Gaussian 16 GINC-GM-HPC2-COMP003 AF0193O@STAFF.GRE-AD.GRE.AC.UK Title Card Required ES64L-G16RevB.01 23-Feb-2024 Gaussian 16 20-Dec-2017 ES64L-G16RevB.01 111 111 C1[X(C14H17ClNO5Rh)] C1[X(C14H17ClNO5Rh)] RwB97XD Gen FOpt #p opt freq wb97xd/gen scrf=(smd,solvent=1,4-dioxane) pseudo=read 400.51199999999983 0 1 AuxInfo=1/1/N:24,28,3,2,33,1,21,23,22,32,20;6,7,8,10,12;36,18,19,17;16;5/E:(1,2);(1,2,3,4,5);;;/CRV:3.3,4.2,5.3,6.3,7.3,9.1;1.3,2.3,3.3,4.3,5.3;2.3,4-1;;/rA:39C3C3C3HRhCCCHCHCHHHClOC3OOC3O1NCHHHCHHHOC3HHCHHH/rB:s1;s2;;s2;s5;s5s6;s5s6;s6;s5s7;s7;s5s8s10;s8;s10;s12;s5;s5;s17;s4s18;s1;s20;s21;s21;s23;s24;s24;s24;s23;s28;s28;s28;s1;s3s32;s33;s3;s18;s36;s36;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /opt/software/eb/software/Gaussian/16.A.03-AVX2/g16/l1.exe "/scratch/af0193o/gaussian/219027/Gau-32290.inp" -scrdir="/scratch/af0193o/gaussian/219027/" chk=c3ab-cmdb-irc-fm-opt.chk CPU= 0,2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,5 mem=50GB #p opt freq wb97xd/gen scrf=(smd,solvent=1,4-dioxane) pseudo=read 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=7,11=2,16=1,17=8,25=1,30=1,70=32201,71=1,72=31,74=-58/1,2,3 4//1 5/5=2,38=5,53=31/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=7,6=1,11=2,16=1,17=8,25=1,30=1,70=32205,71=1,72=31,74=-58,82=7/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=31/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Title Card Required 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 1 103 12 12 12 1 12 1 12 1 1 1 35 16 12 16 16 12 16 14 12 1 1 1 12 1 1 1 16 12 1 1 12 1 1 1 12.0000000 12.0000000 12.0000000 1.0078250 102.9048000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 34.9688527 15.9949146 12.0000000 15.9949146 15.9949146 12.0000000 15.9949146 14.0030740 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 15.9949146 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 1 1 0 0 0 1 0 1 0 1 1 1 3 0 0 0 0 0 0 2 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /opt/software/eb/software/Gaussian/16.A.03-AVX2/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 1 1 2 2 3 3 4 5 5 5 5 5 5 5 6 6 6 7 7 8 8 10 10 12 17 18 18 20 21 21 23 23 24 24 24 28 28 28 32 33 36 36 36 2 20 32 3 5 33 35 19 6 7 8 10 12 16 17 7 8 9 10 11 12 13 12 14 15 18 19 36 21 22 23 24 28 25 26 27 29 30 31 33 34 37 38 39 1.3644 1.3501 1.3543 1.4544 2.041 1.3562 1.0816 0.9807 2.272 2.2708 2.1764 2.1443 2.1594 2.4009 2.166 1.3968 1.4477 1.082 1.4488 1.0803 1.4264 1.0812 1.424 1.0807 1.0805 1.233 1.3121 1.4914 1.3721 1.2178 1.3471 1.449 1.4517 1.0889 1.0972 1.0941 1.086 1.0959 1.0953 1.3521 1.0791 1.094 1.0912 1.0892 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 2 2 20 1 1 3 2 2 33 2 2 2 2 2 2 2 6 6 6 6 7 7 7 7 8 8 8 10 10 12 12 16 5 7 7 8 5 6 6 10 5 6 6 12 5 7 7 12 5 8 8 10 5 17 17 19 4 1 20 20 22 21 21 24 23 23 23 25 25 26 23 23 23 29 29 30 1 3 3 32 18 18 18 37 37 38 1 1 1 2 2 2 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 10 10 10 10 12 12 12 12 17 18 18 18 19 20 21 21 21 23 23 23 24 24 24 24 24 24 28 28 28 28 28 28 32 33 33 33 36 36 36 36 36 36 20 32 32 3 5 5 33 35 35 6 7 8 10 12 16 17 10 12 16 17 8 12 16 17 10 16 17 16 17 16 17 17 9 8 9 9 11 10 11 11 13 12 13 13 14 12 14 14 15 10 15 15 18 19 36 36 18 21 22 23 23 24 28 28 25 26 27 26 27 27 29 30 31 30 31 31 33 32 34 34 37 38 39 38 39 39 133.6756 113.0949 113.1473 102.5385 132.3775 124.9491 107.913 126.8743 125.2103 141.8883 152.4587 104.5775 114.8811 91.352 94.7732 91.2244 62.5851 62.8854 123.1335 94.7037 62.6981 63.2359 93.8153 115.4213 64.4709 156.1717 106.6752 94.9464 153.5871 129.1427 144.0067 86.3508 122.7396 108.9405 125.7368 125.147 122.7918 107.5999 126.5399 125.6384 125.2278 107.2174 125.9365 126.5767 121.5883 108.0251 125.8945 125.9939 120.8092 107.9243 126.6122 125.3324 130.1683 124.0158 121.5089 114.4743 108.553 116.7928 122.5042 111.564 125.8528 118.1073 124.4492 116.1534 109.7424 110.8845 109.2074 109.0503 109.1656 108.7619 110.5358 109.7174 109.8663 109.4398 108.3721 108.8759 106.4732 109.9792 133.7519 116.2652 106.5278 110.9422 110.3844 108.5291 109.2547 111.0665 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 20 20 32 32 2 32 2 20 1 1 5 5 1 1 1 1 1 1 1 3 3 3 3 3 3 3 2 2 35 35 2 10 12 16 17 2 8 12 16 17 2 7 10 16 17 2 6 8 16 17 2 6 7 16 17 2 6 7 8 10 12 16 8 8 9 9 7 7 9 9 6 6 11 11 6 6 13 13 7 7 14 14 5 5 17 36 17 17 17 19 19 19 1 1 20 20 22 22 21 21 21 28 28 28 21 21 21 24 24 24 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 10 10 10 10 17 17 18 18 18 18 18 18 18 18 20 20 21 21 21 21 23 23 23 23 23 23 23 23 23 23 23 23 32 32 2 2 2 2 20 20 32 32 3 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 33 33 33 33 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 10 10 10 10 10 12 12 12 12 12 17 17 17 17 17 17 17 7 7 7 7 8 8 8 8 10 10 10 10 12 12 12 12 12 12 12 12 18 18 19 19 36 36 36 36 36 36 21 21 23 23 23 23 24 24 24 24 24 24 28 28 28 28 28 28 33 33 3 5 3 5 21 21 33 33 33 35 33 35 6 7 8 10 12 16 17 6 7 8 10 12 16 17 32 34 32 34 9 9 9 9 9 11 11 11 11 11 13 13 13 13 13 14 14 14 14 14 15 15 15 15 15 18 18 18 18 18 18 18 10 11 10 11 12 13 12 13 12 14 12 14 10 15 10 15 8 15 8 15 19 36 4 4 37 38 39 37 38 39 22 23 24 28 24 28 25 26 27 25 26 27 29 30 31 29 30 31 3 34 -176.742 7.45 -0.3516 -176.1597 -80.9873 102.6237 0.3822 177.5436 0.1901 -179.2572 176.4128 -3.0345 166.2522 -127.1323 174.6219 -117.1093 -148.8668 -19.4025 67.0372 -8.7537 57.8618 -0.3839 67.8849 36.1273 165.5916 -107.9687 0.0274 179.2731 179.4863 -1.268 -105.053 158.8212 -157.4768 81.6808 -7.0266 133.0456 -159.1187 157.5412 25.0923 -62.6765 -48.1596 158.1016 -159.1102 168.5504 47.6341 63.9027 -158.6648 158.8337 -33.6944 -125.4498 10.1057 160.8117 -158.8382 -87.1633 104.0543 37.8409 -104.4763 -134.9597 -67.7758 -133.6794 -56.1491 132.5465 0.7046 175.5123 -174.6677 0.14 2.686 177.0276 178.0922 -7.5663 -3.8544 179.3712 -178.7215 4.504 -5.0515 178.9526 -179.3463 4.6578 5.5239 -178.4157 -177.7057 -1.6454 -0.8463 178.7743 -16.1503 164.2051 97.2055 -144.8579 -21.2988 -83.14 34.7966 158.3556 -11.5856 171.4718 -177.9067 -11.4067 5.2746 171.7746 -25.6143 94.9231 -145.244 166.7697 -72.6928 47.14 5.8654 126.6485 -113.6875 172.6036 -66.6133 53.0507 -0.2388 -179.6312 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Berny optimization. local minimum Step number 3 out of a maximum of 234 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00236 0.00584 0.00684 0.00921 0.01041 0.01102 0.01411 0.01871 0.01935 0.02045 0.02110 0.02135 0.02363 0.02392 0.02418 0.02588 0.02796 0.02871 0.02996 0.03066 0.03260 0.03311 0.03396 0.03483 0.03571 0.03645 0.03794 0.03843 0.04011 0.04652 0.05014 0.05067 0.05984 0.07010 0.07264 0.07510 0.07557 0.07628 0.07692 0.07910 0.07961 0.10321 0.11350 0.12024 0.12077 0.12857 0.13427 0.15848 0.15999 0.15999 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16008 0.16071 0.16223 0.17382 0.19316 0.19330 0.22674 0.23848 0.24340 0.24616 0.24762 0.24970 0.24994 0.24998 0.25000 0.25000 0.30561 0.31875 0.32040 0.33298 0.33988 0.34034 0.34141 0.34316 0.34343 0.34622 0.34696 0.34909 0.35018 0.35140 0.35288 0.35757 0.35806 0.35854 0.35908 0.35930 0.35961 0.36106 0.37361 0.37876 0.38360 0.38602 0.40396 0.47024 0.50704 0.51224 0.51949 0.53674 0.54165 0.55763 0.56701 0.64179 0.90913 0.96798 -4.16559742e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 2.57825 2.55131 2.55927 2.74842 3.85705 2.56279 2.04390 1.85323 4.29332 4.29107 4.11272 4.05215 4.08057 4.53717 4.09308 2.63955 2.73574 2.04465 2.73771 2.04154 2.69541 2.04311 2.69088 2.04224 2.04193 2.33010 2.47957 2.81826 2.59286 2.30123 2.54573 2.73816 2.74340 2.05763 2.07342 2.06754 2.05224 2.07097 2.06983 2.55502 2.03914 2.06745 2.06205 2.05838 2.33311 1.97387 1.97477 1.78962 2.31035 2.18086 1.88346 2.21441 2.18528 2.47647 2.66093 1.82526 2.00505 1.59441 1.65415 1.59217 1.09233 1.09757 2.14898 1.65289 1.09432 1.10370 1.63725 2.01448 1.12526 2.72560 1.86183 1.65700 2.68061 2.25387 2.51341 1.50718 2.14227 1.90136 2.19451 2.18425 2.14318 1.87799 2.20852 2.19281 2.18564 1.87128 2.19801 2.20919 2.12216 1.88539 2.19730 2.19899 2.10856 1.88365 2.20981 2.18745 2.27188 2.16449 2.12071 1.99797 1.89461 2.03841 2.13804 1.94715 2.19660 2.06136 2.17202 2.02727 1.91539 1.93529 1.90602 1.90328 1.90529 1.89826 1.92916 1.91494 1.91754 1.91009 1.89149 1.90023 1.85833 1.91947 2.33442 2.02923 1.85921 1.93631 1.92660 1.89420 1.90685 1.93849 -3.08465 0.13002 -0.00620 -3.07472 -1.41377 1.79100 0.00673 3.09866 0.00337 -3.12865 3.07910 -0.05292 2.90167 -2.21875 3.04774 -2.04389 -2.59819 -0.33870 1.17003 -0.15285 1.00991 -0.00679 1.18477 0.63047 2.88996 -1.88449 0.00046 3.12889 3.13268 -0.02207 -1.83355 2.77193 -2.74852 1.42566 -0.12266 2.32198 -2.77712 2.74962 0.43799 -1.09388 -0.84055 2.75940 -2.77699 2.94177 0.83137 1.11523 -2.76925 2.77215 -0.58815 -2.18950 0.17635 2.80671 -2.77223 -1.52138 1.81609 0.66057 -1.82338 -2.35543 -1.18282 -2.33310 -0.97989 2.31355 0.01220 3.06330 -3.04861 0.00248 0.04695 3.08976 3.10835 -0.13201 -0.06719 3.13069 -3.11932 0.07856 -0.08818 3.12324 -3.13018 0.08124 0.09637 -3.11393 -3.10158 -0.02869 -0.01482 3.12027 -0.28187 2.86581 1.69632 -2.52850 -0.37195 -1.45119 0.60717 2.76372 -0.20206 2.99319 -3.10512 -0.19927 0.09230 2.99816 -0.44719 1.65659 -2.53512 2.91066 -1.26875 0.82272 0.10213 2.21018 -1.98448 3.01215 -1.16299 0.92553 -0.00419 -3.13518 -0.00002 -0.00001 -0.00000 -0.00001 -0.00002 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00002 0.00000 0.00000 0.00002 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 -0.00004 0.00001 0.00003 0.00001 -0.00003 0.00002 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -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 -0.00003 -0.00001 0.00001 0.00001 -0.00000 -0.00001 0.00002 -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 -0.00001 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 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00003 0.00001 0.00001 -0.00002 -0.00002 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00002 -0.00000 -0.00000 0.00001 -0.00002 -0.00005 -0.00004 -0.00002 -0.00004 0.00003 -0.00001 -0.00001 -0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00002 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00002 0.00002 0.00001 0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00002 -0.00000 0.00000 0.00000 -0.00003 0.00000 0.00001 0.00001 -0.00004 0.00000 0.00001 -0.00003 -0.00000 -0.00004 0.00000 -0.00003 0.00000 0.00002 0.00002 -0.00000 -0.00000 0.00001 0.00002 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00002 -0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00002 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00002 -0.00003 -0.00006 -0.00003 0.00002 -0.00000 0.00002 -0.00000 0.00003 0.00000 -0.00008 -0.00005 -0.00008 -0.00007 -0.00007 -0.00010 -0.00008 -0.00009 -0.00006 -0.00009 -0.00008 -0.00009 -0.00011 -0.00009 -0.00001 -0.00001 0.00001 0.00002 -0.00001 -0.00001 -0.00001 0.00002 -0.00001 -0.00003 0.00001 0.00000 0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00002 -0.00001 -0.00001 -0.00002 0.00000 -0.00000 0.00000 0.00000 -0.00002 -0.00000 -0.00005 -0.00007 -0.00007 -0.00006 -0.00007 -0.00006 -0.00004 -0.00003 0.00001 -0.00002 0.00001 0.00002 0.00001 0.00002 0.00001 0.00002 0.00002 -0.00001 -0.00001 -0.00000 -0.00002 0.00000 -0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00003 0.00002 0.00001 -0.00004 -0.00007 -0.00008 -0.00007 -0.00003 -0.00003 -0.00002 0.00005 0.00014 -0.00002 -0.00005 0.00007 0.00004 -0.00004 -0.00004 -0.00004 -0.00001 -0.00001 -0.00001 -0.00007 -0.00007 -0.00007 -0.00010 -0.00010 -0.00011 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00002 0.00000 0.00000 0.00000 -0.00003 -0.00004 -0.00002 -0.00003 -0.00004 0.00004 -0.00002 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 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 -0.00005 0.00001 0.00004 0.00001 -0.00007 0.00007 -0.00001 0.00001 0.00000 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 -0.00002 0.00001 0.00001 -0.00003 0.00000 0.00001 0.00001 -0.00003 0.00001 0.00001 -0.00003 0.00000 -0.00003 0.00002 -0.00002 0.00001 0.00001 0.00001 -0.00000 -0.00000 0.00001 0.00002 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00003 -0.00002 0.00000 0.00001 -0.00001 0.00000 0.00003 -0.00000 -0.00000 -0.00001 -0.00002 0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00002 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00005 0.00005 0.00004 0.00004 0.00004 0.00005 -0.00003 -0.00004 -0.00003 -0.00001 -0.00004 -0.00002 0.00014 0.00020 0.00015 0.00017 0.00016 0.00014 0.00015 0.00015 0.00020 0.00016 0.00018 0.00016 0.00015 0.00016 0.00002 0.00003 -0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00004 0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00003 -0.00000 -0.00000 -0.00002 0.00001 -0.00001 -0.00000 0.00000 -0.00002 -0.00003 -0.00025 -0.00027 -0.00027 -0.00026 -0.00028 -0.00024 -0.00024 0.00000 0.00002 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00002 0.00001 0.00000 -0.00001 -0.00001 0.00002 -0.00000 0.00000 -0.00002 -0.00001 0.00000 -0.00001 0.00001 -0.00002 -0.00002 -0.00001 -0.00002 -0.00008 -0.00008 -0.00007 -0.00008 -0.00008 -0.00007 0.00000 -0.00045 0.00024 0.00015 -0.00023 -0.00032 -0.00007 -0.00006 -0.00006 0.00002 0.00002 0.00002 -0.00003 -0.00002 -0.00002 -0.00012 -0.00011 -0.00011 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00005 -0.00008 -0.00006 -0.00005 -0.00008 0.00008 -0.00003 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00003 -0.00000 0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00004 0.00001 0.00003 0.00000 -0.00009 0.00009 -0.00001 0.00002 -0.00001 0.00003 0.00002 0.00003 0.00001 0.00001 0.00002 -0.00002 0.00002 0.00002 -0.00006 0.00001 0.00002 0.00002 -0.00007 0.00001 0.00002 -0.00006 0.00000 -0.00007 0.00002 -0.00005 0.00001 0.00003 0.00003 -0.00000 -0.00001 0.00001 0.00003 0.00001 -0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000 0.00002 -0.00000 0.00001 -0.00001 0.00002 0.00000 0.00000 -0.00000 -0.00003 -0.00002 -0.00000 0.00002 -0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00003 0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00002 0.00001 -0.00001 0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00003 0.00001 0.00001 0.00000 -0.00000 0.00001 0.00005 0.00004 0.00001 0.00001 -0.00002 0.00001 -0.00001 -0.00004 -0.00001 -0.00001 -0.00002 -0.00002 0.00006 0.00015 0.00007 0.00010 0.00008 0.00004 0.00007 0.00006 0.00014 0.00007 0.00010 0.00008 0.00004 0.00007 0.00001 0.00002 0.00001 0.00002 0.00000 -0.00001 -0.00001 0.00003 -0.00002 -0.00007 0.00001 0.00000 0.00002 0.00001 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00005 -0.00001 -0.00001 -0.00004 0.00001 -0.00002 0.00000 0.00001 -0.00005 -0.00003 -0.00030 -0.00033 -0.00034 -0.00032 -0.00035 -0.00030 -0.00028 -0.00002 0.00003 -0.00004 0.00001 0.00001 0.00001 0.00002 0.00003 0.00003 0.00002 -0.00002 -0.00003 0.00001 -0.00002 0.00000 -0.00003 -0.00003 0.00001 -0.00002 0.00002 -0.00005 -0.00000 -0.00001 -0.00005 -0.00015 -0.00016 -0.00014 -0.00011 -0.00011 -0.00009 0.00006 -0.00031 0.00022 0.00010 -0.00016 -0.00028 -0.00011 -0.00010 -0.00010 0.00001 0.00002 0.00002 -0.00010 -0.00009 -0.00009 -0.00022 -0.00022 -0.00021 -0.00000 -0.00001 2.57824 2.55131 2.55927 2.74842 3.85705 2.56280 2.04390 1.85324 4.29327 4.29099 4.11266 4.05210 4.08049 4.53724 4.09305 2.63954 2.73574 2.04465 2.73771 2.04154 2.69542 2.04311 2.69087 2.04223 2.04193 2.33011 2.47956 2.81826 2.59283 2.30123 2.54574 2.73817 2.74341 2.05763 2.07342 2.06754 2.05223 2.07097 2.06983 2.55502 2.03914 2.06745 2.06205 2.05839 2.33306 1.97388 1.97480 1.78962 2.31026 2.18095 1.88345 2.21442 2.18527 2.47650 2.66095 1.82528 2.00506 1.59442 1.65418 1.59214 1.09235 1.09759 2.14893 1.65290 1.09433 1.10371 1.63718 2.01449 1.12527 2.72554 1.86183 1.65694 2.68063 2.25382 2.51342 1.50721 2.14231 1.90136 2.19450 2.18426 2.14321 1.87800 2.20851 2.19282 2.18565 1.87128 2.19801 2.20919 2.12218 1.88538 2.19731 2.19899 2.10858 1.88365 2.20981 2.18744 2.27185 2.16447 2.12071 1.99799 1.89460 2.03840 2.13805 1.94715 2.19661 2.06135 2.17199 2.02728 1.91539 1.93529 1.90602 1.90328 1.90529 1.89826 1.92915 1.91495 1.91753 1.91010 1.89150 1.90023 1.85832 1.91948 2.33442 2.02923 1.85918 1.93632 1.92661 1.89421 1.90685 1.93849 -3.08459 0.13007 -0.00619 -3.07471 -1.41379 1.79101 0.00672 3.09862 0.00335 -3.12867 3.07909 -0.05294 2.90174 -2.21860 3.04781 -2.04379 -2.59810 -0.33866 1.17010 -0.15279 1.01006 -0.00672 1.18487 0.63055 2.89000 -1.88442 0.00047 3.12891 3.13269 -0.02205 -1.83355 2.77191 -2.74853 1.42569 -0.12267 2.32191 -2.77712 2.74962 0.43801 -1.09387 -0.84055 2.75940 -2.77699 2.94178 0.83136 1.11519 -2.76925 2.77214 -0.58819 -2.18949 0.17634 2.80671 -2.77223 -1.52142 1.81606 0.66027 -1.82371 -2.35577 -1.18314 -2.33345 -0.98019 2.31327 0.01218 3.06333 -3.04865 0.00250 0.04695 3.08978 3.10837 -0.13199 -0.06716 3.13071 -3.11934 0.07854 -0.08817 3.12322 -3.13018 0.08121 0.09634 -3.11392 -3.10160 -0.02868 -0.01487 3.12027 -0.28188 2.86576 1.69617 -2.52866 -0.37209 -1.45130 0.60706 2.76363 -0.20200 2.99287 -3.10490 -0.19917 0.09214 2.99787 -0.44730 1.65649 -2.53522 2.91067 -1.26874 0.82274 0.10204 2.21008 -1.98458 3.01193 -1.16321 0.92532 -0.00419 -3.13519 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000036 0.000007 0.001721 0.000381 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.074500e-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 R43 R44 1 1 1 2 2 3 3 4 5 5 5 5 5 5 5 6 6 6 7 7 8 8 10 10 12 17 18 18 20 21 21 23 23 24 24 24 28 28 28 32 33 36 36 36 2 20 32 3 5 33 35 19 6 7 8 10 12 16 17 7 8 9 10 11 12 13 12 14 15 18 19 36 21 22 23 24 28 25 26 27 29 30 31 33 34 37 38 39 1.3644 1.3501 1.3543 1.4544 2.0411 1.3562 1.0816 0.9807 2.2719 2.2707 2.1764 2.1443 2.1593 2.401 2.166 1.3968 1.4477 1.082 1.4487 1.0803 1.4264 1.0812 1.424 1.0807 1.0805 1.233 1.3121 1.4914 1.3721 1.2178 1.3471 1.449 1.4517 1.0889 1.0972 1.0941 1.086 1.0959 1.0953 1.3521 1.0791 1.094 1.0912 1.0893 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 2 2 20 1 1 3 2 2 33 2 2 2 2 2 2 2 6 6 6 6 7 7 7 7 8 8 8 10 10 12 12 16 5 7 7 8 5 6 6 10 5 6 6 12 5 7 7 12 5 8 8 10 5 17 17 19 4 1 20 20 22 21 21 24 23 23 23 25 25 26 23 23 23 29 29 30 1 3 3 32 18 18 18 37 37 38 1 1 1 2 2 2 