0.0902313 -0.0383183 0.0560131 0.0797899 0.0624445 0.0818632 0.1730958 0.0124956 0.0105118 -0.0457355 0.0862519 0.0498483 0.0996462 0.0519823 -0.0606502 0.1225036 0.0026008 0.0092012 -0.0382283 0.3175113 0.0866496 -0.0580016 0.068632 2.3301991 -0.6543437 -0.0445047 -0.6216163 2.2736229 -0.2679314 -0.0243506 0.0285873 -0.0189435 -0.825667 0.1919716 0.0155077 0.1096378 -1.4175879 -0.2689814 -0.0484381 0.0170335 -0.0384494 -1.4971542 0.1725909 0.0123348 0.2383225 -0.7811238 0.3186458 0.098147 0.0131018 0.0861627 2.281309 0.6552093 0.0039351 0.6283725 2.3243519 -0.2695408 -0.0518881 -0.0026261 -0.053794 -1.4767267 -0.1984509 -0.0039874 -0.2666412 -0.7974576 -0.2679276 -0.0308986 0.001309 -0.0236817 -0.8166234 -0.1685207 0.0117125 -0.0905136 -1.429215 109.0154532|-12.0256685|456.2220751|-0.6920503|-0.9810471|650.1346602 -0.000007184 -0.000003531 -0.000005328 0.000000831 0.000001089 -0.000000262 -0.000001395 0.000000111 0.000002728 0.000001129 0.000005433 0.000004463 -0.000000180 -0.000004948 -0.000010517 -0.000007046 -0.000007945 -0.000013056 0.000000285 0.000002213 0.000002695 -0.000002052 0.000017277 0.000020021 -0.000003293 0.000002807 0.000000766 -0.000002916 0.000001596 -0.000000579 0.000003627 0.000001944 0.000007152 -0.000000533 -0.000001344 0.000000137 -0.000001647 -0.000002362 -0.000007405 0.000003715 -0.000000743 0.000002032 0.000001160 -0.000001290 0.000002398 -0.000001909 0.000000155 0.000003408 -0.000002563 -0.000005408 -0.000004392 0.000004334 -0.000003925 -0.000003590 0.000002954 -0.000000854 0.000001199 0.000001315 -0.000002567 -0.000001940 0.000003227 -0.000000182 0.000000175 0.000003325 -0.000000876 0.000002388 0.000000592 0.000001488 0.000003211 0.000000257 0.000009888 -0.000009036 0.000002890 -0.000000780 0.000000170 0.000001276 0.000009027 -0.000009339 0.000000660 -0.000016585 0.000021334 -0.000001490 0.000000849 0.000001767 0.000002878 -0.000000804 0.000002812 0.000004150 -0.000003572 0.000001418 0.000001838 -0.000001685 0.000000019 0.000002337 -0.000002555 0.000000452 0.000002458 -0.000002100 -0.000000969 -0.000002076 0.000012306 -0.000009752 -0.000000031 -0.000001695 0.000002108 0.000004190 0.000000673 0.000005627 -0.000005341 -0.000007970 -0.000014039 -0.000001778 0.000001356 0.000001920 -0.000007994 0.000005512 -0.000000196 332.22499999999985 AuxInfo=1/0/N:30,14,16,12,13,6,24,4,22,5,26,18,11,8,27,2,21,3,23,1,37,34,38,39,35,36/E:(2,3)(4,5)(6,7)(8,9)(10,11)(14,15)(16,17)(18,19)(21,22)(23,24,25,26)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,23.1,24.1,25.1,26.1/rA:39nC3C3C3C3C3C3HC3HHC3C3C3C3HC3HC3HHC3C3C3C3HC3C3HHCHHHNO1O1NO1O1/rB:s1;s2;s2;s3;s4;s4;s5s6;s5;s6;s1;s11;s11;s12;s12;s13;s13;s14s16;s14;s16;s1;s21;s3s21;s22;s22;s23;s24s26;s26;s24;s18;s30;s30;s30;s27;s34;s34;s8;s37;s37;/rC:-.0153,-.0238,1.0174;.0016,-1.1808,.1226;.0003,-.7159,-1.2212;-.1016,-2.5479,.3987;-.0395,-1.5957,-2.2821;-.1256,-3.4524,-.6683;-.1881,-2.9224,1.4108;-.0862,-2.9642,-1.9696;-.0481,-1.2724,-3.3153;-.1897,-4.5187,-.4954;-.0194,-.0518,2.4342;-.7007,.9509,3.1888;.6641,-1.0815,3.1483;-.7087,.9059,4.5663;-1.2928,1.6984,2.6751;.6834,-1.0844,4.5276;1.2484,-1.8138,2.6045;-.0054,-.0993,5.2669;-1.27,1.649,5.1239;1.2438,-1.8499,5.0548;-.0207,1.1677,.1691;.0747,2.5233,.5;.0052,.7561,-1.1919;.1161,3.4688,-.5303;.142,2.8589,1.5272;.0642,1.6767,-2.2165;.1024,3.032,-1.8502;.0936,1.3938,-3.2611;.1741,4.5276,-.3151;.0284,-.0966,6.7644;.7771,.6292,7.1123;-.9343,.2127,7.1834;.3011,-1.0747,7.1684;.1569,4.045,-2.9282;.1631,3.6367,-4.0874;.1902,5.2276,-2.5978;-.1218,-3.9343,-3.0871;-.1801,-5.1281,-2.804;-.088,-3.482,-4.2293;