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 10 10 10 10 12 12 12 12 17 18 18 18 19 20 21 21 21 23 23 23 24 24 24 24 24 24 28 28 28 28 28 28 32 33 33 33 36 36 36 36 36 36 20 32 32 3 5 5 33 35 35 6 7 8 10 12 16 17 10 12 16 17 8 12 16 17 10 16 17 16 17 16 17 17 9 8 9 9 11 10 11 11 13 12 13 13 14 12 14 14 15 10 15 15 18 19 36 36 18 21 22 23 23 24 28 28 25 26 27 26 27 27 29 30 31 30 31 31 33 32 34 34 37 38 39 38 39 39 133.6771 113.0944 113.1458 102.5378 132.3733 124.9543 107.9142 126.8761 125.2073 141.891 152.4598 104.5795 114.8809 91.3529 94.7761 91.2244 62.5859 62.8864 123.1276 94.7037 62.6998 63.2372 93.8075 115.4211 64.4725 156.1654 106.6748 94.9393 153.5876 129.1371 144.0076 86.355 122.7432 108.9402 125.7359 125.1483 122.7951 107.6009 126.5389 125.639 125.228 107.2166 125.9367 126.5772 121.5908 108.0246 125.8959 125.993 120.8116 107.9252 126.6126 125.3314 130.169 124.0159 121.5077 114.4755 108.5531 116.7921 122.5009 111.5635 125.8558 118.1072 124.4475 116.1539 109.7435 110.8837 109.2071 109.0501 109.1654 108.7622 110.5328 109.7178 109.8667 109.4402 108.3746 108.875 106.4747 109.9776 133.7525 116.2662 106.5249 110.9422 110.3861 108.5297 109.2545 111.0671 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 20 20 32 32 2 32 2 20 1 1 5 5 1 1 1 1 1 1 1 3 3 3 3 3 3 3 2 2 35 35 2 10 12 16 17 2 8 12 16 17 2 7 10 16 17 2 6 8 16 17 2 6 7 16 17 2 6 7 8 10 12 16 8 8 9 9 7 7 9 9 6 6 11 11 6 6 13 13 7 7 14 14 5 5 17 36 17 17 17 19 19 19 1 1 20 20 22 22 21 21 21 28 28 28 21 21 21 24 24 24 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 10 10 10 10 17 17 18 18 18 18 18 18 18 18 20 20 21 21 21 21 23 23 23 23 23 23 23 23 23 23 23 23 32 2 2 2 2 20 20 32 32 3 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 33 33 33 33 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 10 10 10 10 10 12 12 12 12 12 17 17 17 17 17 17 17 7 7 7 7 8 8 8 8 10 10 10 10 12 12 12 12 12 12 12 12 18 18 19 19 36 36 36 36 36 36 21 21 23 23 23 23 24 24 24 24 24 24 28 28 28 28 28 28 33 3 5 3 5 21 21 33 33 33 35 33 35 6 7 8 10 12 16 17 6 7 8 10 12 16 17 32 34 32 34 9 9 9 9 9 11 11 11 11 11 13 13 13 13 13 14 14 14 14 14 15 15 15 15 15 18 18 18 18 18 18 18 10 11 10 11 12 13 12 13 12 14 12 14 10 15 10 15 8 15 8 15 19 36 4 4 37 38 39 37 38 39 22 23 24 28 24 28 25 26 27 25 26 27 29 30 31 29 30 31 3 -176.7372 7.4499 -0.3555 -176.1685 -81.003 102.6167 0.3857 177.5404 0.193 -179.2587 176.4196 -3.0321 166.2536 -127.1248 174.6225 -117.1062 -148.8651 -19.406 67.0379 -8.7578 57.8638 -0.3889 67.8824 36.1235 165.5826 -107.9735 0.0264 179.2723 179.4896 -1.2645 -105.0549 158.8196 -157.4784 81.6843 -7.0277 133.0396 -159.1175 157.5415 25.0948 -62.6749 -48.1601 158.1017 -159.1099 168.5512 47.6342 63.8982 -158.6662 158.8323 -33.6987 -125.4492 10.1044 160.8125 -158.8372 -87.1684 104.0544 37.8481 -104.4719 -134.9562 -67.7706 -133.6769 -56.1435 132.5567 0.6993 175.5142 -174.6727 0.1422 2.6898 177.0304 178.0955 -7.5639 -3.8496 179.3754 -178.7237 4.5012 -5.0523 178.9487 -179.3461 4.6548 5.5215 -178.4149 -177.7075 -1.6439 -0.8491 178.7785 -16.15 164.1988 97.1919 -144.8725 -21.3114 -83.1472 34.7884 158.3494 -11.5772 171.4969 -177.9105 -11.4172 5.2884 171.7818 -25.622 94.9154 -145.2519 166.7684 -72.6941 47.1385 5.8518 126.6339 -113.7025 172.5834 -66.6345 53.0291 -0.2401 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 (5D, 7F) 5 sdd 1 2 3 6 7 8 10 12 18 21 24 28 33 36 4 9 11 13 14 15 25 26 27 29 30 31 34 35 37 38 39 17 19 20 22 32 23 16 6-31G(d,p) 1 6 No pseudopotential on this center. 2 6 No pseudopotential on this center. 3 6 No pseudopotential on this center. 4 1 No pseudopotential on this center. 5 45 17 G and up 2 1.0000000 0.00000000 0.00000000 S - G 2 2 11.7200000 5.8200000 225.34775400 32.82318900 0.00000000 0.00000000 P - G 2 2 10.4200000 5.4500000 158.70941200 26.44410000 0.00000000 0.00000000 D - G 2 2 8.8200000 3.8700000 62.75862600 10.97871900 0.00000000 0.00000000 F - G 2 2 12.3100000 6.1600000 -30.09345600 -5.21848200 0.00000000 0.00000000 6 6 No pseudopotential on this center. 7 6 No pseudopotential on this center. 8 6 No pseudopotential on this center. 9 1 No pseudopotential on this center. 10 6 No pseudopotential on this center. 11 1 No pseudopotential on this center. 12 6 No pseudopotential on this center. 13 1 No pseudopotential on this center. 14 1 No pseudopotential on this center. 15 1 No pseudopotential on this center. 16 17 No pseudopotential on this center. 17 8 No pseudopotential on this center. 18 6 No pseudopotential on this center. 19 8 No pseudopotential on this center. 20 8 No pseudopotential on this center. 21 6 No pseudopotential on this center. 22 8 No pseudopotential on this center. 23 7 No pseudopotential on this center. 24 6 No pseudopotential on this center. 25 1 No pseudopotential on this center. 26 1 No pseudopotential on this center. 27 1 No pseudopotential on this center. 28 6 No pseudopotential on this center. 29 1 No pseudopotential on this center. 30 1 No pseudopotential on this center. 31 1 No pseudopotential on this center. 32 8 No pseudopotential on this center. 33 6 No pseudopotential on this center. 34 1 No pseudopotential on this center. 35 1 No pseudopotential on this center. 36 6 No pseudopotential on this center. 37 1 No pseudopotential on this center. 38 1 No pseudopotential on this center. 39 1 No pseudopotential on this center. 0.10000e-02 0.10000e-05 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 39 39 39 1.00e+00 60 F Grimme-D2 -0.0364347628 PCM SMD-Coulomb. Total charges None On-the-fly selection 1,4-Dioxane 2.209900 2.023222 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 400.51199999999983 AuxInfo=1/1/N:24,28,3,2,33,1,21,23,22,32,20;6,7,8,10,12;36,18,19,17;16;5/E:(1,2);(1,2,3,4,5);;;/CRV:3.3,4.2,5.3,6.3,7.3,9.1;1.3,2.3,3.3,4.3,5.3;2.3,4-1;;/rA:39C3C3C3HRhCCCHCHCHHHClOC3OOC3O1NCHHHCHHHOC3HHCHHH/rB:s1;s2;;s2;s5;s5s6;s5s6;s6;s5s7;s7;s5s8s10;s8;s10;s12;s5;s5;s17;s4s18;s1;s20;s21;s21;s23;s24;s24;s24;s23;s28;s28;s28;s1;s3s32;s33;s3;s18;s36;s36;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.364350 0.000000 2.199603 1.454388 0.000000 2.674731 2.064748 2.279700 0.000000 3.127462 2.041021 3.111581 2.819286 0.000000 5.317254 4.077331 4.670669 4.188109 2.271961 0.000000 5.304491 4.188263 5.008097 4.870653 2.270823 1.396804 0.000000 4.689200 3.337465 3.541992 3.507483 2.176426 1.447703 2.315089 0.000000 5.967809 4.788436 5.388504 4.484791 2.998565 1.081979 2.210689 2.251662 0.000000 4.637698 3.528003 4.209540 4.722595 2.144343 2.296454 1.448751 2.304857 3.343435 0.000000 5.943484 4.965262 5.935432 5.650562 2.996849 2.217002 1.080343 3.361250 2.671985 2.256090 0.000000 4.297748 3.006132 3.237370 3.978642 2.159417 2.313602 2.324502 1.426351 3.355924 1.423976 3.365458 0.000000 4.980977 3.651792 3.503156 3.333037 2.936055 2.258757 3.354269 1.081170 2.707607 3.352080 4.367142 2.245287 0.000000 4.846002 3.938920 4.667486 5.452374 2.862498 3.338240 2.258915 3.349342 4.351695 1.080706 2.712720 2.237064 4.364432 0.000000 4.185616 2.986528 2.825731 4.166569 2.867204 3.362944 3.367311 2.245092 4.373094 2.230467 4.373287 1.080547 2.715969 2.684136 0.000000 3.489896 3.278050 4.703154 4.417592 2.400902 4.109644 3.412702 4.478963 4.661018 3.354156 3.423060 4.119823 5.325717 3.378798 4.694382 0.000000 3.611589 3.007684 4.028923 2.331932 2.165980 3.265018 3.751120 3.483343 3.286046 4.196331 4.165622 4.113776 3.784548 4.942676 4.795252 3.129508 0.000000 3.760324 3.323337 4.037946 1.871448 3.107601 4.121778 4.828889 4.075141 4.035335 5.183745 5.330865 4.830724 4.060525 5.966889 5.363879 4.191606 1.233019 0.000000 3.434509 2.981217 3.237818 0.980678 3.411783 4.509818 5.320695 4.026700 4.577037 5.400597 6.016698 4.724268 3.759163 6.190262 5.023757 4.867831 2.247715 1.312143 0.000000 1.350088 2.495647 3.544279 3.618625 3.713938 5.976068 5.769632 5.619746 6.562968 5.225270 6.198349 5.210441 6.041622 5.283345 5.228517 3.146709 3.909777 4.163434 4.170882 0.000000 2.318523 3.250830 4.350011 3.657405 4.088961 6.210988 6.131741 6.053652 6.591495 5.894978 6.448761 5.929557 6.418041 6.088293 6.126143 3.359961 3.536067 3.629529 3.891142 1.372128 0.000000 2.650625 3.341097 4.257571 3.013071 4.150488 6.074124 6.263818 5.880416 6.308281 6.177731 6.654831 6.023031 6.069689 6.564964 6.264397 3.977886 3.072415 2.787095 2.994541 2.271887 1.217763 0.000000 3.483959 4.416878 5.602951 4.944612 4.969695 7.030646 6.767336 7.064940 7.377050 6.604771 6.891771 6.875521 7.539420 6.659150 7.132874 3.588248 4.404177 4.638730 5.110222 2.248603 1.347122 2.284591 0.000000 4.706780 5.522427 6.702500 5.627643 5.827597 7.669860 7.501136 7.869429 7.829648 7.576541 7.513949 7.881176 8.296482 7.721871 8.254129 4.446204 4.779701 4.884150 5.548011 3.597669 2.398640 2.760354 1.448972 0.000000 4.758618 5.553783 6.598631 5.285898 5.979910 7.757934 7.783732 7.879210 7.837246 7.901479 7.889349 8.037856 8.171280 8.171488 8.395940 5.000458 4.642846 4.475510 5.059569 3.846707 2.505119 2.377418 2.085908 1.088856 0.000000 5.151388 5.747190 7.032985 5.820677 5.659412 7.292550 7.077146 7.689038 7.366663 7.331584 6.958161 7.774178 8.184884 7.500235 8.277602 4.133883 4.533035 4.808322 5.691961 4.114521 2.965870 3.259549 2.106390 1.097207 1.780271 0.000000 5.502865 6.435187 7.585331 6.641677 6.826154 8.705767 8.462108 8.903425 8.886896 8.487380 8.428037 8.839398 9.349893 8.543987 9.169123 5.274888 5.869291 5.964498 6.580500 4.292844 3.235401 3.701219 2.083187 1.094095 1.779007 1.781326 0.000000 4.011772 4.929426 6.161261 5.921764 5.379456 7.452895 6.923036 7.535736 7.920543 6.627515 6.941483 7.105418 8.155545 6.448196 7.321228 3.536474 5.298153 5.764446 6.241756 2.685073 2.476858 3.612453 1.451738 2.461998 3.373978 2.846849 2.632608 0.000000 3.452004 4.356522 5.533163 5.672055 4.950339 7.092214 6.493307 7.048186 7.690004 5.997144 6.600952 6.449689 7.697114 5.723271 6.561304 3.230635 5.282040 5.818133 6.152163 2.221239 2.598706 3.814029 2.095959 3.384814 4.174381 3.761105 3.666227 1.085998 0.000000 4.784006 5.835738 6.971119 6.797115 6.442664 8.541667 8.007373 8.584558 9.008719 7.666185 8.016361 8.120468 9.176026 7.434531 8.269560 4.619668 6.309473 6.677349 7.093539 3.439454 3.215744 4.292740 2.093341 2.782633 3.673280 3.341715 2.512070 1.095906 1.781180 0.000000 4.677176 5.376500 6.719119 6.352950 5.418744 7.305631 6.663848 7.591453 7.718552 6.524883 6.516392 7.194107 8.301649 6.315222 7.540745 3.267694 5.332676 5.962106 6.628662 3.439089 3.146747 4.180917 2.094750 2.684507 3.719962 2.638472 2.861375 1.095314 1.768881 1.782527 0.000000 1.354303 2.268295 2.218167 3.168882 4.274866 6.329356 6.430062 5.475353 6.988200 5.639503 7.158216 5.063056 5.568975 5.830268 4.700501 4.829640 4.698397 4.578369 3.910126 2.257071 3.157912 3.323259 4.305594 5.497800 5.412788 6.121015 6.179950 4.851827 4.271959 5.417165 5.681392 0.000000 2.168101 2.273270 1.356172 2.948271 4.244882 5.986944 6.262366 4.895559 6.672385 5.409634 7.134933 4.531630 4.807055 5.722311 4.009522 5.406978 4.881351 4.701287 3.784710 3.403524 4.262722 4.211118 5.498859 6.638224 6.480288 7.167293 7.402787 6.070157 5.442501 6.710769 6.813016 1.352054 0.000000 3.168035 3.343789 2.242228 3.773735 5.279745 6.899136 7.232697 5.712723 7.572352 6.333937 8.140747 5.357343 5.494091 6.627876 4.709210 6.475560 5.864694 5.563044 4.515561 4.301510 5.131637 5.026449 6.343262 7.458450 7.235280 8.066721 8.162943 6.916411 6.284743 7.458195 7.728292 2.069709 1.079069 0.000000 3.253435 2.274408 1.081589 2.677702 3.371410 4.412484 4.917537 3.088183 5.126795 4.138655 5.936086 2.903942 2.840230 4.715747 2.396523 5.326781 4.409797 4.413594 3.554127 4.584351 5.338188 5.153075 6.595042 7.643905 7.509420 7.899028 8.566773 7.154849 6.518175 8.001970 7.643678 3.256299 2.168066 2.728063 0.000000 4.963372 4.743051 5.429256 3.187806 4.493262 5.262824 5.999597 5.406395 4.931975 6.537010 6.344203 6.267304 5.322886 7.316005 6.842302 5.198105 2.380467 1.491367 2.359515 5.127982 4.251775 3.232384 5.029029 4.840511 4.221215 4.691408 5.863981 6.302544 6.589188 7.112793 6.443124 5.693795 5.932190 6.708301 5.812308 0.000000 4.813148 4.899567 5.645603 3.522564 4.948190 6.061516 6.645965 6.151855 5.837846 7.061944 6.952665 6.845771 6.125259 7.734085 7.341329 5.270238 2.910255 2.085527 2.780595 4.760307 3.693857 2.616090 4.356699 4.019076 3.267829 4.010720 4.983615 5.723050 6.123770 6.422699 5.945605 5.474037 5.927154 6.674331 6.196051 1.094040 0.000000 5.596872 5.319042 5.755062 3.480890 5.193316 5.742709 6.655766 5.758630 5.334855 7.186960 7.082686 6.744461 5.472431 8.036417 7.264688 6.181939 3.205526 2.139673 2.519226 5.917740 5.102539 3.988031 5.962697 5.766541 5.036260 5.693223 6.751760 7.279748 7.536572 8.054185 7.484222 6.145153 6.218220 6.871600 6.012720 1.091192 1.773802 0.000000 5.637089 5.335848 6.164168 3.987682 4.687639 5.171048 5.849464 5.600138 4.687164 6.598522 6.028455 6.514333 5.630624 7.377751 7.223266 5.185692 2.544344 2.131266 3.250338 5.684879 4.767220 3.906216 5.344927 5.006815 4.509595 4.619476 6.016420 6.521200 6.878802 7.363884 6.479501 6.518287 6.787877 7.627826 6.506992 1.089248 1.780264 1.797674 0.000000 C14H17ClNO5Rh C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 400.51199999999983 AuxInfo=1/1/N:24,28,3,2,33,1,21,23,22,32,20;6,7,8,10,12;36,18,19,17;16;5/E:(1,2);(1,2,3,4,5);;;/CRV:3.3,4.2,5.3,6.3,7.3,9.1;1.3,2.3,3.3,4.3,5.3;2.3,4-1;;/rA:39C3C3C3HRhCCCHCHCHHHClOC3OOC3O1NCHHHCHHHOC3HHCHHH/rB:s1;s2;;s2;s5;s5s6;s5s6;s6;s5s7;s7;s5s8s10;s8;s10;s12;s5;s5;s17;s4s18;s1;s20;s21;s21;s23;s24;s24;s24;s23;s28;s28;s28;s1;s3s32;s33;s3;s18;s36;s36;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3413653 0.2000572 0.1915496 -101.60827 -19.33004 -19.32095 -19.30993 -19.29193 -19.23185 -14.47241 -10.45089 -10.43808 -10.38567 -10.34181 -10.34068 -10.33825 -10.33591 -10.33590 -10.33011 -10.31092 -10.30732 -10.29852 -10.28728 -10.28479 -9.49067 -7.23580 -7.23076 -7.23054 -3.37263 -2.13741 -2.10807 -2.10553 -1.23685 -1.22688 -1.19368 -1.13435 -1.11034 -1.03563 -1.01923 -0.88973 -0.85905 -0.84716 -0.84567 -0.83583 -0.81299 -0.80661 -0.78665 -0.71330 -0.70151 -0.68648 -0.66336 -0.66061 -0.64722 -0.62520 -0.61550 -0.61326 -0.58875 -0.57984 -0.57442 -0.56588 -0.55594 -0.53615 -0.52403 -0.52150 -0.51241 -0.51107 -0.50657 -0.49613 -0.48864 -0.48729 -0.48668 -0.48204 -0.47614 -0.47518 -0.47387 -0.47148 -0.45914 -0.44818 -0.42766 -0.42582 -0.42031 -0.39487 -0.39064 -0.38655 -0.37815 -0.37074 -0.35424 -0.34877 -0.33955 -0.31768 -0.31262 -0.30618 -0.28845 -0.27790 -0.00206 0.03007 0.05401 0.07278 0.08615 0.08783 0.09512 0.10862 0.11406 0.11723 0.13823 0.15494 0.17670 0.18518 0.19390 0.20282 0.20982 0.21584 0.22072 0.22330 0.23450 0.24058 0.24608 0.24892 0.25812 0.26187 0.26533 0.26874 0.27301 0.27761 0.28245 0.28443 0.28732 0.29029 0.29849 0.30096 0.30497 0.30982 0.31704 0.32367 0.33579 0.34567 0.35369 0.36221 0.37756 0.39027 0.39649 0.40777 0.41402 0.41983 0.43734 0.46966 0.48276 0.49600 0.50939 0.52000 0.54199 0.54331 0.55987 0.56070 0.58503 0.59970 0.60800 0.61152 0.61929 0.62833 0.64489 0.64757 0.64942 0.66558 0.66799 0.67432 0.68586 0.69280 0.69342 0.70511 0.71262 0.71615 0.72705 0.72862 0.73017 0.74234 0.75377 0.75591 0.77418 0.77997 0.78964 0.79619 0.80719 0.81279 0.82882 0.83706 0.85234 0.85352 0.86353 0.86615 0.87661 0.88644 0.89510 0.90168 0.91127 0.91196 0.91481 0.92311 0.92464 0.92954 0.93820 0.94053 0.95210 0.96458 0.96620 0.97123 0.98088 0.98443 0.99398 1.00935 1.01192 1.01401 1.02271 1.03037 1.03662 1.04629 1.05345 1.05938 1.06714 1.07297 1.07891 1.08958 1.09389 1.09960 1.10271 1.11501 1.12220 1.13278 1.14092 1.15445 1.16396 1.17823 1.18980 1.21140 1.22837 1.25304 1.25926 1.27725 1.28605 1.29374 1.30991 1.31945 1.33605 1.34846 1.35960 1.36981 1.37274 1.39180 1.39532 1.40635 1.41194 1.42017 1.43367 1.44069 1.45206 1.46952 1.47724 1.49246 1.50453 1.51249 1.53476 1.54594 1.55231 1.56803 1.57842 1.58405 1.59703 1.61007 1.62421 1.64308 1.66851 1.68060 1.70775 1.71778 1.73037 1.74773 1.75486 1.77873 1.79843 1.80313 1.83359 1.84195 1.85606 1.86580 1.87856 1.88710 1.90242 1.90860 1.92933 1.93223 1.94164 1.94839 1.95648 1.95850 1.97897 1.99332 2.00027 2.01037 2.02512 2.03405 2.04377 2.05434 2.06853 2.06953 2.08489 2.09762 2.10200 2.10973 2.11453 2.12265 2.13618 2.13842 2.14324 2.15348 2.15680 2.15836 2.16575 2.17324 2.17836 2.19651 2.20152 2.20392 2.21886 2.22390 2.22808 2.25314 2.26530 2.27308 2.28869 2.31340 2.32135 2.33978 2.35529 2.37289 2.39095 2.40846 2.43040 2.45145 2.46474 2.48902 2.49524 2.50025 2.50260 2.52048 2.52537 2.52886 2.53293 2.53686 2.54273 2.55811 2.56444 2.57383 2.58439 2.58931 2.59479 2.61668 2.62564 2.63270 2.65629 2.66036 2.67271 2.67959 2.68620 2.69782 2.73219 2.73792 2.76064 2.78084 2.79263 2.79482 2.79818 2.80237 2.81487 2.81886 2.83204 2.84734 2.86190 2.87080 2.88219 2.89450 2.89838 2.93505 2.94976 2.96603 2.98637 2.99933 3.01643 3.02151 3.04074 3.05940 3.09032 3.10807 3.16085 3.16717 3.20189 3.23894 3.25434 3.26234 3.28627 3.32835 3.34467 3.34664 3.35548 3.37394 3.37686 3.38705 3.42305 3.47350 3.51225 3.52344 3.53703 3.54892 3.55662 3.60959 3.78733 3.84720 3.87830 3.88605 37.53052 37.85643 38.18330 49.64443 1-A. -4.0316 1.5307 2.5722 5.0212 -121.8635 -146.8425 -135.7590 -8.4114 1.7442 -3.1469 12.9581 -12.0208 -0.9373 -8.4114 1.7442 -3.1469 -4.8594 20.7924 52.5015 -29.1111 -47.9097 4.7314 -16.1905 -3.6959 -11.6391 4.7187 -4346.6761 -1984.4785 -1697.1592 -129.1384 -28.6031 32.8285 -91.2007 33.8159 40.6673 -1033.0811 -1004.1520 -647.8167 12.2217 -5.4371 12.4443 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 400.51199999999983 AuxInfo=1/1/N:24,28,3,2,33,1,21,23,22,32,20;6,7,8,10,12;36,18,19,17;16;5/E:(1,2);(1,2,3,4,5);;;/CRV:3.3,4.2,5.3,6.3,7.3,9.1;1.3,2.3,3.3,4.3,5.3;2.3,4-1;;/rA:39C3C3C3HRhCCCHCHCHHHClOC3OOC3O1NCHHHCHHHOC3HHCHHH/rB:s1;s2;;s2;s5;s5s6;s5s6;s6;s5s7;s7;s5s8s10;s8;s10;s12;s5;s5;s17;s4s18;s1;s20;s21;s21;s23;s24;s24;s24;s23;s28;s28;s28;s1;s3s32;s33;s3;s18;s36;s36;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.364353 0.000000 2.199606 1.454401 0.000000 2.674952 2.064880 2.279902 0.000000 3.127454 2.041061 3.111700 2.819315 0.000000 5.317246 4.077370 4.670865 4.188063 2.271928 0.000000 5.304385 4.188229 5.008188 4.870585 2.270738 1.396790 0.000000 4.689205 3.337483 3.542189 3.507394 2.176355 1.447691 2.315063 0.000000 5.967855 4.788526 5.388763 4.484791 2.998578 1.081980 2.210668 2.251665 0.000000 4.637643 3.527999 4.209618 4.722586 2.144303 2.296444 1.448735 2.304849 3.343424 0.000000 5.943383 4.965248 5.935525 5.650524 2.996802 2.216975 1.080338 3.361217 2.671940 2.256077 0.000000 4.297733 3.006127 3.237490 3.978597 2.159342 2.313580 2.324461 1.426350 3.355911 1.423952 3.365416 0.000000 4.981009 3.651811 3.503381 3.332904 2.935988 2.258747 3.354243 1.081169 2.707616 3.352070 4.367108 2.245289 0.000000 4.845941 3.938914 4.667509 5.452398 2.862491 3.338234 2.258913 3.349329 4.351687 1.080705 2.712731 2.237032 4.364415 0.000000 4.185655 2.986545 2.825835 4.166566 2.867161 3.362923 3.367266 2.245093 4.373087 2.230433 4.373240 1.080545 2.715979 2.684081 0.000000 3.489992 3.278203 4.703307 4.417874 2.400965 4.109557 3.412471 4.478905 4.660982 3.353987 3.422808 4.119720 5.325698 3.378624 4.694326 0.000000 3.611566 3.007702 4.029048 2.331935 2.165965 3.264984 3.751029 3.483266 3.286080 4.196283 4.165560 4.113702 3.784466 4.942656 4.795208 3.129666 0.000000 3.760409 3.323406 4.038113 1.871445 3.107611 4.121727 4.828802 4.075054 4.035337 5.183714 5.330805 4.830664 4.060414 5.966892 5.363857 4.191853 1.233037 0.000000 3.434718 2.981342 3.238040 0.980689 3.411805 4.509758 5.320612 4.026609 4.577019 5.400578 6.016639 4.724223 3.759032 6.190278 5.023758 4.868112 2.247722 1.312131 0.000000 1.350095 2.495670 3.544289 3.618865 3.713910 5.976007 5.769464 5.619709 6.562958 5.225170 6.198178 5.210389 6.041619 5.283247 5.228530 3.146776 3.909742 4.163538 4.171118 0.000000 2.318482 3.250914 4.350034 3.657670 4.089135 6.211136 6.131807 6.053760 6.591707 5.895077 6.448853 5.929642 6.418144 6.088400 6.126246 3.360356 3.536246 3.629777 3.891425 1.372083 0.000000 2.650493 3.341116 4.257519 3.013283 4.150702 6.074359 6.263973 5.880555 6.308614 6.177868 6.655038 6.023118 6.069805 6.565098 6.264464 3.978362 3.072732 2.787460 2.994830 2.271807 1.217759 0.000000 3.483970 4.417110 5.603051 4.944971 4.970161 7.031109 6.767758 7.065308 7.377574 6.605191 6.892252 6.875867 7.539743 6.659586 7.133193 3.589017 4.404612 4.639137 5.110584 2.248575 1.347142 2.284635 0.000000 4.706788 5.522710 6.702638 5.628020 5.828230 7.670562 7.501819 7.869966 7.830437 7.577166 7.514737 7.881675 8.296944 7.722513 8.254562 4.447176 4.780339 4.884680 5.548399 3.597639 2.398657 2.760434 1.448974 0.000000 4.758604 5.554026 6.598724 5.286261 5.980518 7.758634 7.784392 7.879725 7.838062 7.902055 7.890118 8.038308 8.171723 8.172065 8.396313 5.001395 4.643547 4.476120 5.059980 3.846698 2.505176 2.377540 2.085921 1.088853 0.000000 5.151452 5.747577 7.033268 5.821082 5.660182 7.293418 7.078025 7.689734 7.367596 7.332405 6.959152 7.774855 8.185490 7.501083 8.278213 4.134952 4.533717 4.808823 5.692330 4.114468 2.965822 3.259601 2.106384 1.097208 1.780269 0.000000 5.502843 6.435427 7.585395 6.642039 6.826760 8.706457 8.462786 8.903933 8.887686 8.487982 8.428840 8.839859 9.350325 8.544608 9.169507 5.275841 5.869920 5.965037 6.580891 4.292821 3.235446 3.701308 2.083184 1.094095 1.779002 1.781330 0.000000 4.011821 4.929681 6.161393 5.922127 5.379894 7.453315 6.923428 7.536097 7.920997 6.627942 6.941921 7.105782 8.155868 6.448658 7.321586 3.537139 5.298492 5.764780 6.242099 2.685053 2.476862 3.612482 1.451744 2.462012 3.373995 2.846865 2.632608 0.000000 3.451990 4.356563 5.533171 5.672225 4.950323 7.092122 6.493138 7.048138 7.689926 5.997088 6.600768 6.449667 7.697084 5.723253 6.561363 3.230639 5.281946 5.818151 6.152305 2.221177 2.598629 3.813949 2.095927 3.384781 4.174370 3.760979 3.666263 1.085996 0.000000 4.783770 5.835730 6.970905 6.797322 6.442982 8.542031 8.007716 8.584768 9.009177 7.666460 8.016822 8.120620 9.176182 7.434822 8.269638 4.620312 6.309837 6.677698 7.093797 3.439232 3.215687 4.292714 2.093354 2.782820 3.673403 3.341977 2.512308 1.095908 1.781186 0.000000 4.677553 5.377192 6.719704 6.353609 5.419694 7.306577 6.664827 7.592346 7.719472 6.525936 6.517406 7.195057 8.302468 6.316344 7.541686 3.268869 5.333318 5.962646 6.629229 3.439278 3.146841 4.181057 2.094756 2.684377 3.719872 2.638380 2.861100 1.095307 1.768901 1.782514 0.000000 1.354307 2.268294 2.218148 3.169225 4.274891 6.329423 6.429991 5.475440 6.988345 5.639444 7.158138 5.063070 5.569122 5.830157 4.700550 4.829710 4.698472 4.578581 3.910494 2.257061 3.157801 3.323066 4.305397 5.497580 5.412555 6.120884 6.179656 4.851658 4.271872 5.416606 5.681526 0.000000 2.168127 2.273298 1.356171 2.948615 4.244982 5.987127 6.262411 4.895756 6.672650 5.409661 7.134973 4.531729 4.807316 5.722265 4.009623 5.407102 4.881505 4.701542 3.785089 3.403539 4.262677 4.210990 5.498774 6.638130 6.480161 7.167330 7.402600 6.070098 5.442459 6.710298 6.813339 1.352057 0.000000 3.168062 3.343817 2.242231 3.774093 5.279855 6.899360 7.232766 5.712968 7.572670 6.333972 8.140803 5.357467 5.494424 6.627817 4.709329 6.475671 5.864879 5.563341 4.515988 4.301519 5.131561 5.026290 6.343086 7.458242 7.235038 8.066658 8.162615 6.916257 6.284673 7.457576 7.728503 2.069722 1.079068 0.000000 3.253443 2.274436 1.081587 2.677848 3.371604 4.412817 4.917760 3.088521 5.127191 4.138826 5.936307 2.904159 2.840606 4.715835 2.396658 5.326976 4.410004 4.413803 3.554327 4.584372 5.338256 5.153087 6.595218 7.644148 7.509613 7.899450 8.566934 7.155051 6.518205 8.001823 7.644384 3.256269 2.168035 2.728024 0.000000 4.963371 4.743072 5.429400 3.187800 4.493252 5.262810 5.999516 5.406351 4.932028 6.536970 6.344134 6.267256 5.322843 7.315985 6.842289 5.198273 2.380464 1.491361 2.359516 5.127972 4.251876 3.232640 5.029252 4.840862 4.221717 4.691645 5.864385 6.302684 6.589052 7.113052 6.443336 5.693947 5.932415 6.708591 5.812527 0.000000 4.813003 4.899450 5.645612 3.522527 4.948044 6.061394 6.645743 6.151714 5.837810 7.061760 6.952452 6.845601 6.125147 7.733910 7.341201 5.270259 2.910127 2.085488 2.780618 4.760149 3.693775 2.616177 4.356678 4.019149 3.268113 4.010580 4.983786 5.722948 6.123464 6.422759 5.945467 5.474061 5.927250 6.674501 6.196135 1.094045 0.000000 5.596884 5.319093 5.755252 3.480874 5.193376 5.742823 6.655802 5.758705 5.335049 7.187017 7.082730 6.744514 5.472509 8.036478 7.264762 6.182140 3.205578 2.139669 2.519198 5.917729 5.102577 3.988158 5.962809 5.766712 5.036525 5.693307 6.751975 7.279819 7.536426 8.054325 7.484378 6.145325 6.218485 6.871943 6.013001 1.091192 1.773814 0.000000 5.637115 5.335910 6.164348 3.987696 4.687668 5.171049 5.849415 5.600108 4.687217 6.598517 6.028420 6.514309 5.630584 7.377774 7.223273 5.185884 2.544390 2.131284 3.250336 5.684890 4.767391 3.906574 5.345284 5.007387 4.510341 4.619948 6.017054 6.521446 6.878687 7.364322 6.479813 6.518448 6.788117 7.628122 6.507258 1.089250 1.780268 1.797683 0.000000 C14H17ClNO5Rh C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 400.51199999999983 AuxInfo=1/1/N:24,28,3,2,33,1,21,23,22,32,20;6,7,8,10,12;36,18,19,17;16;5/E:(1,2);(1,2,3,4,5);;;/CRV:3.3,4.2,5.3,6.3,7.3,9.1;1.3,2.3,3.3,4.3,5.3;2.3,4-1;;/rA:39C3C3C3HRhCCCHCHCHHHClOC3OOC3O1NCHHHCHHHOC3HHCHHH/rB:s1;s2;;s2;s5;s5s6;s5s6;s6;s5s7;s7;s5s8s10;s8;s10;s12;s5;s5;s17;s4s18;s1;s20;s21;s21;s23;s24;s24;s24;s23;s28;s28;s28;s1;s3s32;s33;s3;s18;s36;s36;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3413672 0.2000367 0.1915366 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 45. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 441 441 441 441 441 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. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 45. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 441 441 441 441 441 MxSgAt= 39 MxSgA2= 39. 1 -1.58614708e+00 6.02210271e-01 1.01199083e+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 1 45 6 6 6 1 6 1 6 1 1 1 17 8 6 8 8 6 8 7 6 1 1 1 6 1 1 1 8 6 1 1 6 1 1 1 0.000003141 -0.000003197 0.000006808 -0.000001565 0.000005152 -0.000000821 0.000006790 0.000001112 -0.000000577 0.000001205 0.000000801 -0.000005003 -0.000023453 0.000019142 0.000006977 0.000004274 0.000001311 -0.000005624 0.000010835 0.000010059 -0.000002124 0.000005400 -0.000002712 -0.000002123 -0.000004717 0.000002608 -0.000001795 0.000004184 0.000005055 0.000002658 -0.000005869 0.000004669 -0.000000466 0.000011098 -0.000007815 -0.000000726 0.000001525 0.000003628 -0.000002151 -0.000002185 0.000003781 -0.000001662 0.000000057 0.000002082 -0.000002329 -0.000008736 -0.000013128 -0.000005824 -0.000004575 -0.000007541 -0.000007980 0.000001808 0.000017960 0.000007486 0.000002744 -0.000004615 0.000003217 0.000010153 -0.000008334 0.000014576 -0.000013814 0.000003358 -0.000005394 -0.000002353 0.000000575 -0.000004648 0.000009707 -0.000005892 -0.000001608 -0.000003284 -0.000003676 0.000004044 -0.000000687 -0.000004687 0.000001953 -0.000003792 -0.000003274 0.000002458 -0.000002019 -0.000005035 0.000002685 -0.000004201 -0.000008266 -0.000000766 -0.000000916 -0.000001383 0.000003675 -0.000000410 -0.000004554 0.000001620 0.000001375 -0.000002082 0.000002405 0.000002630 -0.000002647 -0.000000905 0.000001845 0.000005303 -0.000003007 0.000005207 -0.000000414 -0.000000522 0.000004227 0.000004175 -0.000003668 -0.000003635 -0.000001526 -0.000000029 0.000000410 -0.000001763 -0.000001345 -0.000000341 0.000001368 -0.000000614 -0.000002062 0.000000402 0.000001149 0.000023453 0.000005759 (Enter /opt/software/eb/software/Gaussian/16.A.03-AVX2/g16/l716.exe) Closed 1 1 1 -1545.12368241520 -1545.12368302310 -0.000000607895 -1545.12368306169 -0.000000038594 -1545.12368306679 -0.000000005095 -1545.12368306857 -0.000000001789 -1545.12368306928 -0.000000000710 -1545.12368306947 -0.000000000183 -1545.12368306959 -0.000000000119 -1545.12368306963 -0.000000000043 -1545.12368306963 0.000000000001 -1545.12368307 10 1.467993472238e+03 -8.421636095557e+03 3.000524591087e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 6710886400 LenX= 6710474812 LenY= 6710278120 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /opt/software/eb/software/Gaussian/16.A.03-AVX2/g16/l716.exe) PT4989.400S 2024-02-23T21:08:36.000 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 H Rh C C C H C H C H H H Cl O C O O C O N C H H H C H H H O C H H C H H H 0.506775 -0.133732 -0.255478 0.395349 0.021293 -0.110706 -0.109405 -0.206749 0.190588 -0.160133 0.198243 -0.113719 0.184458 0.202072 0.191621 -0.393217 -0.425749 0.642930 -0.474388 -0.522400 0.810269 -0.520639 -0.464871 -0.227600 0.160746 0.152561 0.135977 -0.220951 0.183440 0.131895 0.148445 -0.416047 0.103282 0.164594 0.139017 -0.456895 0.204014 0.169636 0.175475 -0.00000 -101.60827 -19.33004 -19.32096 -19.30993 -19.29194 -19.23184 -14.47241 -10.45090 -10.43808 -10.38567 -10.34181 -10.34068 -10.33824 -10.33591 -10.33590 -10.33011 -10.31092 -10.30732 -10.29852 -10.28728 -10.28479 -9.49067 -7.23580 -7.23076 -7.23053 -3.37263 -2.13741 -2.10808 -2.10553 -1.23685 -1.22689 -1.19368 -1.13435 -1.11033 -1.03563 -1.01924 -0.88972 -0.85906 -0.84717 -0.84568 -0.83584 -0.81299 -0.80661 -0.78664 -0.71331 -0.70151 -0.68648 -0.66336 -0.66061 -0.64723 -0.62520 -0.61550 -0.61326 -0.58875 -0.57984 -0.57442 -0.56588 -0.55595 -0.53615 -0.52403 -0.52150 -0.51242 -0.51107 -0.50658 -0.49614 -0.48864 -0.48730 -0.48669 -0.48204 -0.47614 -0.47519 -0.47387 -0.47147 -0.45913 -0.44818 -0.42766 -0.42582 -0.42031 -0.39487 -0.39064 -0.38656 -0.37815 -0.37074 -0.35424 -0.34877 -0.33955 -0.31768 -0.31262 -0.30618 -0.28846 -0.27790 -0.00206 0.03007 0.05401 0.07277 0.08615 0.08783 0.09513 0.10861 0.11407 0.11723 0.13823 0.15495 0.17670 0.18518 0.19390 0.20282 0.20981 0.21584 0.22072 0.22331 0.23450 0.24058 0.24608 0.24892 0.25811 0.26186 0.26532 0.26874 0.27301 0.27760 0.28245 0.28443 0.28732 0.29029 0.29848 0.30096 0.30498 0.30981 0.31704 0.32366 0.33578 0.34567 0.35369 0.36222 0.37755 0.39027 0.39651 0.40777 0.41402 0.41982 0.43735 0.46965 0.48276 0.49600 0.50938 0.51999 0.54198 0.54331 0.55987 0.56070 0.58505 0.59971 0.60802 0.61152 0.61930 0.62832 0.64489 0.64757 0.64941 0.66558 0.66798 0.67432 0.68587 0.69280 0.69341 0.70511 0.71261 0.71615 0.72705 0.72861 0.73016 0.74235 0.75377 0.75591 0.77419 0.77998 0.78963 0.79619 0.80717 0.81279 0.82881 0.83706 0.85233 0.85353 0.86353 0.86614 0.87662 0.88642 0.89510 0.90167 0.91126 0.91196 0.91480 0.92311 0.92465 0.92954 0.93819 0.94053 0.95209 0.96456 0.96619 0.97124 0.98087 0.98440 0.99394 1.00933 1.01192 1.01398 1.02271 1.03036 1.03660 1.04629 1.05345 1.05938 1.06714 1.07296 1.07889 1.08958 1.09390 1.09959 1.10271 1.11501 1.12217 1.13278 1.14090 1.15442 1.16394 1.17822 1.18977 1.21141 1.22837 1.25304 1.25927 1.27724 1.28602 1.29371 1.30991 1.31943 1.33603 1.34842 1.35960 1.36977 1.37273 1.39180 1.39530 1.40633 1.41195 1.42019 1.43364 1.44068 1.45202 1.46953 1.47722 1.49247 1.50451 1.51248 1.53475 1.54590 1.55229 1.56804 1.57842 1.58405 1.59704 1.61006 1.62419 1.64308 1.66849 1.68060 1.70776 1.71780 1.73039 1.74775 1.75487 1.77873 1.79839 1.80312 1.83357 1.84195 1.85606 1.86581 1.87856 1.88709 1.90241 1.90859 1.92933 1.93221 1.94164 1.94838 1.95648 1.95852 1.97898 1.99331 2.00029 2.01037 2.02514 2.03406 2.04379 2.05432 2.06853 2.06953 2.08490 2.09762 2.10200 2.10972 2.11453 2.12265 2.13617 2.13840 2.14323 2.15346 2.15678 2.15834 2.16574 2.17324 2.17835 2.19651 2.20152 2.20391 2.21884 2.22389 2.22807 2.25316 2.26530 2.27309 2.28869 2.31341 2.32138 2.33977 2.35527 2.37288 2.39095 2.40845 2.43037 2.45147 2.46475 2.48903 2.49524 2.50025 2.50260 2.52048 2.52537 2.52888 2.53292 2.53686 2.54272 2.55810 2.56441 2.57382 2.58439 2.58931 2.59479 2.61667 2.62563 2.63269 2.65627 2.66036 2.67270 2.67958 2.68620 2.69781 2.73218 2.73790 2.76064 2.78084 2.79263 2.79484 2.79818 2.80237 2.81486 2.81883 2.83203 2.84734 2.86191 2.87081 2.88219 2.89449 2.89838 2.93502 2.94976 2.96604 2.98634 2.99933 3.01643 3.02152 3.04075 3.05939 3.09032 3.10805 3.16083 3.16715 3.20186 3.23894 3.25432 3.26232 3.28627 3.32836 3.34469 3.34664 3.35548 3.37393 3.37687 3.38704 3.42307 3.47350 3.51226 3.52344 3.53703 3.54891 3.55660 3.60956 3.78726 3.84718 3.87832 3.88608 37.53054 37.85644 38.18331 49.64444 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 C C C H Rh C C C H C H C H H H Cl O C O O C O N C H H H C H H H O C H H C H H H 0.506790 -0.133730 -0.255493 0.395358 0.021298 -0.110680 -0.109416 -0.206763 0.190588 -0.160101 0.198245 -0.113725 0.184460 0.202075 0.191620 -0.393249 -0.425759 0.642913 -0.474379 -0.522377 0.810284 -0.520644 -0.464919 -0.227607 0.160749 0.152553 0.135984 -0.220949 0.183450 0.131902 0.148433 -0.416052 0.103287 0.164595 0.139013 -0.456892 0.204022 0.169635 0.175481 -0.00000 -1.58610176e+00 6.02547799e-01 1.01221189e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -4.0315 1.5315 2.5728 5.0217 -121.8572 -146.8448 -135.7573 -8.4123 1.7437 -3.1487 12.9625 -12.0250 -0.9375 -8.4123 1.7437 -3.1487 -4.8574 20.8066 52.5082 -29.1089 -47.9210 4.7313 -16.1940 -3.6931 -11.6407 4.7183 -4347.0142 -1984.4049 -1697.2217 -129.1452 -28.5617 32.8321 -91.2259 33.8656 40.6415 -1033.1364 -1004.2417 -647.8059 12.2216 -5.4366 12.4453 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1545.1236831 5.494E-9 7.108E-6 9.6373268,-8.940295,-0.6970318,-6.2543681,1.296386,-2.3409916 C01 [X(C14H17Cl1N1O5Rh1)] -1.5861016 0.6025483 1.0122119 -0.000005442 0.000004790 -0.000008121 0.000000149 0.000005950 0.000004348 0.000000978 -0.000004745 -0.000001216 0.000002890 -0.000000539 0.000001638 -0.000000720 0.000017002 0.000002467 0.000004108 0.000003256 0.000008110 -0.000001746 -0.000008144 -0.000001017 -0.000003610 0.000007162 0.000002453 -0.000001953 0.000004431 -0.000001998 0.000005148 -0.000001342 -0.000008909 -0.000003305 0.000001319 -0.000000757 0.000001749 0.000013060 -0.000010303 -0.000000251 0.000004830 -0.000002541 0.000000157 0.000002013 -0.000000788 0.000001772 0.000004903 -0.000001895 0.000000298 -0.000003534 -0.000001363 0.000004308 0.000011285 0.000003893 0.000001576 -0.000014908 -0.000007996 -0.000001214 0.000002990 -0.000011202 -0.000015768 -0.000010288 -0.000007291 0.000028545 0.000027843 -0.000013965 -0.000005885 -0.000017793 0.000021725 -0.000009514 -0.000009703 0.000012634 -0.000006131 -0.000007743 0.000002501 -0.000001503 -0.000001223 0.000002329 -0.000000752 -0.000003555 0.000003580 -0.000002399 -0.000004972 0.000002684 0.000000403 0.000001944 0.000001133 -0.000001862 -0.000006392 0.000000195 -0.000001619 -0.000004624 0.000001972 -0.000006675 -0.000006302 0.000003760 0.000010713 0.000001749 0.000002060 0.000006501 -0.000011262 0.000001218 0.000005876 -0.000000428 -0.000000528 0.000000699 0.000000459 -0.000000572 -0.000003062 0.000002709 0.000001700 -0.000000947 -0.000001815 0.000000839 0.000001281 0.000000051 -0.000000001 -0.000002794 0.000001567 -0.000000777 400.51199999999983 AuxInfo=1/1/N:24,28,3,2,33,1,21,23,22,32,20;6,7,8,10,12;36,18,19,17;16;5/E:(1,2);(1,2,3,4,5);;;/CRV:3.3,4.2,5.3,6.3,7.3,9.1;1.3,2.3,3.3,4.3,5.3;2.3,4-1;;/rA:39C3C3C3HRhCCCHCHCHHHClOC3OOC3O1NCHHHCHHHOC3HHCHHH/rB:s1;s2;;s2;s5;s5s6;s5s6;s6;s5s7;s7;s5s8s10;s8;s10;s12;s5;s5;s17;s4s18;s1;s20;s21;s21;s23;s24;s24;s24;s23;s28;s28;s28;s1;s3s32;s33;s3;s18;s36;s36;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-GM-HPC2-COMP003 AF0193O@STAFF.GRE-AD.GRE.AC.UK Title Card Required ES64L-G16RevB.01 111 C1[X(C14H17ClNO5Rh)] RwB97XD Gen Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RwB97XD/ChkBas 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 0 400.51199999999983 AuxInfo=1/1/N:24,28,3,2,33,1,21,23,22,32,20;6,7,8,10,12;36,18,19,17;16;5/E:(1,2);(1,2,3,4,5);;;/CRV:3.3,4.2,5.3,6.3,7.3,9.1;1.3,2.3,3.3,4.3,5.3;2.3,4-1;;/rA:39C3C3C3HRhCCCHCHCHHHClOC3OOC3O1NCHHHCHHHOC3HHCHHH/rB:s1;s2;;s2;s5;s5s6;s5s6;s6;s5s7;s7;s5s8s10;s8;s10;s12;s5;s5;s17;s4s18;s1;s20;s21;s21;s23;s24;s24;s24;s23;s28;s28;s28;s1;s3s32;s33;s3;s18;s36;s36;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Title Card Required Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 12 12 12 1 103 12 12 12 1 12 1 12 1 1 1 35 16 12 16 16 12 16 14 12 1 1 1 12 1 1 1 16 12 1 1 12 1 1 1 12.0000000 12.0000000 12.0000000 1.0078250 102.9048000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 34.9688527 15.9949146 12.0000000 15.9949146 15.9949146 12.0000000 15.9949146 14.0030740 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 15.9949146 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 1 1 0 0 0 1 0 1 0 1 1 1 3 0 0 0 0 0 0 2 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 3.6000000 3.6000000 3.6000000 1.0000000 229.5000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 14.2400000 5.6000000 3.6000000 5.6000000 5.6000000 3.6000000 5.6000000 4.5500000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 5.6000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 (Enter /opt/software/eb/software/Gaussian/16.A.03-AVX2/g16/l101.exe) Structure from the checkpoint file: "c3ab-cmdb-irc-fm-opt.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 1 1 2 2 3 3 4 5 5 5 5 5 5 5 6 6 6 7 7 8 8 10 10 12 17 18 18 20 21 21 23 23 24 24 24 28 28 28 32 33 36 36 36 2 20 32 3 5 33 35 19 6 7 8 10 12 16 17 7 8 9 10 11 12 13 12 14 15 18 19 36 21 22 23 24 28 25 26 27 29 30 31 33 34 37 38 39 1.3644 1.3501 1.3543 1.4544 2.0411 1.3562 1.0816 0.9807 2.2719 2.2707 2.1764 2.1443 2.1593 2.401 2.166 1.3968 1.4477 1.082 1.4487 1.0803 1.4264 1.0812 1.424 1.0807 1.0805 1.233 1.3121 1.4914 1.3721 1.2178 1.3471 1.449 1.4517 1.0889 1.0972 1.0941 1.086 1.0959 1.0953 1.3521 1.0791 1.094 1.0912 1.0893 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 2 2 20 1 1 3 2 2 33 2 2 2 2 2 2 2 6 6 6 6 7 7 7 7 8 8 8 10 10 12 12 16 5 7 7 8 5 6 6 10 5 6 6 12 5 7 7 12 5 8 8 10 5 17 17 19 4 1 20 20 22 21 21 24 23 23 23 25 25 26 23 23 23 29 29 30 1 3 3 32 18 18 18 37 37 38 1 1 1 2 2 2 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 10 10 10 10 12 12 12 12 17 18 18 18 19 20 21 21 21 23 23 23 24 24 24 24 24 24 28 28 28 28 28 28 32 33 33 33 36 36 36 36 36 36 20 32 32 3 5 5 33 35 35 6 7 8 10 12 16 17 10 12 16 17 8 12 16 17 10 16 17 16 17 16 17 17 9 8 9 9 11 10 11 11 13 12 13 13 14 12 14 14 15 10 15 15 18 19 36 36 18 21 22 23 23 24 28 28 25 26 27 26 27 27 29 30 31 30 31 31 33 32 34 34 37 38 39 38 39 39 133.6771 113.0944 113.1458 102.5378 132.3733 124.9543 107.9142 126.8761 125.2073 141.891 152.4598 104.5795 114.8809 91.3529 94.7761 91.2244 62.5859 62.8864 123.1276 94.7037 62.6998 63.2372 93.8075 115.4211 64.4725 156.1654 106.6748 94.9393 153.5876 129.1371 144.0076 86.355 122.7432 108.9402 125.7359 125.1483 122.7951 107.6009 126.5389 125.639 125.228 107.2166 125.9367 126.5772 121.5908 108.0246 125.8959 125.993 120.8116 107.9252 126.6126 125.3314 130.169 124.0159 121.5077 114.4755 108.5531 116.7921 122.5009 111.5635 125.8558 118.1072 124.4475 116.1539 109.7435 110.8837 109.2071 109.0501 109.1654 108.7622 110.5328 109.7178 109.8667 109.4402 108.3746 108.875 106.4747 109.9776 133.7525 116.2662 106.5249 110.9422 110.3861 108.5297 109.2545 111.0671 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 20 20 32 32 2 32 2 20 1 1 5 5 1 1 1 1 1 1 1 3 3 3 3 3 3 3 2 2 35 35 2 10 12 16 17 2 8 12 16 17 2 7 10 16 17 2 6 8 16 17 2 6 7 16 17 2 6 7 8 10 12 16 8 8 9 9 7 7 9 9 6 6 11 11 6 6 13 13 7 7 14 14 5 5 17 36 17 17 17 19 19 19 1 1 20 20 22 22 21 21 21 28 28 28 21 21 21 24 24 24 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 10 10 10 10 17 17 18 18 18 18 18 18 18 18 20 20 21 21 21 21 23 23 23 23 23 23 23 23 23 23 23 23 32 32 2 2 2 2 20 20 32 32 3 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 33 33 33 33 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 10 10 10 10 10 12 12 12 12 12 17 17 17 17 17 17 17 7 7 7 7 8 8 8 8 10 10 10 10 12 12 12 12 12 12 12 12 18 18 19 19 36 36 36 36 36 36 21 21 23 23 23 23 24 24 24 24 24 24 28 28 28 28 28 28 33 33 3 5 3 5 21 21 33 33 33 35 33 35 6 7 8 10 12 16 17 6 7 8 10 12 16 17 32 34 32 34 9 9 9 9 9 11 11 11 11 11 13 13 13 13 13 14 14 14 14 14 15 15 15 15 15 18 18 18 18 18 18 18 10 11 10 11 12 13 12 13 12 14 12 14 10 15 10 15 8 15 8 15 19 36 4 4 37 38 39 37 38 39 22 23 24 28 24 28 25 26 27 25 26 27 29 30 31 29 30 31 3 34 -176.7372 7.4499 -0.3555 -176.1685 -81.003 102.6167 0.3857 177.5404 0.193 -179.2587 176.4196 -3.0321 166.2536 -127.1248 174.6225 -117.1062 -148.8651 -19.406 67.0379 -8.7578 57.8638 -0.3889 67.8824 36.1235 165.5826 -107.9735 0.0264 179.2723 179.4896 -1.2645 -105.0549 158.8196 -157.4784 81.6843 -7.0277 133.0396 -159.1175 157.5415 25.0948 -62.6749 -48.1601 158.1017 -159.1099 168.5512 47.6342 63.8982 -158.6662 158.8323 -33.6987 -125.4492 10.1044 160.8125 -158.8372 -87.1684 104.0544 37.8481 -104.4719 -134.9562 -67.7706 -133.6769 -56.1435 132.5567 0.6993 175.5142 -174.6727 0.1422 2.6898 177.0304 178.0955 -7.5639 -3.8496 179.3754 -178.7237 4.5012 -5.0523 178.9487 -179.3461 4.6548 5.5215 -178.4149 -177.7075 -1.6439 -0.8491 178.7785 -16.15 164.1988 97.1919 -144.8725 -21.3114 -83.1472 34.7884 158.3494 -11.5772 171.4969 -177.9105 -11.4172 5.2884 171.7818 -25.622 94.9154 -145.2519 166.7684 -72.6941 47.1385 5.8518 126.6339 -113.7025 172.5834 -66.6345 53.0291 -0.2401 -179.6327 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00070 0.00080 0.00115 0.00135 0.00189 0.00459 0.00568 0.00633 0.01124 0.01221 0.01243 0.01275 0.01332 0.01492 0.01609 0.01629 0.01702 0.01939 0.01989 0.02037 0.02132 0.02166 0.02368 0.02424 0.02839 0.02973 0.03246 0.03395 0.03618 0.03825 0.04230 0.04372 0.04848 0.05119 0.05249 0.05352 0.05501 0.05775 0.06180 0.06264 0.06311 0.06391 0.06593 0.07435 0.08296 0.08373 0.09674 0.10173 0.10875 0.11179 0.12923 0.13279 0.13780 0.13867 0.14036 0.15743 0.16661 0.17167 0.17279 0.17551 0.17946 0.18053 0.18282 0.18547 0.20740 0.20980 0.21943 0.22325 0.24064 0.24287 0.24643 0.25426 0.27014 0.28206 0.28638 0.29508 0.32223 0.33019 0.33388 0.33520 0.33729 0.34062 0.34417 0.35065 0.35294 0.35559 0.36014 0.36040 0.36800 0.37696 0.37923 0.37978 0.38010 0.38193 0.38306 0.38333 0.38731 0.39333 0.40282 0.43091 0.44596 0.45008 0.46885 0.50169 0.55009 0.56052 0.58013 0.60351 0.68792 0.86848 0.88049 Angle between quadratic step and forces= 81.15 degrees. 1 2 0.00045018 0.00000011 0.00000009 0.00000001 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 2.57825 2.55131 2.55927 2.74842 3.85705 2.56279 2.04390 1.85323 4.29332 4.29107 4.11272 4.05215 4.08057 4.53717 4.09308 2.63955 2.73574 2.04465 2.73771 2.04154 2.69541 2.04311 2.69088 2.04224 2.04193 2.33010 2.47957 2.81826 2.59286 2.30123 2.54573 2.73816 2.74340 2.05763 2.07342 2.06754 2.05224 2.07097 2.06983 2.55502 2.03914 2.06745 2.06205 2.05838 2.33311 1.97387 1.97477 1.78962 2.31035 2.18086 1.88346 2.21441 2.18528 2.47647 2.66093 1.82526 2.00505 1.59441 1.65415 1.59217 1.09233 1.09757 2.14898 1.65289 1.09432 1.10370 1.63725 2.01448 1.12526 2.72560 1.86183 1.65700 2.68061 2.25387 2.51341 1.50718 2.14227 1.90136 2.19451 2.18425 2.14318 1.87799 2.20852 2.19281 2.18564 1.87128 2.19801 2.20919 2.12216 1.88539 2.19730 2.19899 2.10856 1.88365 2.20981 2.18745 2.27188 2.16449 2.12071 1.99797 1.89461 2.03841 2.13804 1.94715 2.19660 2.06136 2.17202 2.02727 1.91539 1.93529 1.90602 1.90328 1.90529 1.89826 1.92916 1.91494 1.91754 1.91009 1.89149 1.90023 1.85833 1.91947 2.33442 2.02923 1.85921 1.93631 1.92660 1.89420 1.90685 1.93849 -3.08465 0.13002 -0.00620 -3.07472 -1.41377 1.79100 0.00673 3.09866 0.00337 -3.12865 3.07910 -0.05292 2.90167 -2.21875 3.04774 -2.04389 -2.59819 -0.33870 1.17003 -0.15285 1.00991 -0.00679 1.18477 0.63047 2.88996 -1.88449 0.00046 3.12889 3.13268 -0.02207 -1.83355 2.77193 -2.74852 1.42566 -0.12266 2.32198 -2.77712 2.74962 0.43799 -1.09388 -0.84055 2.75940 -2.77699 2.94177 0.83137 1.11523 -2.76925 2.77215 -0.58815 -2.18950 0.17635 2.80671 -2.77223 -1.52138 1.81609 0.66057 -1.82338 -2.35543 -1.18282 -2.33310 -0.97989 2.31355 0.01220 3.06330 -3.04861 0.00248 0.04695 3.08976 3.10835 -0.13201 -0.06719 3.13069 -3.11932 0.07856 -0.08818 3.12324 -3.13018 0.08124 0.09637 -3.11393 -3.10158 -0.02869 -0.01482 3.12027 -0.28187 2.86581 1.69632 -2.52850 -0.37195 -1.45119 0.60717 2.76372 -0.20206 2.99319 -3.10512 -0.19927 0.09230 2.99816 -0.44719 1.65659 -2.53512 2.91066 -1.26875 0.82272 0.10213 2.21018 -1.98448 3.01215 -1.16299 0.92553 -0.00419 -3.13518 -0.00002 -0.00001 -0.00000 -0.00001 -0.00002 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00002 0.00000 0.00000 0.00002 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 -0.00004 0.00001 0.00003 0.00001 -0.00003 0.00002 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -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 -0.00003 -0.00001 0.00001 0.00001 -0.00000 -0.00001 0.00002 -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 -0.00001 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 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00003 0.00001 0.00001 -0.00002 -0.00002 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00002 -0.00003 0.00000 0.00000 -0.00001 -0.00006 -0.00010 0.00003 -0.00011 0.00000 0.00005 -0.00000 0.00001 0.00003 -0.00000 0.00004 0.00001 0.00000 0.00000 0.00003 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00003 0.00001 -0.00002 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00004 0.00001 0.00003 0.00001 -0.00005 0.00004 -0.00001 -0.00001 0.00002 0.00023 -0.00005 0.00020 -0.00012 0.00003 0.00005 -0.00001 0.00004 0.00002 -0.00028 0.00002 0.00002 0.00003 -0.00023 0.00011 0.00002 -0.00018 -0.00007 -0.00006 0.00014 0.00006 -0.00011 0.00004 0.00002 -0.00001 0.00001 0.00001 -0.00004 0.00001 -0.00000 -0.00001 0.00004 0.00001 0.00001 -0.00002 0.00001 -0.00001 -0.00001 0.00002 0.00003 -0.00000 -0.00001 0.00001 -0.00002 -0.00001 -0.00002 0.00003 -0.00001 0.00001 0.00005 0.00002 -0.00006 -0.00002 0.00001 0.00002 0.00000 0.00002 -0.00002 0.00000 -0.00001 -0.00000 0.00002 0.00003 -0.00004 0.00001 -0.00004 0.00002 -0.00003 0.00002 -0.00001 -0.00001 -0.00003 0.00005 -0.00002 0.00002 -0.00004 0.00001 -0.00002 0.00003 0.00005 0.00010 0.00008 0.00001 -0.00004 0.00001 -0.00004 0.00001 -0.00009 -0.00003 0.00001 0.00037 -0.00012 -0.00003 -0.00017 -0.00010 -0.00006 0.00007 0.00043 -0.00006 0.00003 -0.00011 -0.00004 -0.00000 0.00001 0.00004 -0.00004 -0.00001 -0.00025 0.00000 0.00001 -0.00014 -0.00018 -0.00062 -0.00001 -0.00000 -0.00021 -0.00015 -0.00019 -0.00000 0.00002 -0.00057 -0.00016 -0.00028 0.00002 0.00002 -0.00028 -0.00026 -0.00029 -0.00001 -0.00001 -0.00039 -0.00028 -0.00010 -0.00034 -0.00030 -0.00030 -0.00011 -0.00013 -0.00005 0.00004 -0.00001 0.00001 -0.00004 -0.00003 -0.00001 0.00000 0.00001 -0.00004 0.00000 0.00002 0.00005 0.00001 0.00001 -0.00001 -0.00000 0.00002 0.00001 -0.00002 -0.00003 0.00002 -0.00002 -0.00000 0.00003 -0.00084 -0.00080 -0.00077 -0.00087 -0.00083 -0.00080 -0.00005 -0.00033 0.00009 0.00016 -0.00021 -0.00013 -0.00037 -0.00035 -0.00035 -0.00044 -0.00042 -0.00042 -0.00041 -0.00037 -0.00035 -0.00034 -0.00030 -0.00028 0.00002 -0.00000 -0.00000 -0.00000 -0.00001 -0.00002 -0.00003 0.00000 0.00000 -0.00001 -0.00006 -0.00010 0.00003 -0.00011 0.00000 0.00005 -0.00000 0.00001 0.00003 -0.00000 0.00004 0.00001 0.00000 0.00000 0.00003 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00003 0.00001 -0.00002 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00004 0.00001 0.00003 0.00001 -0.00005 0.00004 -0.00001 -0.00001 0.00002 0.00023 -0.00005 0.00020 -0.00012 0.00003 0.00005 -0.00001 0.00004 0.00002 -0.00028 0.00002 0.00002 0.00003 -0.00023 0.00011 0.00002 -0.00018 -0.00007 -0.00006 0.00014 0.00006 -0.00011 0.00004 0.00002 -0.00001 0.00001 0.00001 -0.00004 0.00001 -0.00000 -0.00001 0.00004 0.00001 0.00001 -0.00002 0.00001 -0.00001 -0.00001 0.00002 0.00003 -0.00000 -0.00001 0.00001 -0.00002 -0.00001 -0.00002 0.00003 -0.00001 0.00001 0.00005 0.00002 -0.00006 -0.00002 0.00001 0.00002 0.00000 0.00002 -0.00002 0.00000 -0.00001 -0.00000 0.00002 0.00003 -0.00004 0.00001 -0.00004 0.00002 -0.00003 0.00002 -0.00001 -0.00001 -0.00003 0.00005 -0.00002 0.00002 -0.00004 0.00001 -0.00002 0.00003 0.00005 0.00010 0.00008 0.00001 -0.00004 0.00001 -0.00004 0.00001 -0.00009 -0.00003 0.00001 0.00037 -0.00012 -0.00003 -0.00017 -0.00010 -0.00006 0.00007 0.00043 -0.00006 0.00003 -0.00011 -0.00004 -0.00000 0.00001 0.00004 -0.00004 -0.00001 -0.00025 0.00000 0.00001 -0.00014 -0.00018 -0.00062 -0.00001 -0.00000 -0.00021 -0.00015 -0.00019 -0.00000 0.00002 -0.00057 -0.00016 -0.00028 0.00002 0.00002 -0.00028 -0.00026 -0.00029 -0.00001 -0.00001 -0.00039 -0.00028 -0.00010 -0.00034 -0.00030 -0.00030 -0.00011 -0.00013 -0.00005 0.00004 -0.00001 0.00001 -0.00004 -0.00003 -0.00001 0.00000 0.00001 -0.00004 0.00000 0.00002 0.00005 0.00001 0.00001 -0.00001 -0.00000 0.00002 0.00001 -0.00002 -0.00003 0.00002 -0.00002 -0.00000 0.00003 -0.00084 -0.00080 -0.00077 -0.00087 -0.00083 -0.00080 -0.00005 -0.00033 0.00009 0.00016 -0.00021 -0.00013 -0.00037 -0.00035 -0.00035 -0.00044 -0.00042 -0.00042 -0.00041 -0.00037 -0.00035 -0.00034 -0.00030 -0.00028 0.00002 -0.00000 2.57825 2.55131 2.55926 2.74839 3.85701 2.56279 2.04391 1.85323 4.29326 4.29097 4.11275 4.05204 4.08057 4.53721 4.09308 2.63956 2.73577 2.04464 2.73775 2.04155 2.69541 2.04312 2.69091 2.04223 2.04194 2.33009 2.47957 2.81827 2.59289 2.30124 2.54571 2.73817 2.74340 2.05764 2.07342 2.06754 2.05224 2.07097 2.06984 2.55502 2.03914 2.06745 2.06204 2.05839 2.33307 1.97388 1.97480 1.78963 2.31030 2.18091 1.88344 2.21440 2.18530 2.47670 2.66088 1.82545 2.00493 1.59444 1.65420 1.59215 1.09237 1.09760 2.14870 1.65291 1.09433 1.10372 1.63702 2.01459 1.12528 2.72542 1.86175 1.65694 2.68075 2.25393 2.51330 1.50721 2.14229 1.90135 2.19451 2.18426 2.14314 1.87800 2.20852 2.19280 2.18568 1.87129 2.19802 2.20917 2.12217 1.88537 2.19729 2.19901 2.10859 1.88365 2.20980 2.18745 2.27186 2.16448 2.12069 1.99800 1.89460 2.03842 2.13809 1.94717 2.19654 2.06134 2.17203 2.02729 1.91539 1.93531 1.90601 1.90329 1.90529 1.89826 1.92918 1.91497 1.91750 1.91011 1.89145 1.90025 1.85831 1.91949 2.33441 2.02921 1.85918 1.93636 1.92658 1.89422 1.90682 1.93850 -3.08466 0.13005 -0.00615 -3.07462 -1.41369 1.79101 0.00669 3.09867 0.00333 -3.12864 3.07902 -0.05295 2.90169 -2.21837 3.04762 -2.04392 -2.59835 -0.33879 1.16997 -0.15278 1.01035 -0.00685 1.18480 0.63036 2.88992 -1.88450 0.00048 3.12893 3.13265 -0.02208 -1.83380 2.77193 -2.74851 1.42552 -0.12283 2.32136 -2.77714 2.74961 0.43777 -1.09403 -0.84075 2.75940 -2.77697 2.94120 0.83121 1.11495 -2.76923 2.77216 -0.58844 -2.18976 0.17606 2.80669 -2.77224 -1.52176 1.81581 0.66047 -1.82371 -2.35573 -1.18312 -2.33321 -0.98002 2.31350 0.01224 3.06329 -3.04860 0.00244 0.04692 3.08975 3.10835 -0.13200 -0.06722 3.13069 -3.11930 0.07862 -0.08817 3.12325 -3.13019 0.08124 0.09639 -3.11392 -3.10160 -0.02872 -0.01480 3.12026 -0.28187 2.86584 1.69548 -2.52930 -0.37272 -1.45206 0.60634 2.76292 -0.20211 2.99285 -3.10504 -0.19910 0.09209 2.99803 -0.44756 1.65623 -2.53548 2.91022 -1.26917 0.82230 0.10172 2.20981 -1.98483 3.01181 -1.16329 0.92525 -0.00417 -3.13519 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000035 0.000007 0.001931 0.000450 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -2.304093e-08 Grimme-D2 -0.0364329570 PCM SMD-Coulomb. Total charges None Matrix inversion 1,4-Dioxane 2.209900 2.023222 0.000000 1.364353 0.000000 2.199606 1.454401 0.000000 2.674952 2.064880 2.279902 0.000000 3.127454 2.041061 3.111700 2.819315 0.000000 5.317246 4.077370 4.670865 4.188063 2.271928 0.000000 5.304385 4.188229 5.008188 4.870585 2.270738 1.396790 0.000000 4.689205 3.337483 3.542189 3.507394 2.176355 1.447691 2.315063 0.000000 5.967855 4.788526 5.388763 4.484791 2.998578 1.081980 2.210668 2.251665 0.000000 4.637643 3.527999 4.209618 4.722586 2.144303 2.296444 1.448735 2.304849 3.343424 0.000000 5.943383 4.965248 5.935525 5.650524 2.996802 2.216975 1.080338 3.361217 2.671940 2.256077 0.000000 4.297733 3.006127 3.237490 3.978597 2.159342 2.313580 2.324461 1.426350 3.355911 1.423952 3.365416 0.000000 4.981009 3.651811 3.503381 3.332904 2.935988 2.258747 3.354243 1.081169 2.707616 3.352070 4.367108 2.245289 0.000000 4.845941 3.938914 4.667509 5.452398 2.862491 3.338234 2.258913 3.349329 4.351687 1.080705 2.712731 2.237032 4.364415 0.000000 4.185655 2.986545 2.825835 4.166566 2.867161 3.362923 3.367266 2.245093 4.373087 2.230433 4.373240 1.080545 2.715979 2.684081 0.000000 3.489992 3.278203 4.703307 4.417874 2.400965 4.109557 3.412471 4.478905 4.660982 3.353987 3.422808 4.119720 5.325698 3.378624 4.694326 0.000000 3.611566 3.007702 4.029048 2.331935 2.165965 3.264984 3.751029 3.483266 3.286080 4.196283 4.165560 4.113702 3.784466 4.942656 4.795208 3.129666 0.000000 3.760409 3.323406 4.038113 1.871445 3.107611 4.121727 4.828802 4.075054 4.035337 5.183714 5.330805 4.830664 4.060414 5.966892 5.363857 4.191853 1.233037 0.000000 3.434718 2.981342 3.238040 0.980689 3.411805 4.509758 5.320612 4.026609 4.577019 5.400578 6.016639 4.724223 3.759032 6.190278 5.023758 4.868112 2.247722 1.312131 0.000000 1.350095 2.495670 3.544289 3.618865 3.713910 5.976007 5.769464 5.619709 6.562958 5.225170 6.198178 5.210389 6.041619 5.283247 5.228530 3.146776 3.909742 4.163538 4.171118 0.000000 2.318482 3.250914 4.350034 3.657670 4.089135 6.211136 6.131807 6.053760 6.591707 5.895077 6.448853 5.929642 6.418144 6.088400 6.126246 3.360356 3.536246 3.629777 3.891425 1.372083 0.000000 2.650493 3.341116 4.257519 3.013283 4.150702 6.074359 6.263973 5.880555 6.308614 6.177868 6.655038 6.023118 6.069805 6.565098 6.264464 3.978362 3.072732 2.787460 2.994830 2.271807 1.217759 0.000000 3.483970 4.417110 5.603051 4.944971 4.970161 7.031109 6.767758 7.065308 7.377574 6.605191 6.892252 6.875867 7.539743 6.659586 7.133193 3.589017 4.404612 4.639137 5.110584 2.248575 1.347142 2.284635 0.000000 4.706788 5.522710 6.702638 5.628020 5.828230 7.670562 7.501819 7.869966 7.830437 7.577166 7.514737 7.881675 8.296944 7.722513 8.254562 4.447176 4.780339 4.884680 5.548399 3.597639 2.398657 2.760434 1.448974 0.000000 4.758604 5.554026 6.598724 5.286261 5.980518 7.758634 7.784392 7.879725 7.838062 7.902055 7.890118 8.038308 8.171723 8.172065 8.396313 5.001395 4.643547 4.476120 5.059980 3.846698 2.505176 2.377540 2.085921 1.088853 0.000000 5.151452 5.747577 7.033268 5.821082 5.660182 7.293418 7.078025 7.689734 7.367596 7.332405 6.959152 7.774855 8.185490 7.501083 8.278213 4.134952 4.533717 4.808823 5.692330 4.114468 2.965822 3.259601 2.106384 1.097208 1.780269 0.000000 5.502843 6.435427 7.585395 6.642039 6.826760 8.706457 8.462786 8.903933 8.887686 8.487982 8.428840 8.839859 9.350325 8.544608 9.169507 5.275841 5.869920 5.965037 6.580891 4.292821 3.235446 3.701308 2.083184 1.094095 1.779002 1.781330 0.000000 4.011821 4.929681 6.161393 5.922127 5.379894 7.453315 6.923428 7.536097 7.920997 6.627942 6.941921 7.105782 8.155868 6.448658 7.321586 3.537139 5.298492 5.764780 6.242099 2.685053 2.476862 3.612482 1.451744 2.462012 3.373995 2.846865 2.632608 0.000000 3.451990 4.356563 5.533171 5.672225 4.950323 7.092122 6.493138 7.048138 7.689926 5.997088 6.600768 6.449667 7.697084 5.723253 6.561363 3.230639 5.281946 5.818151 6.152305 2.221177 2.598629 3.813949 2.095927 3.384781 4.174370 3.760979 3.666263 1.085996 0.000000 4.783770 5.835730 6.970905 6.797322 6.442982 8.542031 8.007716 8.584768 9.009177 7.666460 8.016822 8.120620 9.176182 7.434822 8.269638 4.620312 6.309837 6.677698 7.093797 3.439232 3.215687 4.292714 2.093354 2.782820 3.673403 3.341977 2.512308 1.095908 1.781186 0.000000 4.677553 5.377192 6.719704 6.353609 5.419694 7.306577 6.664827 7.592346 7.719472 6.525936 6.517406 7.195057 8.302468 6.316344 7.541686 3.268869 5.333318 5.962646 6.629229 3.439278 3.146841 4.181057 2.094756 2.684377 3.719872 2.638380 2.861100 1.095307 1.768901 1.782514 0.000000 1.354307 2.268294 2.218148 3.169225 4.274891 6.329423 6.429991 5.475440 6.988345 5.639444 7.158138 5.063070 5.569122 5.830157 4.700550 4.829710 4.698472 4.578581 3.910494 2.257061 3.157801 3.323066 4.305397 5.497580 5.412555 6.120884 6.179656 4.851658 4.271872 5.416606 5.681526 0.000000 2.168127 2.273298 1.356171 2.948615 4.244982 5.987127 6.262411 4.895756 6.672650 5.409661 7.134973 4.531729 4.807316 5.722265 4.009623 5.407102 4.881505 4.701542 3.785089 3.403539 4.262677 4.210990 5.498774 6.638130 6.480161 7.167330 7.402600 6.070098 5.442459 6.710298 6.813339 1.352057 0.000000 3.168062 3.343817 2.242231 3.774093 5.279855 6.899360 7.232766 5.712968 7.572670 6.333972 8.140803 5.357467 5.494424 6.627817 4.709329 6.475671 5.864879 5.563341 4.515988 4.301519 5.131561 5.026290 6.343086 7.458242 7.235038 8.066658 8.162615 6.916257 6.284673 7.457576 7.728503 2.069722 1.079068 0.000000 3.253443 2.274436 1.081587 2.677848 3.371604 4.412817 4.917760 3.088521 5.127191 4.138826 5.936307 2.904159 2.840606 4.715835 2.396658 5.326976 4.410004 4.413803 3.554327 4.584372 5.338256 5.153087 6.595218 7.644148 7.509613 7.899450 8.566934 7.155051 6.518205 8.001823 7.644384 3.256269 2.168035 2.728024 0.000000 4.963371 4.743072 5.429400 3.187800 4.493252 5.262810 5.999516 5.406351 4.932028 6.536970 6.344134 6.267256 5.322843 7.315985 6.842289 5.198273 2.380464 1.491361 2.359516 5.127972 4.251876 3.232640 5.029252 4.840862 4.221717 4.691645 5.864385 6.302684 6.589052 7.113052 6.443336 5.693947 5.932415 6.708591 5.812527 0.000000 4.813003 4.899450 5.645612 3.522527 4.948044 6.061394 6.645743 6.151714 5.837810 7.061760 6.952452 6.845601 6.125147 7.733910 7.341201 5.270259 2.910127 2.085488 2.780618 4.760149 3.693775 2.616177 4.356678 4.019149 3.268113 4.010580 4.983786 5.722948 6.123464 6.422759 5.945467 5.474061 5.927250 6.674501 6.196135 1.094045 0.000000 5.596884 5.319093 5.755252 3.480874 5.193376 5.742823 6.655802 5.758705 5.335049 7.187017 7.082730 6.744514 5.472509 8.036478 7.264762 6.182140 3.205578 2.139669 2.519198 5.917729 5.102577 3.988158 5.962809 5.766712 5.036525 5.693307 6.751975 7.279819 7.536426 8.054325 7.484378 6.145325 6.218485 6.871943 6.013001 1.091192 1.773814 0.000000 5.637115 5.335910 6.164348 3.987696 4.687668 5.171049 5.849415 5.600108 4.687217 6.598517 6.028420 6.514309 5.630584 7.377774 7.223273 5.185884 2.544390 2.131284 3.250336 5.684890 4.767391 3.906574 5.345284 5.007387 4.510341 4.619948 6.017054 6.521446 6.878687 7.364322 6.479813 6.518448 6.788117 7.628122 6.507258 1.089250 1.780268 1.797683 0.000000 C14H17ClNO5Rh C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 400.51199999999983 AuxInfo=1/1/N:24,28,3,2,33,1,21,23,22,32,20;6,7,8,10,12;36,18,19,17;16;5/E:(1,2);(1,2,3,4,5);;;/CRV:3.3,4.2,5.3,6.3,7.3,9.1;1.3,2.3,3.3,4.3,5.3;2.3,4-1;;/rA:39C3C3C3HRhCCCHCHCHHHClOC3OOC3O1NCHHHCHHHOC3HHCHHH/rB:s1;s2;;s2;s5;s5s6;s5s6;s6;s5s7;s7;s5s8s10;s8;s10;s12;s5;s5;s17;s4s18;s1;s20;s21;s21;s23;s24;s24;s24;s23;s28;s28;s28;s1;s3s32;s33;s3;s18;s36;s36;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3413672 0.2000367 0.1915366 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 45. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 441 441 441 441 441 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -1545.12368306961 -1545.12368307 1 1.467993473163e+03 -8.421636096958e+03 3.000524591563e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 6710886400 LenX= 6710474812 LenY= 6710278120 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 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= 2.2099, EpsInf= 2.0232) 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. Defaulting to unpruned grid for atomic number 45. 12239 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 6710886400 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 117 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=3 IntGTp=3. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. Defaulting to unpruned grid for atomic number 45. There are 120 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 117 vectors produced by pass 0 Test12= 2.98D-14 1.00D-09 XBig12= 1.20D+02 3.12D+00. AX will form 117 AO Fock derivatives at one time. 117 vectors produced by pass 1 Test12= 2.98D-14 1.00D-09 XBig12= 1.68D+01 1.06D+00. 117 vectors produced by pass 2 Test12= 2.98D-14 1.00D-09 XBig12= 8.80D-01 1.24D-01. 117 vectors produced by pass 3 Test12= 2.98D-14 1.00D-09 XBig12= 1.71D-02 1.41D-02. 117 vectors produced by pass 4 Test12= 2.98D-14 1.00D-09 XBig12= 2.13D-04 1.71D-03. 117 vectors produced by pass 5 Test12= 2.98D-14 1.00D-09 XBig12= 1.80D-06 1.48D-04. 116 vectors produced by pass 6 Test12= 2.98D-14 1.00D-09 XBig12= 1.07D-08 8.74D-06. 52 vectors produced by pass 7 Test12= 2.98D-14 1.00D-09 XBig12= 6.12D-11 6.08D-07. 4 vectors produced by pass 8 Test12= 2.98D-14 1.00D-09 XBig12= 3.34D-13 4.50D-08. 3 vectors produced by pass 9 Test12= 2.98D-14 1.00D-09 XBig12= 1.78D-15 3.42D-09. InvSVY: IOpt=1 It= 1 EMax= 1.07D-14 Solved reduced A of dimension 877 with 120 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 238.61 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 274.326 -6.228 239.993 -2.939 -2.485 201.518 257.304 -6.564 244.661 -8.828 2.313 207.628 (Enter /opt/software/eb/software/Gaussian/16.A.03-AVX2/g16/l716.exe) PT14744.700S 2024-02-23T21:16:22.000 -101.60827 -19.33004 -19.32096 -19.30993 -19.29194 -19.23184 -14.47241 -10.45090 -10.43808 -10.38567 -10.34181 -10.34068 -10.33824 -10.33591 -10.33590 -10.33011 -10.31092 -10.30732 -10.29852 -10.28728 -10.28479 -9.49067 -7.23580 -7.23076 -7.23053 -3.37263 -2.13741 -2.10808 -2.10553 -1.23685 -1.22689 -1.19368 -1.13435 -1.11033 -1.03563 -1.01924 -0.88972 -0.85906 -0.84717 -0.84568 -0.83584 -0.81299 -0.80661 -0.78664 -0.71331 -0.70151 -0.68648 -0.66336 -0.66061 -0.64723 -0.62520 -0.61550 -0.61326 -0.58875 -0.57984 -0.57442 -0.56588 -0.55595 -0.53615 -0.52403 -0.52150 -0.51242 -0.51107 -0.50658 -0.49614 -0.48864 -0.48730 -0.48669 -0.48204 -0.47614 -0.47519 -0.47387 -0.47147 -0.45913 -0.44818 -0.42766 -0.42582 -0.42031 -0.39487 -0.39064 -0.38656 -0.37815 -0.37074 -0.35424 -0.34877 -0.33955 -0.31768 -0.31262 -0.30618 -0.28846 -0.27790 -0.00206 0.03007 0.05401 0.07277 0.08615 0.08783 0.09513 0.10861 0.11407 0.11723 0.13823 0.15495 0.17670 0.18518 0.19390 0.20282 0.20981 0.21584 0.22072 0.22331 0.23450 0.24058 0.24608 0.24892 0.25811 0.26186 0.26532 0.26874 0.27301 0.27760 0.28245 0.28443 0.28732 0.29029 0.29848 0.30096 0.30498 0.30981 0.31704 0.32366 0.33578 0.34567 0.35369 0.36222 0.37755 0.39027 0.39651 0.40777 0.41402 0.41982 0.43735 0.46965 0.48276 0.49600 0.50938 0.51999 0.54198 0.54331 0.55987 0.56070 0.58505 0.59971 0.60802 0.61152 0.61930 0.62832 0.64489 0.64757 0.64941 0.66558 0.66798 0.67432 0.68587 0.69280 0.69341 0.70511 0.71261 0.71615 0.72705 0.72861 0.73016 0.74235 0.75377 0.75591 0.77419 0.77998 0.78963 0.79619 0.80717 0.81279 0.82881 0.83706 0.85233 0.85353 0.86353 0.86614 0.87662 0.88642 0.89510 0.90167 0.91126 0.91196 0.91480 0.92311 0.92465 0.92954 0.93819 0.94053 0.95209 0.96456 0.96619 0.97124 0.98087 0.98440 0.99394 1.00933 1.01192 1.01398 1.02271 1.03036 1.03660 1.04629 1.05345 1.05938 1.06714 1.07296 1.07889 1.08958 1.09390 1.09959 1.10271 1.11501 1.12217 1.13278 1.14090 1.15442 1.16394 1.17822 1.18977 1.21141 1.22837 1.25304 1.25927 1.27724 1.28602 1.29371 1.30991 1.31943 1.33603 1.34842 1.35960 1.36977 1.37273 1.39180 1.39530 1.40633 1.41195 1.42019 1.43364 1.44068 1.45202 1.46953 1.47722 1.49247 1.50451 1.51248 1.53475 1.54590 1.55229 1.56804 1.57842 1.58405 1.59704 1.61006 1.62419 1.64308 1.66849 1.68060 1.70776 1.71780 1.73039 1.74775 1.75487 1.77873 1.79839 1.80312 1.83357 1.84195 1.85606 1.86581 1.87856 1.88709 1.90241 1.90859 1.92933 1.93221 1.94164 1.94838 1.95648 1.95852 1.97898 1.99331 2.00029 2.01037 2.02514 2.03406 2.04379 2.05432 2.06853 2.06953 2.08490 2.09762 2.10200 2.10972 2.11453 2.12265 2.13617 2.13840 2.14323 2.15346 2.15678 2.15834 2.16574 2.17324 2.17835 2.19651 2.20152 2.20391 2.21884 2.22389 2.22807 2.25316 2.26530 2.27309 2.28869 2.31341 2.32138 2.33977 2.35527 2.37288 2.39095 2.40845 2.43037 2.45147 2.46475 2.48903 2.49524 2.50025 2.50260 2.52048 2.52537 2.52888 2.53292 2.53686 2.54272 2.55810 2.56441 2.57382 2.58439 2.58931 2.59479 2.61667 2.62563 2.63269 2.65627 2.66036 2.67270 2.67958 2.68620 2.69781 2.73218 2.73790 2.76064 2.78084 2.79263 2.79484 2.79818 2.80237 2.81486 2.81883 2.83203 2.84734 2.86191 2.87081 2.88219 2.89449 2.89838 2.93502 2.94976 2.96604 2.98634 2.99933 3.01643 3.02152 3.04075 3.05939 3.09032 3.10805 3.16083 3.16715 3.20186 3.23894 3.25432 3.26232 3.28627 3.32836 3.34469 3.34664 3.35548 3.37393 3.37687 3.38704 3.42307 3.47350 3.51226 3.52344 3.53703 3.54891 3.55660 3.60956 3.78726 3.84718 3.87832 3.88608 37.53054 37.85644 38.18331 49.64444 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 C C C H Rh C C C H C H C H H H Cl O C O O C O N C H H H C H H H O C H H C H H H 0.506790 -0.133730 -0.255493 0.395358 0.021298 -0.110680 -0.109416 -0.206763 0.190588 -0.160101 0.198245 -0.113725 0.184460 0.202075 0.191620 -0.393249 -0.425759 0.642913 -0.474379 -0.522377 0.810285 -0.520644 -0.464919 -0.227607 0.160749 0.152553 0.135984 -0.220949 0.183450 0.131902 0.148433 -0.416052 0.103287 0.164595 0.139013 -0.456892 0.204022 0.169635 0.175481 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 5 6 7 8 10 12 16 17 18 19 20 21 22 23 24 28 32 33 36 C C C Rh C C C C C Cl O C O O C O N C C O C C 0.506790 -0.133730 -0.116480 0.021298 0.079908 0.088829 -0.022303 0.041974 0.077895 -0.393249 -0.425759 0.642913 -0.079020 -0.522377 0.810285 -0.520644 -0.464919 0.221678 0.242836 -0.416052 0.267882 0.092247 -0.00000 -1.58610227e+00 6.02548732e-01 1.01221219e+00 2.74325670e+02 -6.22752383e+00 2.39993276e+02 -2.93850620e+00 -2.48530187e+00 2.01517560e+02 -10.2342 -7.2210 0.0008 0.0016 0.0019 7.9134 27.3481 44.8765 50.2551 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 26.2906 44.8079 50.1084 63.5940 68.0234 86.8934 96.1870 98.9187 105.3002 112.7542 120.1453 129.3391 132.1045 144.7047 164.2522 175.2870 187.6326 201.3942 221.1721 244.2188 249.4158 257.4219 278.1125 299.7419 304.8338 354.2352 379.7662 395.2229 406.7106 485.8811 487.6488 514.7583 569.8827 584.7763 599.9590 623.5700 642.4010 646.3037 695.5558 733.5838 757.1543 763.1254 804.7978 828.5396 838.7086 849.3229 870.7505 877.0607 887.5293 903.4856 912.6498 932.3146 964.8109 968.6608 1017.3967 1029.5681 1045.5338 1053.4174 1066.8207 1074.5293 1085.5466 1089.1676 1106.0169 1129.4390 1142.0477 1147.3572 1180.4236 1188.9505 1218.1152 1241.3146 1276.8762 1294.1527 1300.4441 1336.0578 1390.2222 1411.1566 1417.7817 1425.6470 1461.2325 1465.7573 1468.5493 1474.1892 1480.5508 1496.7040 1501.9076 1511.7330 1512.8824 1514.1963 1521.4847 1560.1289 1591.1734 1654.3322 1768.2031 1843.1630 3052.7652 3059.6826 3093.3364 3122.3881 3129.1957 3181.9708 3203.0781 3214.3375 3241.6055 3270.1455 3279.2487 3288.2668 3295.0268 3303.4263 3310.6244 3317.6600 3574.4012 6.2501 3.6649 4.5185 3.8293 5.3657 3.7885 2.2507 1.8438 2.9566 1.3798 4.3578 3.9666 6.8228 5.0237 1.4946 6.4175 7.1713 6.9137 5.7385 4.8516 4.1661 3.3617 5.6312 11.1156 9.9480 6.1763 4.3229 4.9232 5.9951 3.3097 3.7443 7.3529 2.0577 3.6547 4.0814 5.8101 4.4910 4.8638 5.9121 1.2787 6.4041 1.5499 8.1191 2.2110 5.3665 1.5678 1.2541 1.3680 5.6677 1.2121 6.6156 3.6669 1.2655 1.2013 1.5991 2.9009 1.4160 1.4860 1.8355 1.9126 1.3165 1.2596 1.3693 1.7723 1.2276 3.4188 3.8491 1.3831 2.1620 3.3948 2.4416 2.6455 1.2822 5.7035 1.2728 4.0128 3.9061 2.8633 1.1657 2.3951 1.5990 1.5798 1.0978 1.1649 1.0614 2.1726 1.2513 2.3547 1.0468 1.6651 4.4842 9.0836 8.7147 10.7329 1.0407 1.0411 1.0365 1.1042 1.1016 1.1005 1.1003 1.1066 1.0966 1.0926 1.0917 1.0930 1.0963 1.0981 1.1061 1.1038 1.0650 0.0025 0.0043 0.0067 0.0091 0.0146 0.0169 0.0123 0.0106 0.0193 0.0103 0.0371 0.0391 0.0702 0.0620 0.0238 0.1162 0.1488 0.1652 0.1654 0.1705 0.1527 0.1313 0.2566 0.5884 0.5446 0.4566 0.3673 0.4531 0.5843 0.4604 0.5246 1.1479 0.3937 0.7363 0.8656 1.3311 1.0920 1.1970 1.6852 0.4054 2.1631 0.5318 3.0984 0.8943 2.2242 0.6663 0.5602 0.6200 2.6304 0.5829 3.2466 1.8779 0.6940 0.6641 0.9752 1.8117 0.9120 0.9716 1.2308 1.3011 0.9140 0.8804 0.9869 1.3320 0.9434 2.6517 3.1600 1.1520 1.8901 3.0820 2.3455 2.6106 1.2776 5.9985 1.4494 4.7082 4.6260 3.4288 1.4665 3.0318 2.0317 2.0228 1.4178 1.5374 1.4106 2.9253 1.6874 3.1808 1.4277 2.3879 6.6891 14.6472 16.0533 21.4829 5.7145 5.7427 5.8435 6.3425 6.3556 6.5650 6.6510 6.7362 6.7891 6.8842 6.9165 6.9631 7.0132 7.0603 7.1426 7.1585 8.0169 4.4194 0.2184 2.3244 1.5099 1.4340 4.6667 4.0503 1.7544 0.3342 0.1255 4.1484 2.9907 6.2126 0.5700 0.5931 3.1696 2.0599 3.9204 3.4341 5.4780 9.6748 5.5340 6.7259 26.3684 15.2509 10.0058 4.4293 14.9481 2.1993 9.2312 10.7464 6.0322 4.1259 2.7614 4.7681 11.3609 8.1455 41.8310 13.2078 99.5433 24.6104 74.5459 7.6615 42.7417 0.4115 57.9218 17.9169 8.4279 19.3904 10.5237 3.6876 3.2487 0.8075 3.1319 16.5179 34.9783 10.9876 16.6520 11.9248 21.9058 0.3784 10.3551 8.0164 48.3313 6.6767 3.2849 49.0272 16.4328 268.0166 218.9842 36.6203 307.3557 3.7655 36.7165 7.8208 6.5469 4.3402 152.9543 9.3190 16.9043 29.9752 139.6340 34.4826 65.4724 8.5402 63.3323 4.7448 58.0071 15.8486 257.1020 47.8834 70.6845 675.9822 643.6003 37.9924 81.2837 1.9256 60.3943 13.5247 2.8459 4.5160 2.7178 1.9820 6.6906 0.1762 0.0547 0.9727 1.4885 1.4589 1.2928 560.6920 -0.00 0.02 0.01 0.00 0.01 0.04 -0.01 0.01 0.06 0.07 0.06 -0.01 0.00 0.01 0.02 -0.05 -0.02 -0.09 0.03 -0.03 -0.06 -0.04 -0.03 -0.12 -0.12 -0.00 -0.10 0.10 -0.05 -0.07 0.05 -0.03 -0.04 0.05 -0.05 -0.11 -0.09 -0.03 -0.15 0.17 -0.07 -0.04 0.09 -0.06 -0.12 0.08 0.01 0.18 -0.12 0.09 0.09 -0.05 0.09 0.05 0.07 0.08 -0.01 -0.00 0.03 -0.03 -0.02 -0.07 -0.05 -0.05 -0.18 0.01 0.02 -0.03 -0.14 -0.03 -0.16 -0.16 -0.03 -0.22 -0.08 -0.06 -0.19 -0.25 -0.03 -0.15 -0.16 0.02 0.06 -0.21 0.08 0.17 -0.21 0.04 0.04 -0.16 -0.05 0.05 -0.31 -0.02 0.03 0.03 -0.02 0.02 0.05 -0.03 0.03 0.07 -0.01 -0.00 0.08 -0.08 0.09 0.07 -0.07 0.00 0.09 -0.03 0.13 0.03 -0.16 0.12 0.10 -0.00 0.01 0.02 -0.00 -0.00 0.02 -0.02 -0.01 0.02 -0.02 -0.03 0.04 -0.00 -0.01 0.00 -0.06 0.23 0.01 -0.07 0.06 0.16 0.02 0.13 -0.19 -0.10 0.39 0.03 -0.01 -0.14 0.07 -0.14 0.08 0.33 0.06 -0.09 -0.16 0.04 0.21 -0.33 0.02 -0.29 0.15 0.12 -0.21 -0.27 -0.01 -0.01 -0.00 0.00 -0.05 -0.01 0.01 -0.06 0.01 -0.01 -0.05 0.04 0.00 0.02 0.01 0.02 0.02 0.00 0.02 0.01 0.01 0.03 0.03 -0.01 0.05 0.04 -0.03 0.06 0.05 -0.03 0.07 0.04 -0.01 0.05 0.05 -0.05 0.01 0.03 -0.01 0.00 0.03 -0.01 0.01 0.04 -0.03 0.02 0.03 -0.01 -0.02 0.02 0.03 -0.03 0.00 0.03 -0.04 0.00 0.03 -0.03 -0.03 0.01 0.03 -0.09 -0.01 0.03 -0.11 -0.04 0.07 -0.09 0.01 0.03 -0.09 -0.02 -0.00 -0.06 0.03 -0.01 -0.03 0.01 0.03 -0.01 0.05 -0.01 0.03 0.01 -0.05 -0.00 -0.00 -0.08 -0.04 -0.07 -0.06 0.01 -0.10 -0.06 -0.01 -0.01 -0.12 -0.09 -0.08 -0.02 0.06 -0.07 -0.07 -0.00 -0.15 -0.03 0.05 -0.01 -0.06 -0.03 0.03 -0.01 0.10 -0.09 -0.00 0.09 0.02 -0.05 -0.04 0.09 -0.06 0.02 0.01 -0.00 0.01 -0.01 0.02 0.02 -0.00 -0.03 -0.09 0.01 0.06 0.00 -0.02 0.09 0.04 -0.04 0.11 0.05 -0.03 0.27 0.19 -0.08 0.28 0.25 -0.15 0.40 0.18 0.04 0.26 0.26 -0.17 0.05 -0.03 0.02 -0.03 -0.11 0.05 0.01 -0.02 -0.06 0.11 -0.02 0.11 0.04 -0.05 0.07 0.06 -0.02 0.09 0.10 -0.01 0.13 0.04 0.02 0.06 0.06 -0.02 -0.05 0.05 -0.12 -0.11 0.17 0.02 -0.06 0.00 0.01 -0.01 -0.02 0.03 0.02 -0.02 0.01 0.00 -0.02 0.02 0.08 -0.07 0.08 0.02 0.00 -0.01 -0.01 -0.02 -0.04 -0.05 0.02 -0.04 -0.04 -0.02 -0.04 -0.06 -0.05 -0.03 -0.05 0.04 -0.04 -0.04 0.03 -0.03 -0.03 0.01 -0.04 -0.05 -0.05 -0.04 -0.07 0.07 -0.04 -0.03 0.02 -0.04 -0.06 0.02 -0.02 0.05 0.03 0.05 -0.03 0.08 0.04 -0.05 0.02 0.05 -0.00 -0.02 0.03 -0.01 -0.02 0.03 -0.01 0.04 0.09 -0.03 -0.08 -0.03 0.03 -0.13 -0.04 0.06 0.03 0.02 -0.02 -0.27 0.09 0.16 -0.19 -0.25 0.06 -0.13 -0.08 0.07 -0.15 -0.10 0.07 -0.15 -0.12 0.03 -0.15 -0.07 0.12 -0.02 0.06 0.10 -0.02 0.05 0.13 -0.02 0.07 0.19 -0.03 -0.00 0.08 0.23 0.01 -0.14 0.20 -0.05 -0.29 0.37 0.04 -0.12 0.24 0.03 -0.11 0.02 -0.00 0.08 -0.00 -0.03 -0.04 0.01 -0.02 0.03 -0.16 0.08 -0.08 0.00 -0.03 -0.03 0.05 0.02 0.08 -0.01 -0.01 0.10 0.03 0.00 0.03 0.10 0.06 0.09 -0.06 -0.06 0.07 -0.02 -0.01 0.13 -0.04 -0.05 0.03 0.06 0.02 0.01 -0.11 -0.09 0.08 -0.07 -0.07 0.01 -0.03 -0.03 -0.09 0.05 0.08 -0.06 -0.05 0.12 -0.07 -0.16 0.11 -0.09 0.02 -0.01 0.05 0.04 -0.04 0.03 0.07 -0.05 0.05 0.02 -0.05 -0.01 0.08 -0.09 -0.07 -0.05 -0.16 0.03 0.20 -0.21 -0.18 0.12 0.10 -0.09 0.00 0.00 -0.05 -0.04 0.01 -0.02 -0.01 0.05 -0.09 0.04 -0.02 -0.09 0.06 0.04 0.21 0.05 0.03 0.18 0.08 0.05 0.27 -0.01 -0.03 -0.04 -0.07 0.22 -0.05 -0.07 0.38 -0.01 -0.22 0.19 -0.05 0.05 0.19 -0.06 0.01 -0.01 0.04 -0.01 -0.01 -0.01 -0.01 -0.03 -0.08 -0.05 0.02 -0.01 -0.04 0.01 0.00 -0.02 -0.01 0.01 -0.02 -0.01 0.01 -0.05 -0.01 0.02 -0.00 -0.02 0.02 -0.04 -0.01 0.01 0.00 -0.01 0.01 -0.06 -0.01 0.01 -0.06 -0.02 0.02 -0.05 -0.00 0.01 -0.08 -0.01 0.01 -0.00 0.05 -0.02 -0.03 0.02 -0.01 0.06 0.01 -0.05 0.04 0.01 -0.03 0.02 -0.00 0.07 -0.00 -0.03 0.07 -0.07 -0.12 0.11 0.07 0.03 0.04 -0.01 -0.06 0.05 -0.10 -0.13 0.14 -0.01 -0.13 -0.08 0.03 0.02 0.10 0.18 0.14 -0.03 0.30 0.25 -0.09 0.23 0.14 0.10 0.10 0.12 -0.18 0.01 -0.03 0.01 -0.00 -0.03 -0.07 0.00 -0.05 -0.10 -0.02 -0.03 -0.14 0.21 -0.02 -0.14 0.18 -0.16 -0.29 0.39 0.03 -0.15 0.16 0.02 -0.07 -0.01 -0.02 -0.04 0.01 -0.02 -0.01 0.02 0.00 0.06 -0.08 -0.01 0.02 0.01 -0.01 -0.00 -0.01 0.03 -0.01 -0.05 0.04 -0.02 0.04 0.04 0.01 -0.02 0.01 -0.01 -0.02 0.05 -0.01 -0.09 0.03 -0.04 0.03 0.06 0.01 0.07 0.04 0.03 -0.04 0.06 -0.02 0.06 0.07 0.02 -0.01 -0.07 0.06 0.03 -0.02 -0.02 0.00 -0.02 -0.01 -0.07 -0.01 0.02 -0.01 -0.02 -0.06 -0.02 0.01 -0.04 -0.06 0.02 -0.06 0.02 0.04 -0.01 -0.08 0.01 0.04 -0.21 -0.04 0.11 -0.08 -0.06 -0.08 -0.02 0.09 0.14 0.10 0.06 -0.02 0.26 0.16 -0.12 0.17 -0.03 0.14 -0.04 0.08 -0.10 0.00 -0.01 -0.01 0.02 0.01 0.06 0.02 0.02 0.09 0.03 0.01 0.10 0.03 0.02 -0.03 0.02 0.48 0.01 -0.30 -0.19 0.12 0.38 -0.15 -0.21 0.00 0.01 0.03 -0.00 0.02 0.03 -0.01 0.00 -0.04 -0.10 -0.02 0.05 -0.00 0.01 0.02 -0.02 -0.02 -0.04 0.02 -0.01 -0.03 -0.03 -0.01 -0.03 -0.05 -0.02 -0.04 0.04 -0.00 -0.03 0.03 -0.01 -0.04 0.01 -0.01 -0.03 -0.06 -0.02 -0.03 0.08 0.01 -0.02 0.02 -0.00 -0.02 0.00 0.03 0.01 0.02 -0.02 0.01 0.00 -0.02 0.01 -0.07 -0.02 0.04 -0.00 0.01 0.04 0.01 -0.00 0.04 0.06 0.03 0.03 -0.05 -0.05 0.02 0.06 -0.04 -0.05 -0.22 -0.16 0.10 0.30 -0.28 -0.23 0.16 0.31 -0.07 -0.07 -0.01 -0.01 -0.18 -0.08 0.07 -0.11 0.10 -0.10 0.07 -0.05 0.00 -0.01 -0.01 -0.04 -0.01 -0.01 -0.08 -0.02 -0.03 -0.14 -0.01 0.01 -0.06 0.06 0.00 -0.02 0.05 0.36 -0.03 -0.17 -0.16 0.10 0.35 -0.13 -0.16 -0.01 -0.01 -0.00 -0.02 -0.01 -0.02 -0.01 -0.00 0.02 0.32 0.03 -0.08 -0.02 -0.00 -0.02 -0.01 -0.01 0.00 -0.00 -0.03 0.02 -0.03 -0.02 -0.01 0.00 0.00 0.01 -0.01 -0.04 0.01 0.01 -0.02 0.03 -0.03 -0.04 -0.01 -0.03 -0.02 -0.03 -0.01 -0.05 0.01 -0.04 -0.05 -0.02 -0.01 0.00 -0.02 -0.02 0.05 -0.00 0.09 0.01 -0.02 0.30 0.02 -0.07 -0.01 -0.01 0.00 -0.02 0.01 0.01 -0.01 0.04 -0.00 -0.03 -0.01 0.04 -0.01 0.02 0.03 -0.25 -0.06 0.14 0.15 -0.16 -0.12 0.09 0.29 0.07 0.01 0.01 0.03 -0.00 -0.02 0.03 0.01 0.05 0.04 0.05 -0.00 0.03 -0.00 0.01 0.04 -0.00 0.01 0.05 0.00 0.02 0.09 -0.01 -0.01 0.02 -0.04 -0.03 0.05 -0.02 0.35 0.24 -0.39 -0.21 0.17 0.15 -0.17 -0.15 0.00 -0.01 0.01 0.00 -0.00 0.01 0.01 -0.00 0.00 -0.02 -0.00 0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.03 -0.01 -0.01 -0.02 -0.00 -0.01 0.01 -0.02 0.00 0.02 -0.01 0.01 -0.01 -0.02 -0.01 -0.05 -0.01 -0.02 0.03 -0.02 0.01 -0.01 -0.02 -0.02 0.01 0.05 -0.04 -0.01 0.00 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.03 -0.01 -0.02 -0.07 0.02 0.04 0.01 -0.02 0.02 0.03 0.00 0.36 0.17 -0.18 -0.20 0.29 0.26 -0.11 -0.35 -0.05 -0.00 -0.04 0.01 -0.01 -0.04 0.01 -0.01 -0.08 -0.01 -0.03 -0.02 0.05 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.01 0.01 0.00 0.00 0.02 0.02 -0.00 0.01 0.42 0.04 -0.28 -0.16 0.13 0.31 -0.12 -0.16 0.03 0.07 0.07 -0.00 0.01 -0.04 -0.05 -0.03 -0.14 0.06 -0.05 -0.05 -0.01 -0.00 -0.04 0.04 0.00 0.04 -0.02 0.01 0.01 0.02 0.01 0.05 0.09 -0.01 0.04 -0.08 0.03 0.01 -0.01 0.01 -0.01 -0.06 0.03 0.04 0.06 0.01 0.08 -0.14 0.04 -0.01 -0.10 0.03 0.05 -0.00 -0.06 0.14 0.01 -0.04 -0.06 0.00 -0.05 -0.04 0.04 -0.05 -0.05 0.05 0.10 0.08 0.09 0.06 0.05 0.16 0.04 0.08 0.05 0.04 -0.02 0.00 -0.09 -0.03 0.31 -0.04 -0.11 -0.22 0.10 0.08 -0.11 -0.42 -0.09 -0.07 0.05 -0.04 -0.01 0.16 -0.04 -0.06 -0.09 -0.03 -0.22 0.08 -0.06 -0.00 0.07 0.04 -0.05 0.01 -0.09 -0.08 -0.00 -0.12 -0.08 -0.07 -0.23 -0.06 -0.07 -0.01 -0.05 0.13 0.08 -0.25 -0.18 0.06 0.05 -0.15 -0.13 0.02 -0.04 0.01 0.02 -0.04 0.05 0.01 -0.04 0.04 0.01 -0.01 -0.00 -0.03 -0.01 0.04 -0.08 -0.02 -0.03 -0.03 -0.02 -0.03 -0.07 -0.02 -0.03 -0.13 -0.02 -0.04 0.02 -0.01 -0.02 -0.03 -0.02 -0.02 -0.00 -0.01 -0.02 -0.10 -0.02 -0.04 0.07 -0.01 -0.01 0.02 -0.01 -0.02 -0.02 0.07 -0.08 -0.01 0.00 0.04 -0.02 0.01 0.03 -0.00 0.00 0.00 0.03 -0.02 -0.01 0.13 0.07 -0.04 0.22 0.16 -0.08 0.09 0.02 -0.02 -0.08 -0.12 0.03 -0.11 -0.18 0.10 -0.20 -0.12 -0.10 -0.06 -0.17 0.13 0.06 0.01 -0.02 0.37 0.26 -0.19 0.16 -0.32 0.24 -0.34 0.09 -0.11 -0.01 -0.04 -0.02 -0.01 -0.05 -0.00 -0.02 -0.05 -0.02 0.01 -0.05 0.06 -0.03 0.04 0.04 -0.02 -0.01 0.04 0.00 0.08 -0.00 -0.06 0.07 0.08 0.02 -0.04 -0.06 0.01 0.01 -0.07 0.08 0.05 -0.00 -0.10 0.02 0.07 -0.04 0.04 -0.05 0.10 -0.02 0.10 0.09 -0.05 0.12 -0.07 -0.05 0.04 0.21 0.02 0.11 -0.07 -0.10 0.08 0.19 -0.04 0.17 -0.15 -0.10 0.04 -0.09 -0.04 0.01 -0.12 -0.13 0.09 -0.25 -0.12 0.01 0.13 0.17 0.12 -0.04 -0.02 -0.07 -0.06 -0.06 -0.01 -0.10 -0.03 0.07 -0.01 -0.08 -0.08 0.01 -0.02 -0.08 0.01 0.05 -0.12 0.00 -0.03 -0.01 -0.03 -0.01 0.02 -0.25 -0.06 0.10 0.06 -0.14 -0.11 0.05 0.18 0.10 0.04 -0.08 0.02 0.11 -0.06 -0.04 0.06 -0.14 0.09 -0.02 -0.06 0.03 0.09 -0.02 0.04 0.13 0.03 0.07 0.20 0.05 0.14 0.09 0.07 -0.02 -0.05 -0.15 -0.03 -0.05 -0.13 -0.04 -0.03 -0.21 0.04 -0.04 -0.19 -0.10 0.01 -0.02 -0.02 0.02 -0.08 0.00 -0.04 -0.09 0.05 0.02 -0.09 -0.12 -0.01 -0.06 0.00 -0.06 0.07 -0.00 -0.17 0.08 -0.04 0.07 0.09 0.04 -0.07 0.04 -0.01 -0.11 0.10 -0.01 -0.30 0.05 -0.07 0.03 0.11 0.03 0.18 0.09 0.07 -0.18 0.11 -0.03 0.09 0.13 0.05 0.16 0.14 0.02 -0.04 -0.05 0.03 -0.01 -0.02 -0.04 0.02 -0.05 -0.12 0.07 0.05 -0.03 0.02 0.00 -0.00 0.01 0.01 -0.01 -0.03 -0.04 0.02 -0.01 -0.02 0.02 -0.03 -0.02 0.02 0.02 -0.03 0.02 -0.00 0.01 0.01 -0.00 -0.02 0.01 -0.28 -0.25 0.16 -0.09 0.27 -0.21 0.36 -0.10 0.09 -0.06 0.00 0.00 -0.08 -0.04 0.05 -0.13 -0.03 0.07 -0.04 -0.12 0.10 -0.00 0.06 -0.04 -0.01 0.07 -0.05 -0.02 0.09 -0.09 0.02 0.08 0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.00 0.02 -0.00 0.01 -0.00 0.03 0.03 -0.01 0.01 0.00 -0.01 -0.01 0.00 0.01 -0.01 0.01 -0.02 -0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.01 0.00 0.03 -0.01 0.01 -0.02 -0.01 -0.00 -0.04 -0.01 -0.01 0.02 -0.02 0.01 -0.02 -0.02 -0.01 -0.03 -0.02 0.00 0.00 0.02 -0.01 -0.00 0.01 0.01 -0.00 0.02 0.03 0.01 -0.01 -0.01 0.02 0.01 -0.01 0.05 0.05 -0.03 -0.03 -0.03 0.02 -0.05 -0.04 0.03 0.09 0.01 -0.04 -0.15 0.07 0.11 -0.10 -0.20 0.01 0.09 0.07 -0.05 -0.26 -0.20 0.14 -0.01 0.53 -0.31 0.59 -0.05 -0.03 0.01 -0.01 -0.01 0.02 -0.00 0.00 0.02 -0.00 0.00 0.02 0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.00 0.02 -0.02 -0.03 0.03 -0.00 -0.03 -0.01 -0.01 -0.03 -0.00 -0.00 -0.06 -0.00 -0.05 -0.09 0.00 -0.04 0.37 0.36 0.01 -0.03 -0.06 0.01 0.02 0.01 -0.10 0.02 -0.01 0.07 0.03 0.02 0.04 0.01 0.01 -0.09 0.02 -0.00 -0.16 0.01 -0.02 -0.02 0.03 0.02 0.15 0.03 0.04 -0.17 0.02 -0.02 -0.02 0.03 0.02 0.06 -0.01 -0.04 -0.01 0.24 -0.02 0.00 0.13 0.13 0.00 0.22 0.34 0.03 0.00 0.00 0.02 -0.01 0.01 0.02 -0.02 0.01 0.02 -0.01 -0.00 0.02 -0.02 -0.01 0.02 -0.03 0.00 0.03 -0.03 -0.02 0.03 -0.01 -0.01 -0.01 -0.03 0.01 0.04 0.01 -0.01 0.00 -0.11 0.05 -0.09 -0.01 0.02 -0.06 -0.03 -0.04 -0.08 -0.07 -0.04 -0.13 -0.08 -0.07 -0.06 -0.12 -0.00 0.05 -0.11 0.08 0.04 -0.07 0.05 0.08 -0.25 0.27 0.06 -0.22 -0.11 -0.12 -0.06 0.08 -0.14 0.06 0.04 -0.04 0.09 -0.03 0.06 0.08 -0.02 0.02 0.00 0.02 -0.12 -0.01 -0.03 -0.10 -0.00 -0.03 0.01 -0.00 -0.01 -0.23 -0.03 -0.04 0.03 0.01 -0.01 -0.18 -0.01 -0.04 0.07 0.02 -0.01 0.01 -0.00 -0.01 0.07 0.02 -0.00 0.14 0.02 0.00 0.10 0.06 0.02 0.29 0.02 -0.23 0.10 0.02 -0.09 0.01 0.04 0.00 -0.24 -0.19 0.12 -0.08 -0.04 0.05 0.03 0.04 0.02 -0.05 -0.01 0.01 -0.02 -0.01 -0.02 0.16 0.04 -0.09 -0.10 0.10 0.10 -0.09 -0.18 -0.08 0.01 0.09 -0.05 0.09 0.18 -0.09 0.04 0.10 0.04 -0.04 0.07 -0.18 -0.01 -0.11 0.04 0.05 -0.02 -0.03 0.14 -0.04 -0.06 -0.02 0.18 -0.08 -0.11 -0.04 0.02 -0.06 -0.16 0.21 -0.13 -0.01 -0.03 -0.29 -0.01 -0.01 -0.07 -0.01 0.06 -0.09 0.08 -0.00 0.01 0.12 -0.10 -0.01 -0.13 0.02 0.01 -0.03 -0.05 0.10 0.03 0.02 -0.00 0.01 0.02 0.12 0.03 0.02 0.18 0.05 0.03 -0.04 -0.00 0.01 -0.05 0.01 0.02 0.04 0.02 0.01 0.21 0.05 0.03 -0.11 -0.02 -0.00 0.03 0.01 0.00 0.08 -0.03 -0.04 -0.23 -0.04 0.26 -0.06 -0.02 0.13 0.04 -0.05 0.00 -0.20 -0.15 0.09 -0.05 0.02 0.03 0.06 0.12 -0.02 -0.07 0.01 0.00 -0.04 0.00 -0.03 0.10 0.04 -0.08 -0.10 0.08 0.06 -0.09 -0.12 -0.08 -0.04 0.10 -0.06 0.01 0.17 -0.07 -0.02 0.11 -0.00 -0.07 0.08 -0.16 0.07 -0.06 0.05 0.11 0.03 -0.05 0.21 0.02 -0.06 0.03 0.21 -0.19 0.12 0.10 0.04 0.07 0.20 -0.12 0.13 0.12 0.03 0.28 0.10 0.13 0.01 0.00 -0.02 -0.03 -0.06 -0.17 -0.06 -0.08 -0.21 -0.01 -0.14 0.12 -0.01 0.00 -0.04 -0.08 -0.01 -0.03 -0.06 -0.01 -0.02 -0.07 -0.01 -0.02 -0.13 -0.02 -0.03 0.02 0.00 -0.01 -0.06 -0.01 -0.02 -0.02 0.01 -0.01 -0.09 -0.01 -0.02 0.04 0.01 -0.01 -0.02 -0.00 -0.01 -0.05 0.06 0.04 0.23 -0.08 0.12 0.12 -0.05 0.15 0.00 -0.07 0.11 0.02 0.01 -0.05 -0.01 -0.01 -0.04 -0.05 -0.03 -0.04 0.01 0.00 -0.03 -0.02 0.02 0.00 -0.08 0.02 0.01 -0.01 0.01 -0.02 0.00 0.05 0.04 0.02 -0.03 -0.00 -0.01 -0.08 0.01 0.01 -0.01 -0.03 0.07 -0.03 0.04 0.04 0.05 0.15 -0.01 -0.00 0.02 0.00 0.03 0.11 -0.09 -0.12 -0.34 0.09 0.16 0.21 0.10 0.09 0.24 0.08 0.29 0.03 0.06 0.26 0.39 -0.01 -0.01 -0.02 0.03 0.02 0.14 0.03 0.03 0.25 0.06 -0.07 -0.01 -0.03 -0.00 -0.07 0.13 0.03 -0.01 0.08 0.01 -0.01 -0.02 0.01 -0.04 0.25 0.06 0.01 -0.07 -0.01 -0.03 0.15 0.02 0.01 -0.10 -0.01 -0.04 -0.00 0.02 -0.04 -0.11 -0.02 -0.03 -0.15 -0.01 -0.05 -0.02 0.02 0.04 0.14 -0.05 0.02 0.07 -0.02 0.03 0.01 -0.04 0.01 0.01 0.00 0.04 -0.01 -0.02 0.06 0.05 -0.01 0.06 -0.07 -0.08 0.06 0.06 -0.01 0.00 0.19 0.04 -0.07 0.11 0.03 0.14 0.01 -0.06 -0.11 0.03 0.03 -0.01 0.17 0.16 -0.07 0.09 0.01 0.14 -0.07 0.02 -0.16 -0.08 -0.05 -0.17 -0.05 -0.01 0.02 -0.08 -0.03 -0.04 0.06 0.04 0.44 0.04 0.14 0.07 0.05 0.12 0.11 0.00 0.25 -0.07 0.03 0.22 0.22 0.03 0.01 -0.03 0.04 0.06 0.04 0.13 0.12 0.06 0.04 0.01 0.01 -0.02 -0.04 -0.01 -0.09 -0.04 0.01 -0.12 -0.04 0.01 -0.03 -0.04 0.01 -0.12 -0.03 0.01 -0.07 -0.05 0.02 -0.17 -0.05 0.02 -0.02 -0.04 0.01 -0.02 -0.04 0.01 -0.09 -0.07 0.02 0.01 -0.04 0.02 0.02 -0.01 -0.00 0.06 0.00 -0.00 0.03 0.01 0.01 0.01 0.01 0.02 0.04 0.04 0.01 0.02 0.07 0.03 -0.08 -0.01 0.06 0.14 0.18 -0.05 -0.04 -0.04 -0.03 -0.13 -0.17 0.13 -0.15 -0.11 -0.26 -0.01 -0.02 0.08 -0.15 0.05 0.02 -0.38 -0.09 0.17 -0.27 0.02 -0.27 -0.05 0.08 0.24 0.09 -0.03 -0.10 0.15 0.04 -0.04 0.19 0.03 -0.07 0.16 0.18 0.11 0.02 0.05 0.03 0.02 0.02 0.04 0.02 0.08 -0.02 0.01 0.07 0.07 -0.06 -0.04 0.06 -0.06 -0.01 0.04 -0.09 -0.03 0.03 -0.01 -0.02 -0.01 -0.00 0.03 -0.02 0.12 0.04 -0.01 0.11 0.04 -0.01 0.03 0.04 -0.02 0.18 0.05 -0.00 0.03 0.04 -0.03 0.17 0.04 -0.01 -0.01 0.03 -0.03 0.04 0.04 -0.02 0.03 0.04 -0.03 -0.04 0.02 -0.03 -0.00 -0.00 0.00 0.01 -0.02 -0.00 0.01 -0.01 -0.00 0.00 -0.02 -0.01 -0.09 -0.08 0.04 0.04 0.00 -0.02 0.02 -0.05 0.00 0.20 0.13 -0.08 -0.06 -0.05 0.02 -0.23 -0.18 0.18 -0.18 -0.14 -0.25 0.02 -0.00 0.22 0.01 -0.08 0.06 -0.25 -0.33 0.18 -0.10 -0.03 -0.22 0.22 -0.06 0.34 -0.08 -0.04 0.03 -0.09 -0.05 0.02 -0.09 -0.05 0.01 -0.09 -0.04 0.04 -0.00 0.01 0.00 0.00 0.00 0.01 -0.00 0.03 -0.02 -0.01 0.03 0.03 -0.01 0.13 0.09 -0.03 0.16 0.11 -0.04 0.16 0.01 0.01 -0.04 -0.01 0.01 0.03 -0.02 -0.15 -0.05 0.02 -0.16 -0.05 0.02 -0.04 -0.05 0.03 -0.19 -0.06 0.01 -0.08 -0.05 0.03 -0.22 -0.05 0.02 -0.04 -0.04 0.02 -0.04 -0.05 0.03 -0.10 -0.06 0.04 -0.04 -0.04 0.03 0.09 -0.10 -0.02 -0.00 -0.02 0.02 -0.00 -0.01 0.01 -0.00 -0.02 -0.01 -0.04 0.05 -0.01 0.03 -0.06 -0.07 0.11 -0.10 -0.04 0.04 -0.09 -0.04 -0.02 0.03 0.06 -0.18 0.06 0.04 0.02 -0.01 0.03 0.04 0.12 0.16 0.20 -0.19 0.05 0.20 -0.32 -0.01 0.22 -0.13 0.11 0.29 -0.19 0.14 -0.04 0.10 -0.02 -0.05 0.11 -0.09 -0.05 0.08 -0.18 -0.04 0.16 -0.00 0.01 0.05 0.01 0.01 0.05 -0.01 0.01 0.08 -0.03 0.03 0.07 0.06 -0.04 -0.07 -0.07 -0.03 -0.03 -0.05 -0.05 -0.03 0.12 -0.05 -0.04 -0.03 0.16 0.07 -0.10 -0.22 -0.12 0.04 -0.25 -0.11 0.07 0.05 -0.10 0.09 -0.35 -0.14 0.03 0.04 -0.10 0.10 -0.37 -0.12 0.07 0.10 -0.08 0.09 0.01 -0.11 0.10 -0.02 -0.13 0.10 0.09 -0.08 0.09 -0.20 0.15 0.07 -0.13 -0.02 0.06 -0.07 -0.02 0.01 -0.00 -0.04 -0.05 -0.04 -0.07 0.04 0.02 0.00 0.06 0.03 0.01 0.05 0.05 0.03 0.03 0.04 -0.08 -0.00 0.11 -0.13 0.05 -0.00 -0.08 -0.05 0.02 -0.12 -0.04 -0.01 0.03 0.02 -0.04 0.02 0.06 -0.03 0.03 -0.03 0.01 0.03 0.04 -0.09 -0.05 -0.08 -0.07 -0.04 0.08 -0.08 -0.02 0.12 -0.03 -0.05 0.24 0.01 -0.01 -0.04 -0.01 0.02 -0.14 0.04 -0.03 -0.01 0.08 -0.03 -0.04 -0.00 -0.13 -0.11 0.01 -0.14 -0.11 -0.02 -0.15 0.05 -0.03 -0.07 -0.01 0.02 0.14 -0.00 -0.16 -0.01 0.01 -0.03 0.02 0.04 -0.18 -0.01 0.00 -0.23 -0.00 0.01 -0.01 0.03 0.04 0.04 0.03 0.05 -0.17 0.00 0.01 -0.31 -0.03 -0.01 0.03 0.03 0.05 -0.27 0.00 0.01 0.23 -0.21 -0.09 -0.02 -0.05 0.04 0.00 -0.04 0.02 -0.01 -0.06 -0.02 0.06 -0.04 0.00 0.00 0.03 0.07 -0.05 0.07 0.03 -0.01 0.04 0.06 0.06 -0.07 -0.03 0.21 -0.11 -0.00 0.03 -0.05 -0.02 0.00 -0.15 -0.15 -0.12 0.10 -0.00 -0.10 0.19 0.04 -0.13 0.05 -0.02 -0.19 0.11 -0.05 -0.04 -0.09 -0.01 -0.03 -0.10 0.12 -0.04 -0.06 0.23 -0.02 -0.19 0.14 0.02 0.03 0.02 0.01 0.05 -0.00 0.01 0.07 -0.03 0.05 0.06 0.08 0.07 0.01 0.16 0.09 -0.01 0.18 0.02 -0.08 -0.00 0.03 0.01 -0.01 0.10 0.00 0.03 0.05 0.01 -0.05 -0.06 0.01 -0.07 -0.09 -0.01 -0.08 0.15 0.03 -0.04 -0.27 -0.00 -0.08 -0.05 0.00 -0.10 -0.29 -0.04 -0.09 -0.13 -0.01 -0.10 -0.39 -0.00 -0.10 -0.39 -0.05 -0.10 -0.04 0.02 0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.01 0.01 0.00 -0.00 -0.02 -0.04 -0.01 -0.01 -0.01 -0.04 -0.05 0.02 -0.06 -0.02 0.00 -0.04 -0.07 0.10 0.02 -0.18 0.15 -0.03 -0.06 0.10 0.04 -0.03 0.14 0.12 -0.06 0.03 -0.07 -0.08 0.07 -0.03 -0.08 0.03 -0.10 -0.07 0.03 -0.10 0.06 -0.02 0.10 -0.00 -0.09 -0.08 -0.05 -0.13 -0.21 -0.01 -0.14 -0.11 -0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.02 -0.02 -0.00 0.01 -0.00 0.06 -0.02 0.15 0.07 -0.04 0.16 0.04 -0.09 0.05 0.02 0.00 -0.01 -0.04 0.03 -0.05 -0.05 -0.03 0.04 0.00 -0.02 0.05 0.05 -0.01 0.06 -0.09 -0.04 0.03 0.14 -0.01 0.06 0.00 -0.02 0.07 0.14 0.01 0.06 0.06 -0.02 0.07 0.19 -0.02 0.07 0.17 0.01 0.06 0.01 -0.01 0.00 -0.00 -0.01 -0.02 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.05 0.02 0.00 0.02 -0.02 -0.04 0.03 -0.05 -0.01 -0.03 -0.02 -0.06 -0.12 0.18 0.07 -0.37 0.29 -0.04 -0.07 0.18 0.11 -0.02 0.30 0.27 -0.10 0.04 -0.12 -0.12 0.13 -0.05 -0.12 0.03 -0.17 -0.13 0.03 -0.19 0.03 -0.07 0.07 -0.00 -0.11 -0.06 -0.04 -0.15 -0.18 0.02 -0.11 0.01 -0.00 0.02 -0.01 -0.00 0.02 -0.01 -0.01 0.04 -0.04 0.01 0.04 0.02 -0.05 -0.03 -0.14 -0.06 -0.03 -0.18 0.00 0.04 -0.01 -0.06 -0.00 0.01 0.03 -0.04 0.01 -0.04 0.05 -0.00 0.06 0.05 0.01 -0.13 0.02 -0.02 -0.07 0.06 -0.00 0.01 0.05 0.00 0.10 0.06 0.02 -0.10 0.03 -0.00 -0.17 0.02 -0.04 0.00 0.06 -0.01 -0.12 0.04 0.01 0.00 0.01 -0.00 -0.01 0.01 0.02 -0.01 0.01 0.01 -0.01 0.01 -0.01 -0.03 0.01 0.07 0.02 -0.02 0.03 0.22 -0.15 0.15 -0.02 -0.02 -0.07 -0.13 0.18 0.08 -0.42 0.27 -0.00 -0.08 0.16 0.08 -0.01 0.32 0.31 -0.05 0.01 -0.09 -0.07 0.05 -0.04 -0.06 0.01 -0.13 -0.05 -0.00 -0.12 -0.02 -0.01 -0.10 0.04 0.05 0.08 0.09 0.09 0.22 0.03 0.08 0.08 0.01 -0.02 0.01 0.00 -0.03 -0.01 0.02 -0.05 0.04 0.00 -0.04 -0.03 -0.03 -0.05 -0.09 -0.04 -0.03 -0.10 -0.01 -0.01 -0.02 -0.05 -0.01 0.02 -0.03 0.08 0.06 0.19 -0.10 -0.05 -0.17 -0.11 -0.11 0.31 -0.05 -0.03 0.32 -0.13 -0.05 -0.20 -0.12 -0.09 -0.28 -0.13 -0.15 0.09 -0.10 -0.09 0.39 -0.04 -0.02 -0.23 -0.14 -0.09 0.12 -0.13 -0.12 -0.00 -0.01 -0.01 0.02 -0.01 -0.01 0.02 -0.01 0.00 -0.01 -0.02 0.01 0.04 0.03 0.00 0.02 -0.00 0.01 0.08 -0.05 0.05 -0.01 -0.01 -0.01 -0.04 0.06 0.04 -0.14 0.10 0.00 -0.02 0.06 0.05 0.00 0.11 0.12 -0.03 0.01 -0.03 -0.04 0.05 -0.01 -0.04 0.01 -0.06 -0.05 0.01 -0.07 -0.02 -0.04 -0.03 0.02 0.00 0.06 0.06 0.03 0.16 -0.00 -0.00 0.00 0.01 0.01 0.02 0.01 0.01 0.05 -0.02 0.03 -0.01 -0.00 0.03 0.05 -0.01 -0.01 -0.01 -0.01 -0.01 -0.02 0.01 -0.01 -0.01 0.08 0.28 0.22 0.01 -0.00 0.01 -0.01 0.00 0.00 0.02 0.01 0.01 0.00 0.00 0.01 -0.03 -0.00 0.00 0.00 0.01 -0.00 0.03 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.11 -0.05 -0.17 -0.06 -0.14 -0.06 0.11 -0.04 0.20 0.00 0.02 0.01 -0.02 0.02 0.01 0.01 0.01 0.03 -0.03 0.02 -0.02 -0.03 0.01 -0.05 -0.01 -0.00 -0.03 -0.03 0.01 -0.05 -0.04 0.00 -0.07 0.03 -0.02 0.01 0.05 -0.08 -0.04 0.05 -0.01 0.07 0.05 -0.02 0.06 0.01 -0.01 0.00 0.02 -0.01 0.00 0.02 -0.01 -0.00 0.00 -0.01 -0.05 -0.04 0.15 -0.08 -0.06 0.28 -0.17 -0.14 0.39 -0.41 0.16 0.31 0.32 0.04 0.06 -0.03 0.03 0.04 -0.03 -0.03 0.02 -0.01 0.04 0.06 0.04 -0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -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 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.04 -0.02 -0.03 -0.01 0.02 -0.01 0.05 -0.05 -0.12 -0.05 0.06 -0.10 -0.04 -0.00 -0.04 -0.10 0.14 -0.07 0.10 0.12 -0.05 0.21 0.03 0.01 0.16 0.12 -0.03 0.23 0.16 -0.01 0.30 -0.13 0.11 -0.05 -0.24 0.38 0.17 -0.22 0.07 -0.29 -0.24 0.09 -0.26 -0.02 0.12 -0.03 -0.07 0.07 -0.01 -0.12 0.08 0.02 -0.05 -0.03 0.00 -0.01 0.03 -0.02 -0.02 0.06 -0.05 -0.02 0.09 -0.09 0.04 0.07 0.07 0.20 0.17 -0.08 0.28 -0.08 -0.04 0.10 -0.21 0.03 0.06 -0.01 -0.03 -0.03 0.01 0.00 0.00 -0.02 0.00 -0.04 -0.02 -0.00 0.01 -0.01 0.01 0.02 -0.03 0.00 -0.01 -0.02 0.01 -0.03 -0.02 -0.00 0.05 -0.01 0.01 0.01 -0.02 0.02 0.01 -0.03 0.01 0.06 -0.02 0.01 0.01 0.00 -0.01 0.01 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 -0.20 -0.24 0.11 -0.11 -0.02 0.08 0.04 0.02 0.08 -0.04 0.08 -0.06 -0.08 0.04 -0.11 -0.05 0.01 -0.08 -0.10 0.03 -0.15 -0.09 0.02 -0.12 0.04 -0.03 0.02 0.07 -0.18 -0.08 0.08 -0.01 0.11 0.11 -0.02 0.14 0.11 0.26 -0.10 -0.10 0.03 0.01 -0.38 0.06 0.07 0.05 -0.41 0.12 0.00 -0.01 0.00 0.00 -0.01 0.00 0.01 -0.02 0.02 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.01 -0.54 0.07 0.17 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 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 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.10 0.01 0.04 0.23 -0.02 -0.14 -0.05 -0.01 0.03 -0.00 -0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 -0.01 -0.03 -0.01 -0.01 -0.04 0.02 0.00 0.01 0.15 -0.07 0.58 -0.31 0.04 -0.15 -0.31 0.06 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.02 -0.05 -0.02 -0.00 0.00 -0.00 -0.26 -0.02 -0.03 0.29 0.03 0.04 0.15 -0.00 0.03 -0.50 -0.05 -0.05 -0.23 -0.02 -0.05 0.49 0.06 0.05 0.06 -0.01 -0.01 0.24 0.01 0.04 -0.41 -0.04 -0.08 0.10 -0.02 -0.02 -0.00 0.01 0.00 0.01 0.01 -0.00 0.00 0.01 0.02 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.02 -0.00 -0.01 0.00 0.01 -0.00 0.02 0.01 -0.01 0.01 0.03 -0.01 0.04 0.02 -0.01 0.01 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02 0.05 0.02 0.01 0.01 -0.00 0.11 0.02 0.02 0.01 -0.00 -0.01 -0.30 -0.04 -0.01 0.27 0.05 0.03 -0.22 -0.04 -0.02 0.08 0.00 -0.03 0.34 0.04 0.05 -0.49 -0.07 -0.02 -0.34 -0.06 -0.03 0.51 0.05 0.07 0.01 -0.01 -0.00 0.00 -0.02 0.02 -0.00 0.00 -0.01 0.01 0.02 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.01 0.00 0.01 -0.01 0.01 -0.00 0.01 0.00 -0.01 0.00 -0.02 -0.01 -0.00 -0.02 -0.01 -0.00 -0.01 -0.01 -0.00 -0.03 0.05 0.06 0.17 -0.01 -0.01 -0.07 -0.03 -0.02 -0.08 -0.00 -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 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.02 0.01 -0.01 0.00 -0.00 -0.01 -0.00 0.04 0.04 0.24 0.05 -0.03 0.10 -0.20 0.19 -0.05 0.09 -0.10 -0.09 0.02 0.00 0.04 -0.14 0.14 -0.09 -0.02 0.09 0.15 0.09 0.01 0.27 0.05 -0.18 -0.22 0.01 -0.12 -0.18 0.03 -0.18 -0.26 0.03 -0.18 -0.23 -0.04 -0.04 -0.18 0.02 0.05 0.13 0.10 0.15 0.46 0.00 0.00 0.03 0.01 0.00 0.01 0.01 0.01 0.02 -0.00 0.01 -0.00 0.01 0.01 0.03 -0.01 -0.02 -0.04 -0.06 -0.05 -0.23 0.06 0.08 0.24 -0.01 -0.26 -0.06 0.00 -0.00 0.01 0.02 0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.01 0.00 -0.00 -0.02 -0.00 -0.01 -0.01 -0.00 -0.01 0.05 0.02 0.01 -0.00 0.00 -0.00 -0.06 0.12 -0.12 0.01 -0.02 0.06 -0.04 -0.09 -0.05 0.02 0.00 0.06 -0.00 -0.02 0.05 -0.04 0.06 -0.00 0.03 -0.02 -0.03 0.00 0.00 0.01 -0.04 0.04 -0.02 -0.01 0.02 0.04 0.03 0.00 0.09 0.01 -0.05 -0.07 0.00 -0.04 -0.06 0.01 -0.05 -0.08 0.01 -0.05 -0.07 0.03 0.05 0.15 -0.05 -0.05 -0.21 -0.15 -0.16 -0.59 0.08 0.10 0.34 0.07 -0.00 0.11 0.06 0.03 0.09 0.05 0.03 0.07 0.11 0.02 0.19 0.01 0.02 0.05 0.04 0.03 0.13 -0.03 -0.05 -0.13 0.04 -0.51 -0.12 0.01 -0.01 0.00 0.02 0.00 0.01 -0.02 0.01 0.00 -0.04 -0.01 0.00 0.06 0.01 0.02 0.01 0.01 0.00 -0.03 0.00 -0.00 0.02 0.00 0.01 -0.03 -0.00 0.00 -0.01 0.00 0.00 0.04 0.01 0.01 -0.00 0.00 -0.00 -0.10 0.22 -0.22 0.02 -0.04 0.10 -0.06 -0.15 -0.09 -0.02 -0.00 -0.05 -0.00 0.01 -0.04 0.04 -0.05 -0.00 -0.03 0.02 0.03 -0.01 -0.00 -0.01 0.04 -0.04 0.02 0.01 -0.02 -0.04 -0.03 -0.00 -0.08 -0.01 0.05 0.07 -0.00 0.04 0.05 -0.01 0.05 0.08 -0.01 0.05 0.07 -0.02 -0.04 -0.08 0.03 0.02 0.11 0.10 0.10 0.39 -0.02 -0.04 -0.09 0.12 -0.00 0.19 0.11 0.05 0.17 0.09 0.06 0.10 0.19 0.05 0.33 0.06 0.16 0.40 -0.07 -0.14 -0.29 0.07 -0.04 0.08 -0.13 0.04 0.05 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.03 -0.01 -0.00 -0.01 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.02 0.00 -0.01 -0.00 -0.00 -0.00 0.03 0.01 0.01 0.00 0.00 -0.00 0.01 -0.02 0.02 -0.01 -0.00 0.00 0.02 0.01 0.01 -0.08 0.07 -0.01 -0.01 -0.01 -0.14 0.04 -0.10 -0.10 -0.04 0.03 0.04 -0.00 -0.01 -0.02 0.08 -0.07 0.04 0.02 -0.05 -0.07 -0.05 -0.01 -0.15 -0.02 0.10 0.14 -0.02 0.10 0.14 -0.02 0.10 0.13 -0.02 0.09 0.12 0.01 -0.05 -0.12 0.02 -0.05 -0.06 0.12 0.09 0.41 0.17 0.07 0.44 -0.02 0.00 -0.02 -0.02 -0.00 -0.05 0.00 -0.01 0.00 -0.00 -0.01 -0.03 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.01 0.00 -0.02 0.81 0.05 -0.23 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.05 0.00 0.01 -0.00 -0.00 0.00 0.02 0.01 0.01 -0.00 0.00 -0.00 -0.03 -0.00 0.02 0.06 -0.01 -0.04 -0.07 0.02 0.03 0.00 -0.01 -0.00 0.02 0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.03 -0.02 -0.01 -0.06 0.10 0.10 0.34 0.06 0.07 0.29 0.02 -0.01 -0.01 0.05 0.00 0.13 -0.07 0.02 -0.08 -0.04 0.02 0.02 0.04 -0.03 0.01 0.01 0.04 -0.01 -0.03 0.04 0.00 -0.47 -0.04 0.14 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.04 -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.00 -0.01 -0.03 0.01 0.02 0.04 -0.00 -0.01 -0.03 -0.18 -0.03 0.42 0.39 -0.10 -0.14 -0.08 0.12 -0.11 -0.08 0.03 -0.02 0.00 -0.02 -0.03 0.04 -0.06 0.04 0.02 0.06 -0.01 0.04 -0.03 -0.01 -0.03 -0.04 0.02 -0.08 -0.08 0.03 -0.03 0.04 0.00 -0.03 -0.02 -0.01 0.03 0.03 -0.05 0.00 -0.09 0.10 0.15 0.40 0.02 0.07 0.24 -0.01 0.01 -0.00 -0.03 -0.01 -0.07 0.04 -0.01 0.04 0.02 -0.01 -0.02 0.00 -0.02 -0.03 0.02 0.03 0.04 -0.01 0.01 -0.03 -0.46 -0.04 0.14 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.04 -0.01 -0.01 0.01 -0.00 0.01 0.01 0.02 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.03 0.01 0.02 0.04 -0.01 -0.01 0.03 -0.00 -0.02 -0.08 -0.07 0.05 0.02 0.03 0.00 0.02 0.02 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.02 0.01 -0.01 0.00 -0.00 0.02 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 0.04 -0.04 -0.03 -0.13 0.20 0.21 0.68 0.09 0.10 0.38 -0.01 0.01 -0.00 -0.03 -0.00 -0.06 0.02 -0.01 0.03 0.01 -0.01 -0.02 0.24 -0.10 0.19 0.04 0.12 -0.15 -0.15 0.21 0.00 0.13 0.01 -0.03 -0.00 -0.01 0.01 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.04 -0.00 -0.01 0.00 -0.00 -0.00 -0.05 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.01 -0.02 0.00 -0.01 -0.02 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.01 0.00 0.01 0.30 -0.30 -0.08 0.01 -0.17 0.12 0.02 0.04 0.01 -0.01 0.03 -0.01 -0.13 0.09 -0.19 -0.16 0.10 -0.21 -0.15 0.10 -0.18 -0.13 0.07 -0.15 -0.03 0.09 0.08 0.02 -0.00 0.01 0.00 0.10 0.18 0.01 0.10 0.16 -0.16 -0.03 -0.01 -0.09 0.13 0.05 0.07 0.02 -0.27 -0.22 0.06 -0.11 0.00 -0.00 -0.01 0.01 0.00 0.01 -0.01 0.00 -0.02 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.02 -0.00 0.01 0.00 -0.00 0.00 -0.05 -0.09 0.06 -0.06 -0.05 0.07 -0.02 -0.11 -0.11 0.38 0.14 0.14 -0.04 0.10 0.09 0.56 -0.01 -0.06 -0.00 0.13 -0.14 0.45 -0.10 0.04 0.23 0.01 0.19 0.20 0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.02 -0.01 -0.06 0.01 0.03 0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.02 -0.01 0.35 -0.03 0.36 -0.01 0.01 -0.24 0.01 -0.08 -0.20 0.32 0.04 0.00 -0.25 -0.13 0.33 -0.17 0.03 -0.12 -0.10 0.08 -0.06 -0.31 0.06 -0.33 -0.09 -0.03 0.19 0.21 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 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 -0.04 0.01 0.00 0.03 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.08 0.04 -0.03 -0.09 0.03 -0.06 -0.01 0.07 0.07 0.53 -0.05 -0.00 0.01 -0.06 -0.07 0.72 0.16 0.19 0.00 -0.08 0.07 0.07 0.13 -0.01 0.19 0.02 -0.08 -0.02 -0.07 0.08 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.02 0.02 0.05 -0.02 -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 0.01 0.00 0.03 -0.04 -0.00 0.01 0.00 0.01 0.00 0.00 0.02 -0.02 0.04 0.00 -0.02 -0.11 0.00 0.01 0.01 -0.02 -0.02 0.01 -0.04 -0.02 -0.28 -0.03 -0.00 -0.04 -0.03 0.03 0.83 0.12 0.14 0.02 -0.01 -0.03 0.34 -0.01 0.06 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.02 0.03 0.11 -0.04 -0.03 -0.20 -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 -0.01 -0.02 0.00 0.01 0.01 -0.03 -0.03 -0.12 -0.09 -0.05 0.04 0.00 0.00 -0.00 -0.00 0.01 -0.02 0.01 -0.00 -0.01 -0.02 0.02 0.01 0.01 -0.01 -0.02 -0.00 -0.02 -0.01 -0.04 0.00 0.04 -0.03 -0.02 0.02 0.15 0.04 0.04 0.09 0.00 -0.01 0.17 0.02 0.06 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.01 0.01 -0.00 0.01 0.01 0.01 0.05 0.02 -0.01 -0.02 -0.01 -0.01 -0.03 0.00 -0.01 0.00 -0.01 0.01 -0.02 -0.02 0.01 -0.03 -0.01 0.01 -0.01 -0.01 0.01 -0.02 -0.00 0.02 0.03 -0.00 0.03 0.04 -0.00 0.02 0.02 -0.00 0.01 0.01 0.01 0.00 0.02 0.01 0.02 0.06 -0.10 -0.11 -0.39 0.19 0.18 0.79 -0.01 0.00 -0.01 -0.01 0.00 -0.02 -0.01 0.00 -0.02 -0.01 0.00 -0.02 -0.04 -0.05 -0.17 0.01 0.02 0.04 -0.00 0.03 0.07 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.02 0.01 0.01 0.01 0.01 0.01 -0.01 -0.00 -0.02 0.01 0.01 -0.01 0.02 -0.01 0.00 -0.08 -0.00 -0.00 -0.09 -0.02 -0.03 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.04 0.05 0.34 0.14 -0.08 -0.10 -0.04 -0.08 -0.23 0.02 -0.08 0.00 -0.09 0.04 -0.15 -0.15 0.11 -0.23 -0.08 0.06 -0.08 -0.07 0.05 -0.10 -0.00 0.12 0.19 -0.04 0.22 0.27 -0.03 0.12 0.12 -0.03 0.10 0.09 0.03 0.03 0.01 -0.03 -0.02 -0.05 0.04 0.10 0.34 -0.13 -0.10 -0.42 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.02 0.03 -0.01 0.00 -0.00 -0.00 0.04 0.01 0.01 0.01 0.01 -0.00 0.03 0.02 0.03 -0.25 -0.04 -0.02 -0.11 -0.01 -0.01 -0.01 0.00 -0.01 -0.05 -0.01 -0.01 -0.22 -0.03 0.02 0.81 0.05 0.14 0.42 0.03 0.04 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.04 -0.02 -0.01 -0.11 0.01 -0.00 0.01 0.01 -0.00 0.02 0.01 -0.00 0.01 0.01 0.00 0.02 -0.07 -0.09 0.03 0.07 -0.19 0.05 0.36 -0.05 -0.08 -0.01 0.11 -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 0.03 -0.00 -0.00 0.01 -0.00 -0.00 -0.02 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.04 -0.01 -0.01 0.00 0.01 0.01 0.00 0.00 -0.00 -0.01 -0.02 -0.01 -0.02 -0.00 -0.02 -0.00 0.02 -0.01 -0.03 -0.01 0.03 0.01 0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.31 -0.04 0.09 0.02 0.39 -0.11 0.23 0.37 -0.16 0.26 -0.46 0.07 0.02 -0.00 0.04 0.02 -0.01 0.04 0.03 -0.01 0.05 0.03 -0.00 0.05 0.00 0.00 0.00 -0.01 0.01 0.00 -0.04 -0.00 -0.01 -0.12 0.55 -0.05 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.08 0.01 0.01 0.01 0.00 0.00 -0.05 -0.01 -0.00 0.00 0.00 -0.00 0.07 0.00 0.02 -0.07 -0.00 -0.01 -0.03 -0.00 -0.01 -0.00 0.00 0.00 -0.05 -0.19 -0.09 -0.12 -0.03 -0.12 -0.01 0.20 -0.08 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 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 0.03 0.01 -0.01 0.01 -0.03 0.01 -0.03 -0.04 -0.02 0.01 0.08 0.12 0.15 -0.03 0.24 0.16 -0.03 0.30 0.18 -0.06 0.30 0.22 0.00 0.36 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.12 -0.02 -0.01 0.08 0.01 0.02 0.03 0.01 0.01 0.77 0.02 0.07 -0.01 0.01 -0.00 -0.53 -0.07 -0.09 -0.01 -0.00 -0.01 -0.22 -0.02 -0.03 0.12 0.03 0.02 0.11 -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -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 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 0.02 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.02 0.02 -0.02 -0.00 0.01 0.03 0.02 -0.00 -0.01 -0.05 0.01 0.06 0.02 0.00 0.14 0.02 0.03 -0.10 -0.02 -0.01 -0.26 -0.00 -0.08 -0.47 0.00 -0.10 0.80 0.02 0.06 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 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 -0.02 0.00 0.01 -0.00 0.04 -0.07 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.01 -0.03 -0.02 0.01 0.02 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.07 -0.05 -0.01 -0.06 0.08 0.03 -0.11 -0.02 0.00 0.48 0.01 0.01 -0.01 -0.12 -0.09 -0.01 0.52 -0.01 0.03 0.03 -0.03 -0.22 0.13 0.02 0.22 -0.24 -0.02 0.34 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 0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.00 0.01 0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.03 0.02 -0.03 -0.01 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.01 -0.00 0.02 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.02 -0.01 0.00 -0.00 0.00 -0.09 0.01 0.03 0.03 0.09 -0.07 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.01 0.11 0.04 -0.06 0.17 0.13 -0.08 -0.08 0.03 0.02 -0.01 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.02 -0.01 -0.01 0.02 0.01 -0.04 0.01 0.01 0.15 0.00 0.01 -0.00 -0.03 -0.03 0.01 0.17 -0.01 0.01 -0.01 -0.03 -0.13 0.17 -0.03 0.04 -0.06 0.10 0.05 0.04 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.03 0.03 0.09 -0.05 0.04 -0.08 0.02 -0.04 -0.04 -0.06 0.07 -0.01 0.03 0.01 0.10 0.23 -0.16 0.27 0.08 -0.10 -0.04 -0.05 -0.03 -0.13 -0.01 -0.02 -0.06 0.02 -0.14 -0.16 0.02 -0.03 0.02 0.03 -0.01 0.02 -0.06 -0.13 0.06 -0.01 -0.01 0.00 0.49 -0.07 -0.10 -0.21 -0.41 0.10 -0.00 -0.01 0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.02 0.02 0.00 0.03 -0.01 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.03 -0.08 -0.01 0.09 -0.02 0.00 -0.03 0.08 0.06 -0.04 -0.10 0.02 -0.06 0.02 0.02 0.11 0.10 -0.02 0.06 -0.07 -0.08 -0.34 0.64 -0.08 -0.56 0.24 0.03 0.04 -0.10 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.02 0.01 -0.02 -0.01 0.01 0.01 0.01 0.00 0.01 0.00 0.00 0.01 -0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.03 0.00 0.01 0.01 0.02 -0.01 -0.00 0.01 0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.02 -0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.09 0.13 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.01 0.01 -0.01 0.00 0.03 -0.01 -0.00 -0.02 -0.01 -0.00 0.00 0.00 -0.03 -0.02 -0.04 0.01 0.00 -0.04 0.01 -0.07 0.04 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 0.01 0.02 -0.02 0.03 0.01 -0.01 -0.01 -0.01 -0.00 -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 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.01 0.01 0.17 0.03 0.02 -0.27 0.00 0.26 -0.22 0.59 -0.23 -0.10 -0.58 0.01 0.03 -0.01 0.02 0.03 -0.02 -0.01 -0.01 0.01 0.05 -0.07 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 -0.00 -0.00 -0.00 0.00 -0.02 0.03 -0.00 0.04 -0.02 0.02 -0.02 -0.02 0.00 -0.00 -0.00 0.02 -0.01 -0.02 -0.15 0.01 0.08 0.03 -0.01 0.00 -0.04 0.02 -0.03 0.01 -0.00 0.03 -0.01 0.02 0.02 0.03 -0.04 -0.01 -0.00 -0.02 -0.04 -0.14 0.09 -0.16 -0.03 0.05 0.06 0.05 0.01 0.11 0.01 0.01 0.04 -0.02 0.09 0.11 -0.01 0.01 -0.03 -0.02 -0.00 -0.03 -0.01 -0.03 0.01 0.01 -0.01 0.00 0.13 -0.02 -0.03 -0.05 -0.16 0.04 0.13 0.02 -0.09 0.27 -0.08 0.58 -0.36 -0.09 -0.11 -0.42 0.11 -0.15 -0.01 -0.06 0.02 -0.03 -0.07 0.03 0.01 0.03 -0.01 0.01 -0.03 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 -0.10 -0.03 -0.00 -0.02 0.00 -0.01 0.00 0.02 -0.00 0.02 0.01 0.01 0.06 -0.10 0.01 -0.16 0.07 -0.05 0.15 0.13 0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.08 0.01 0.04 0.01 -0.00 -0.00 0.07 -0.04 0.07 -0.02 0.01 -0.04 0.02 -0.04 -0.05 -0.05 0.07 0.01 0.00 0.04 0.09 0.28 -0.19 0.32 0.07 -0.11 -0.12 -0.11 -0.02 -0.23 -0.03 -0.02 -0.07 0.04 -0.18 -0.21 0.03 -0.02 0.06 0.05 -0.00 0.05 0.01 0.06 -0.02 -0.02 0.01 0.00 -0.26 0.04 0.06 0.10 0.36 -0.11 0.06 -0.00 -0.04 0.13 -0.02 0.29 -0.21 -0.03 -0.09 -0.20 0.06 -0.04 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.07 0.02 -0.00 -0.00 0.07 -0.03 0.06 0.01 0.02 -0.66 -0.08 -0.01 0.01 -0.06 -0.11 0.07 0.66 0.02 0.05 -0.07 0.01 0.08 0.01 0.02 0.15 -0.13 -0.05 -0.05 -0.19 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.01 0.00 0.00 0.01 -0.00 0.01 0.02 0.03 -0.01 0.04 0.01 -0.01 -0.01 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.03 0.01 -0.01 0.00 0.01 0.02 -0.05 0.04 -0.21 -0.06 -0.00 -0.05 0.01 -0.02 -0.01 0.04 -0.02 0.07 0.04 0.01 0.19 -0.37 0.00 -0.45 0.20 -0.06 0.49 0.46 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.03 0.01 -0.01 0.00 0.00 0.01 -0.00 0.01 0.01 0.01 -0.02 -0.01 0.00 -0.01 -0.02 -0.07 0.05 -0.08 -0.01 0.03 0.04 0.03 0.00 0.07 0.01 0.01 0.02 -0.01 0.03 0.04 -0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.03 -0.02 0.01 0.00 -0.02 0.00 0.10 -0.03 -0.01 0.00 0.07 -0.05 -0.01 0.00 0.01 -0.02 -0.00 -0.04 0.04 -0.00 0.03 0.02 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.00 0.02 -0.01 -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.01 -0.01 -0.03 0.01 -0.05 0.07 -0.09 0.02 -0.23 0.17 -0.23 0.01 0.08 0.26 0.20 -0.00 0.34 -0.07 0.09 -0.02 0.08 -0.38 -0.37 0.08 0.01 0.35 0.16 0.13 0.38 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.00 0.01 0.01 0.05 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.06 0.04 -0.03 0.12 -0.08 -0.01 0.01 0.05 -0.02 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.05 0.02 -0.00 0.01 0.00 -0.00 -0.00 -0.04 0.01 -0.02 -0.01 -0.00 -0.05 0.11 0.01 0.12 -0.06 -0.04 -0.14 -0.14 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.04 0.02 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.00 0.00 -0.01 -0.01 -0.04 0.03 -0.05 0.01 0.01 0.04 0.02 0.01 0.03 0.02 -0.00 0.02 -0.02 0.06 0.08 -0.02 -0.01 -0.06 -0.04 -0.00 -0.03 -0.12 0.00 0.03 0.02 -0.10 0.02 0.06 -0.11 0.01 0.23 0.84 -0.23 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.08 0.05 -0.02 -0.10 -0.13 0.19 -0.36 0.13 -0.34 0.09 -0.26 0.29 -0.08 -0.05 0.04 0.16 0.11 -0.10 0.02 0.40 0.29 0.18 -0.22 -0.35 -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 -0.00 0.00 -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 0.03 0.03 -0.19 -0.01 0.20 -0.03 0.04 -0.21 -0.11 0.10 -0.39 -0.28 -0.04 0.10 0.21 -0.05 0.29 0.42 0.01 -0.12 0.11 0.07 -0.15 -0.27 -0.00 0.33 0.15 0.08 -0.16 0.11 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.07 0.34 -0.09 0.22 -0.13 -0.02 0.02 -0.07 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.04 -0.01 0.00 0.00 0.01 0.01 0.00 0.03 -0.00 0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.01 -0.01 0.06 -0.05 0.04 -0.01 0.00 -0.01 -0.01 -0.01 0.01 -0.01 0.04 0.01 0.06 -0.06 0.10 -0.05 -0.01 -0.12 -0.05 -0.03 -0.08 -0.01 0.02 -0.03 -0.02 -0.11 -0.07 0.03 -0.07 0.06 0.01 0.07 0.16 -0.13 0.00 0.03 0.05 -0.15 0.03 -0.71 -0.07 0.21 0.28 -0.02 -0.07 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.02 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.01 0.02 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.02 -0.01 0.00 -0.01 -0.00 0.08 0.06 -0.01 -0.08 -0.06 0.02 0.09 0.15 -0.23 0.35 -0.12 0.34 -0.06 0.28 -0.25 -0.08 -0.06 0.03 0.18 0.11 -0.13 0.02 0.39 0.26 0.21 -0.23 -0.34 -0.01 -0.00 0.00 0.00 -0.01 0.00 -0.04 -0.01 0.01 0.02 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.05 -0.02 -0.04 -0.05 0.03 -0.03 -0.04 0.02 -0.00 0.10 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.02 -0.00 -0.04 0.02 -0.04 0.14 -0.11 0.10 -0.02 0.01 -0.02 0.04 -0.03 0.04 -0.05 0.07 0.01 0.15 -0.07 0.13 0.01 -0.06 -0.16 -0.15 0.02 -0.25 -0.05 0.03 -0.06 0.03 -0.18 -0.22 0.07 0.01 0.27 0.14 0.06 0.23 -0.05 0.09 -0.01 0.09 -0.06 -0.01 0.67 -0.14 -0.14 -0.04 -0.08 0.04 0.00 -0.01 0.00 0.00 0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 0.02 -0.03 0.02 0.02 -0.11 0.05 0.02 0.02 -0.07 0.01 0.03 0.24 -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 0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.01 0.02 0.01 -0.01 0.01 0.00 -0.00 -0.04 -0.01 0.12 -0.10 0.07 -0.14 0.11 -0.11 0.02 -0.02 0.01 -0.05 0.04 -0.02 0.05 -0.05 -0.01 -0.13 0.03 -0.08 -0.02 0.06 0.14 0.13 -0.04 0.24 0.04 -0.03 0.04 -0.01 0.11 0.15 -0.07 -0.03 -0.26 -0.12 -0.05 -0.21 -0.11 0.18 -0.02 0.14 -0.11 -0.00 0.61 -0.18 -0.11 -0.00 -0.19 0.06 0.01 -0.01 -0.00 0.01 0.01 0.01 -0.03 0.00 -0.03 -0.01 0.01 0.03 0.01 -0.19 0.06 0.11 0.02 -0.03 -0.03 0.09 -0.03 -0.00 0.84 -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 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.03 0.07 0.04 -0.04 0.04 -0.04 -0.01 -0.13 -0.02 -0.07 0.06 -0.01 0.02 -0.01 0.02 -0.00 0.00 -0.00 -0.01 -0.00 -0.04 0.00 -0.01 0.02 0.01 0.01 -0.01 0.02 -0.01 0.02 0.00 0.02 -0.02 0.01 -0.00 0.02 -0.00 0.05 0.05 -0.00 0.03 -0.01 -0.02 -0.00 -0.01 -0.01 0.06 -0.02 0.05 -0.04 -0.00 -0.27 0.00 0.08 -0.10 -0.21 0.11 0.01 -0.03 0.00 0.01 0.07 0.04 0.01 0.01 -0.04 0.04 0.03 0.14 0.01 0.20 -0.06 -0.08 0.02 0.02 0.02 -0.10 0.02 -0.01 0.83 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 0.00 0.01 -0.01 0.01 -0.06 -0.01 0.00 -0.01 0.01 0.01 -0.01 -0.06 0.00 -0.01 -0.01 -0.00 -0.03 0.06 -0.00 0.06 -0.03 -0.01 0.04 0.04 0.00 -0.00 -0.00 0.03 0.07 0.04 -0.05 0.04 -0.04 -0.00 -0.13 -0.02 0.05 -0.05 0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.02 -0.00 0.05 -0.01 0.01 -0.02 -0.01 -0.01 0.01 -0.02 0.01 -0.03 -0.01 -0.02 0.00 -0.01 0.00 -0.02 0.00 -0.06 -0.07 0.01 -0.04 0.02 0.03 0.00 0.02 0.04 -0.12 0.03 -0.08 0.08 -0.00 0.02 0.07 -0.02 0.12 0.30 -0.08 0.01 -0.03 0.01 0.01 0.06 0.04 -0.00 -0.00 -0.03 0.03 0.03 0.14 0.00 0.02 -0.00 -0.01 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.05 -0.00 0.00 0.00 0.00 0.01 -0.07 -0.01 0.01 -0.01 -0.07 -0.00 -0.03 0.06 -0.04 0.44 0.07 -0.00 0.06 -0.03 -0.07 0.06 0.43 -0.01 0.05 0.05 0.03 0.20 -0.37 0.02 -0.38 0.19 0.06 -0.33 -0.32 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 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.02 0.03 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.02 -0.05 0.02 0.06 -0.01 -0.01 -0.01 0.06 -0.02 0.00 -0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 0.01 -0.00 0.01 -0.00 -0.02 0.03 0.02 -0.06 0.04 -0.04 0.04 -0.06 -0.06 0.09 0.11 0.48 -0.03 -0.01 -0.22 -0.37 0.08 -0.27 -0.26 0.26 0.06 0.10 0.05 0.18 -0.01 -0.09 -0.20 -0.02 -0.23 -0.27 0.05 -0.19 -0.03 0.08 -0.06 -0.02 -0.01 0.02 -0.00 0.03 -0.03 0.00 -0.14 -0.01 0.04 -0.06 -0.13 0.05 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.02 -0.21 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 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.01 -0.03 0.05 -0.06 0.01 -0.02 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.00 -0.01 0.00 0.00 -0.01 -0.07 -0.00 -0.09 0.09 0.05 0.60 0.50 -0.10 0.24 0.38 0.09 0.29 0.01 -0.04 0.01 0.00 0.01 -0.01 -0.00 -0.03 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.22 -0.11 -0.02 -0.13 0.10 -0.03 -0.14 0.30 0.04 -0.33 -0.22 0.00 0.16 -0.02 0.07 -0.20 -0.28 0.02 -0.09 -0.19 0.05 0.31 -0.51 -0.05 -0.15 0.13 -0.01 0.13 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.00 0.00 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.01 -0.01 0.01 0.01 0.01 0.02 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.01 0.00 0.01 -0.01 -0.01 0.00 0.00 0.01 0.01 -0.01 -0.03 0.02 0.00 0.11 0.00 -0.03 0.03 0.09 -0.03 0.01 -0.00 0.01 -0.01 0.02 -0.04 -0.02 0.01 -0.02 -0.03 -0.00 -0.00 -0.01 0.05 -0.01 -0.00 -0.02 0.01 0.00 0.04 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.11 -0.10 -0.04 0.01 0.26 -0.02 0.10 -0.11 0.00 -0.04 -0.11 -0.01 0.25 -0.19 0.04 -0.07 -0.32 0.03 -0.17 0.12 0.03 -0.12 0.32 0.07 -0.58 0.23 -0.02 -0.23 0.10 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.01 -0.01 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.01 0.02 -0.01 -0.01 -0.01 -0.02 -0.00 -0.00 0.01 0.00 0.00 -0.02 -0.01 0.00 -0.01 0.01 0.02 -0.00 -0.00 -0.02 -0.01 0.01 0.04 -0.02 -0.00 -0.15 -0.00 0.04 -0.04 -0.11 0.05 -0.00 -0.00 -0.00 0.00 0.00 0.03 0.02 -0.00 0.01 0.01 0.00 0.01 -0.06 0.19 -0.04 0.02 -0.12 0.03 -0.01 0.18 -0.05 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.05 0.00 0.00 -0.02 -0.02 0.00 -0.04 0.05 0.00 -0.05 -0.01 0.00 -0.03 0.02 0.00 -0.02 -0.00 -0.00 0.03 -0.03 0.01 0.05 -0.12 -0.02 0.07 -0.03 0.01 0.05 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.05 -0.06 0.01 -0.03 0.02 -0.04 -0.01 0.02 0.03 0.05 -0.07 -0.02 -0.02 0.04 0.00 0.07 -0.02 0.05 0.11 -0.09 -0.09 -0.06 -0.12 -0.00 -0.03 0.05 0.02 0.01 -0.09 -0.08 0.00 -0.12 0.07 0.13 -0.01 -0.02 -0.06 -0.04 0.03 0.13 -0.10 -0.01 -0.59 -0.02 0.16 -0.19 -0.50 0.18 -0.00 -0.00 -0.00 0.01 -0.01 0.03 0.01 -0.01 0.02 0.02 0.01 0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -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 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 0.00 -0.01 -0.01 -0.01 0.00 -0.01 -0.06 0.02 -0.09 0.40 -0.34 0.27 0.24 0.05 0.31 0.16 0.07 0.54 0.00 -0.03 -0.04 -0.09 0.18 0.15 0.07 0.13 0.17 -0.04 0.06 0.20 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.04 0.02 -0.01 0.00 -0.01 0.04 -0.01 -0.01 -0.00 -0.01 0.01 0.01 0.01 -0.00 0.00 -0.01 0.00 -0.01 0.10 -0.01 -0.00 0.00 0.00 -0.01 0.11 -0.02 -0.01 -0.01 0.10 0.03 -0.11 -0.05 0.04 -0.36 -0.10 0.02 -0.10 -0.09 0.07 -0.08 -0.37 -0.04 0.19 0.15 0.00 -0.07 -0.19 0.05 -0.08 -0.12 0.09 -0.40 -0.44 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 -0.05 0.04 -0.00 0.02 -0.02 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 0.01 0.00 0.01 0.02 -0.01 0.02 -0.03 -0.04 -0.02 -0.03 -0.00 -0.01 0.01 0.01 0.01 -0.05 -0.03 -0.01 -0.06 -0.01 0.04 -0.02 -0.04 0.00 0.00 -0.00 -0.01 0.01 0.00 0.04 0.00 -0.01 0.02 0.04 -0.01 -0.02 0.02 -0.02 0.02 -0.24 0.10 -0.06 0.03 -0.04 0.22 -0.06 -0.06 0.01 0.04 -0.02 -0.02 -0.02 0.01 -0.00 0.02 -0.00 0.01 -0.19 0.02 0.00 0.00 0.00 -0.00 0.03 -0.00 -0.00 -0.00 0.02 0.01 -0.03 -0.02 0.01 -0.09 -0.02 0.01 -0.03 -0.02 0.02 -0.02 -0.10 -0.01 0.05 0.04 0.00 -0.02 -0.05 0.01 -0.02 -0.04 0.02 -0.10 -0.11 0.00 0.00 -0.00 -0.00 -0.02 0.00 -0.02 0.08 -0.08 0.01 -0.03 0.03 0.00 -0.01 -0.00 0.04 -0.03 0.03 0.00 -0.01 -0.02 -0.05 0.06 -0.01 0.03 -0.04 0.01 -0.11 -0.00 -0.00 -0.15 0.12 0.10 0.03 0.13 -0.10 0.03 -0.06 -0.03 -0.02 0.18 0.11 0.02 0.24 -0.01 -0.17 0.06 0.17 -0.01 -0.01 0.01 0.02 -0.01 -0.00 -0.08 0.00 0.02 -0.03 -0.07 0.03 0.04 -0.04 0.02 -0.04 0.49 -0.20 0.12 -0.09 0.13 -0.48 0.15 0.16 -0.01 -0.05 0.02 0.02 0.03 -0.02 0.01 -0.02 0.00 0.02 -0.12 0.01 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.01 0.00 -0.03 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.02 -0.00 0.01 0.02 0.00 -0.02 0.00 0.01 -0.02 -0.00 0.01 -0.04 -0.03 -0.00 -0.00 0.00 -0.00 -0.02 -0.00 -0.01 0.05 -0.04 0.01 -0.02 0.02 -0.00 0.01 0.00 -0.06 0.04 -0.04 -0.00 0.01 0.03 0.07 -0.08 0.01 -0.05 0.05 -0.03 0.17 -0.06 0.06 0.21 -0.12 -0.05 -0.02 -0.14 0.18 -0.03 0.07 0.04 0.02 -0.22 -0.14 -0.03 -0.32 0.00 0.23 -0.08 -0.23 0.01 0.01 -0.01 -0.04 0.01 0.01 0.13 -0.01 -0.03 0.04 0.08 -0.03 0.02 -0.04 0.02 -0.03 0.49 -0.09 0.22 -0.00 0.06 -0.41 0.07 0.04 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.12 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.02 -0.00 0.03 -0.06 0.00 -0.01 0.02 -0.00 0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 0.01 0.01 -0.01 0.00 -0.01 0.00 -0.00 0.05 0.00 -0.01 0.01 -0.02 -0.03 0.01 0.00 0.04 -0.00 0.01 0.01 -0.00 -0.03 -0.02 -0.00 -0.05 0.00 0.03 -0.01 -0.04 0.00 0.00 -0.00 -0.01 0.00 0.00 0.03 -0.01 -0.01 0.01 0.01 -0.01 0.03 0.03 -0.03 -0.02 -0.33 -0.28 -0.45 -0.40 0.34 0.06 0.26 0.48 0.01 0.02 -0.01 -0.01 -0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.03 -0.02 0.04 -0.00 -0.01 -0.02 -0.03 0.02 -0.00 -0.01 -0.04 -0.01 0.40 -0.06 -0.02 -0.32 0.14 -0.04 0.19 0.51 0.15 0.01 0.03 0.06 0.08 -0.33 -0.18 -0.10 -0.13 -0.24 -0.08 -0.06 -0.36 -0.01 -0.01 0.00 0.02 -0.00 -0.00 -0.04 0.01 0.01 -0.02 -0.03 0.01 0.00 -0.00 0.01 0.00 -0.02 0.00 -0.01 0.03 -0.03 0.02 -0.02 -0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.02 0.03 0.16 0.17 -0.20 -0.10 -0.10 -0.24 0.05 0.10 0.05 0.02 0.01 -0.05 -0.50 -0.14 0.36 0.24 -0.07 0.53 -0.12 -0.02 -0.22 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.01 0.02 0.01 -0.01 -0.01 -0.00 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.04 -0.34 0.03 -0.00 0.00 -0.00 -0.01 0.06 0.05 0.01 -0.05 -0.05 0.01 -0.00 -0.04 0.01 -0.14 0.03 -0.00 0.04 -0.00 -0.01 -0.04 0.10 -0.00 -0.01 0.03 -0.01 -0.08 0.09 -0.00 -0.11 0.07 0.01 -0.04 0.00 0.00 -0.00 0.00 0.01 -0.01 0.02 -0.09 0.17 -0.16 0.02 -0.07 0.06 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.08 -0.02 0.03 0.11 -0.03 0.05 -0.04 -0.13 0.01 0.01 0.00 0.01 -0.03 -0.10 -0.01 0.01 0.04 0.01 -0.09 0.01 -0.07 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.02 -0.01 -0.00 0.00 -0.01 -0.00 0.03 -0.01 0.11 0.02 -0.32 -0.03 -0.23 0.32 -0.39 0.33 -0.26 -0.25 -0.01 -0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.06 0.05 0.01 -0.05 -0.05 0.01 -0.00 -0.04 0.01 -0.13 0.03 -0.00 0.04 -0.00 -0.01 -0.04 0.11 0.00 -0.02 0.02 -0.01 -0.08 0.09 -0.01 -0.10 0.07 0.00 -0.03 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.02 0.01 -0.03 0.00 0.01 0.01 0.00 -0.03 0.00 -0.00 -0.02 0.03 0.28 0.14 -0.18 -0.26 -0.03 -0.27 0.09 0.29 0.04 -0.04 -0.02 -0.03 0.15 0.47 0.04 -0.02 -0.15 -0.02 0.40 -0.03 0.35 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.02 -0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.01 0.02 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.02 0.15 -0.01 0.00 0.00 -0.00 -0.03 0.15 0.13 0.03 -0.13 -0.14 0.02 -0.01 -0.09 0.02 -0.33 0.07 -0.01 0.11 -0.00 -0.02 -0.10 0.28 0.00 -0.04 0.04 -0.02 -0.20 0.22 -0.01 -0.26 0.19 0.01 -0.07 0.04 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.04 -0.07 0.07 -0.01 0.03 -0.03 -0.00 0.00 -0.00 0.02 -0.01 0.02 -0.00 -0.00 -0.01 -0.01 0.02 -0.01 0.01 0.01 -0.02 -0.16 -0.10 0.12 0.10 0.06 0.18 -0.04 -0.11 -0.04 0.02 0.01 0.02 -0.09 -0.31 -0.02 0.01 0.11 0.01 -0.27 0.02 -0.22 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.02 0.01 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.05 -0.01 0.11 0.01 0.08 -0.13 0.16 -0.12 0.11 0.10 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 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.03 0.02 0.02 0.24 0.27 -0.30 0.19 -0.32 -0.37 0.02 -0.17 0.30 0.02 -0.03 0.01 0.15 -0.11 -0.16 -0.07 0.38 -0.18 -0.34 0.11 0.13 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.00 0.02 -0.01 0.01 -0.02 0.01 0.01 -0.08 -0.01 0.02 0.05 0.02 -0.02 0.04 0.02 -0.02 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.01 0.01 -0.06 0.02 -0.09 -0.01 0.03 0.05 0.09 -0.11 0.00 0.00 -0.00 -0.00 0.05 -0.15 0.16 -0.33 0.22 0.05 0.01 0.33 -0.27 0.00 -0.00 -0.01 0.01 -0.18 -0.11 0.03 0.48 0.09 -0.40 0.17 0.23 0.02 0.01 -0.01 -0.07 -0.03 0.03 0.14 -0.07 -0.02 0.05 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.02 0.01 0.01 -0.01 0.01 -0.01 -0.01 0.16 -0.06 -0.02 -0.04 0.01 0.01 -0.23 -0.19 0.11 0.02 -0.09 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.02 0.00 0.00 0.00 0.01 -0.04 0.03 0.02 -0.08 0.05 -0.08 -0.00 0.02 0.04 0.08 -0.10 0.01 -0.01 0.01 -0.01 0.03 -0.07 0.08 -0.16 0.09 -0.01 -0.01 0.14 -0.15 -0.01 0.01 -0.01 0.01 -0.07 -0.07 0.02 0.22 0.08 -0.15 0.09 0.17 -0.06 -0.01 0.02 0.31 0.16 -0.13 -0.50 0.32 0.05 -0.16 0.28 -0.04 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.01 0.59 -0.10 -0.12 -0.41 -0.10 0.13 0.16 0.18 -0.09 -0.05 0.13 -0.01 0.00 0.00 -0.00 0.00 0.01 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.01 -0.03 0.01 -0.00 0.00 -0.01 -0.12 0.08 0.02 -0.09 0.08 -0.04 0.00 0.00 0.02 0.08 -0.09 0.01 -0.01 0.01 -0.01 0.01 -0.03 0.04 -0.07 0.04 -0.03 -0.02 0.05 -0.08 -0.01 0.01 -0.01 0.01 -0.03 -0.05 0.02 0.10 0.07 -0.04 0.05 0.11 -0.02 0.00 0.00 -0.17 -0.08 0.07 0.14 -0.17 0.01 0.04 -0.38 0.09 -0.00 0.00 -0.00 -0.01 0.01 -0.02 0.01 -0.01 0.01 -0.02 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 0.00 0.46 -0.06 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.14 -0.30 -0.20 0.24 0.53 0.37 -0.01 -0.09 -0.01 -0.00 0.00 0.00 0.01 -0.02 -0.01 -0.00 0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.02 -0.01 0.01 0.01 -0.01 0.00 0.01 -0.01 0.01 -0.04 -0.03 -0.07 -0.01 -0.11 -0.02 -0.18 -0.04 -0.11 0.19 0.09 0.20 -0.05 0.03 0.03 0.02 0.00 -0.01 0.00 -0.00 -0.00 0.03 -0.01 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.02 0.02 0.00 -0.00 -0.00 0.01 0.02 -0.03 -0.04 -0.21 0.47 0.57 0.07 -0.22 -0.35 0.10 -0.17 -0.07 0.01 0.02 0.03 -0.08 0.06 0.03 -0.18 0.01 -0.11 -0.06 0.04 -0.25 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.06 0.12 0.07 -0.06 0.05 0.16 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.07 -0.03 -0.01 0.01 -0.01 0.01 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -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 0.03 -0.02 -0.22 -0.19 0.35 0.60 -0.32 -0.43 0.11 0.14 -0.01 0.01 0.01 -0.06 0.03 -0.06 0.23 0.01 -0.09 -0.05 -0.18 0.05 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -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 0.08 0.07 -0.12 -0.21 0.12 0.14 -0.04 -0.04 -0.03 0.04 0.02 -0.16 0.08 -0.17 0.65 0.02 -0.25 -0.16 -0.54 0.15 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 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 -0.03 0.66 0.03 -0.16 -0.12 0.42 0.34 -0.10 -0.42 0.21 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.01 0.01 0.00 0.04 0.04 0.08 0.14 -0.08 0.26 -0.08 -0.08 -0.06 -0.05 0.03 0.00 -0.02 0.02 0.57 -0.00 -0.21 0.17 0.67 -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 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.08 -0.03 0.03 -0.00 0.12 0.12 0.22 0.41 -0.21 0.70 -0.21 -0.23 0.02 0.02 -0.01 -0.00 0.01 -0.01 -0.20 -0.00 0.07 -0.06 -0.25 0.07 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.07 0.02 0.06 0.69 0.03 -0.15 0.13 -0.50 -0.39 0.04 0.24 -0.11 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.07 -0.05 0.06 0.70 0.62 0.08 0.11 -0.08 -0.28 0.07 0.09 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.09 0.01 0.16 -0.01 -0.04 -0.11 0.39 0.31 0.17 0.73 -0.37 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.06 0.04 -0.06 0.62 -0.32 0.67 0.16 0.01 -0.07 -0.05 -0.16 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 -0.08 0.02 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 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 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 0.00 0.01 0.23 -0.07 0.91 -0.29 -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 0.01 0.01 -0.07 0.00 -0.02 0.01 -0.01 0.04 0.02 -0.06 -0.13 0.80 -0.00 0.00 0.00 -0.03 0.23 -0.04 -0.00 -0.01 0.01 0.09 -0.45 -0.24 0.00 -0.01 -0.02 0.00 0.09 -0.08 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 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 0.01 -0.03 0.00 -0.03 0.00 0.01 -0.05 -0.02 -0.03 -0.07 0.37 -0.01 0.01 0.03 -0.03 0.30 -0.05 0.00 0.03 -0.03 -0.11 0.56 0.29 0.06 -0.16 -0.32 -0.01 -0.32 0.32 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -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 0.01 -0.03 -0.00 0.01 0.00 0.01 -0.04 -0.02 -0.02 -0.06 0.32 0.01 -0.03 -0.06 0.02 -0.13 0.02 -0.00 -0.01 0.02 -0.08 0.41 0.21 -0.14 0.34 0.68 0.01 0.16 -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 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.01 -0.06 0.01 0.00 -0.02 -0.01 0.01 0.02 -0.16 -0.00 0.01 0.01 -0.07 0.64 -0.10 -0.00 -0.04 0.04 -0.04 0.17 0.10 0.03 -0.07 -0.12 0.02 0.49 -0.49 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -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 0.02 0.01 -0.06 0.01 -0.00 0.02 0.01 0.02 0.04 -0.24 0.01 -0.02 -0.04 -0.07 0.63 -0.10 0.00 0.03 -0.03 0.04 -0.19 -0.10 -0.09 0.21 0.43 -0.01 -0.34 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 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -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 0.03 -0.00 -0.01 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.08 0.03 0.06 0.92 -0.29 -0.22 0.07 0.04 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.28 -0.01 0.96 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.02 -0.00 -0.06 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 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 6 6 6 1 45 6 6 6 1 6 1 6 1 1 1 17 8 6 8 8 6 8 7 6 1 1 1 6 1 1 1 8 6 1 1 6 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 6 6 6 1 45 6 6 6 1 6 1 6 1 1 1 17 8 6 8 8 6 8 7 6 1 1 1 6 1 1 1 8 6 1 1 6 1 1 1 12.00000 12.00000 12.00000 1.00783 102.90480 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 1.00783 1.00783 34.96885 15.99491 12.00000 15.99491 15.99491 12.00000 15.99491 14.00307 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 15.99491 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 416.98433 5286.80382 9022.05157 9422.43530 0.99921 -0.03886 0.00787 0.03869 0.99905 0.01989 -0.00864 -0.01957 0.99977 asymmetric 1 0.01638 0.00960 0.00919 0.34137 0.20004 0.19154 792963.5 37.83 64.47 72.09 91.50 97.87 125.02 138.39 142.32 151.50 162.23 172.86 186.09 190.07 208.20 236.32 252.20 269.96 289.76 318.22 351.38 358.85 370.37 400.14 431.26 438.59 509.67 546.40 568.64 585.17 699.07 701.62 740.62 819.93 841.36 863.21 897.18 924.27 929.89 1000.75 1055.46 1089.38 1097.97 1157.92 1192.08 1206.71 1221.99 1252.82 1261.89 1276.96 1299.91 1313.10 1341.39 1388.15 1393.69 1463.81 1481.32 1504.29 1515.63 1534.92 1546.01 1561.86 1567.07 1591.31 1625.01 1643.15 1650.79 1698.37 1710.63 1752.60 1785.97 1837.14 1862.00 1871.05 1922.29 2000.22 2030.34 2039.87 2051.19 2102.39 2108.90 2112.91 2121.03 2130.18 2153.42 2160.91 2175.05 2176.70 2178.59 2189.08 2244.68 2289.34 2380.22 2544.05 2651.90 4392.25 4402.20 4450.62 4492.42 4502.21 4578.15 4608.51 4624.71 4663.95 4705.01 4718.11 4731.08 4740.81 4752.89 4763.25 4773.37 5142.77 0.302024 0.325565 0.326509 0.247836 -1544.821659 -1544.798118 -1544.797174 -1544.875847 204.295 84.459 165.582 0.000 0.000 0.000 0.889 2.981 43.974 0.889 2.981 34.462 202.518 78.497 87.145 1 0.593 1.985 6.091 2 0.595 1.979 5.034 3 0.595 1.978 4.813 4 0.597 1.972 4.342 5 0.598 1.969 4.210 6 0.601 1.958 3.729 7 0.603 1.952 3.530 8 0.604 1.950 3.476 9 0.605 1.945 3.354 10 0.607 1.939 3.221 11 0.609 1.932 3.098 12 0.612 1.924 2.956 13 0.612 1.921 2.915 14 0.616 1.908 2.741 15 0.623 1.886 2.500 16 0.627 1.873 2.378 17 0.632 1.857 2.251 18 0.638 1.838 2.120 19 0.648 1.809 1.949 20 0.660 1.772 1.772 21 0.662 1.764 1.735 22 0.667 1.750 1.679 23 0.679 1.714 1.545 24 0.692 1.674 1.418 25 0.696 1.665 1.390 26 0.730 1.567 1.147 27 0.750 1.513 1.040 28 0.762 1.480 0.980 29 0.771 1.456 0.938 30 0.842 1.281 0.694 31 0.844 1.277 0.690 32 0.870 1.217 0.622 33 0.926 1.096 0.504 34 0.942 1.064 0.477 35 0.958 1.032 0.450 0.840863e+25 24.924725 57.391301 0.331067e+10 9.519915 21.920415 0.100000e+01 0.000000 0.000000 0.334683e+09 8.524633 19.628694 0.758886e+07 6.880176 15.842192 Title Card Required ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -4.0315 1.5315 2.5728 5.0217 -121.8572 -146.8448 -135.7573 -8.4123 1.7437 -3.1487 12.9625 -12.0250 -0.9375 -8.4123 1.7437 -3.1487 -4.8574 20.8066 52.5082 -29.1089 -47.9210 4.7313 -16.1940 -3.6931 -11.6407 4.7183 -4347.0142 -1984.4049 -1697.2217 -129.1452 -28.5616 32.8321 -91.2259 33.8656 40.6415 -1033.1364 -1004.2417 -647.8059 12.2216 -5.4366 12.4453 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1545.1236831 1.193E-9 7.104E-6 0.3020239 0.3255651 9.6373267,-8.9402955,-0.6970312,-6.2543712,1.2963895,-2.3409879 C01 [X(C14H17Cl1N1O5Rh1)] -1.5861021 0.6025493 1.0122122 1.6835175 -0.1755751 -0.181796 -0.7266772 0.7534155 -0.2793031 -0.1739318 -0.1660357 0.2091711 -0.1896676 0.1000857 -0.0008503 0.1223933 0.0711679 -0.0337311 -0.0097641 -0.0683955 -0.1647582 -0.2577046 -0.2719801 0.0549877 -0.10908 0.0370321 -0.0650577 0.0360026 0.0494313 -0.2839867 0.2859249 -0.0473726 0.0342316 0.0403979 0.3406696 0.0316801 -0.0188671 -0.0568035 0.7355364 1.4368376 0.1063187 0.2304355 0.0373449 0.0385221 0.1985913 0.2018315 0.1644178 0.2436366 -0.1823884 -0.0657288 -0.0610869 0.0222804 -0.0626286 0.0505958 0.0321516 -0.0011355 0.1362746 -0.3562344 -0.161981 0.0388456 -0.1548918 0.0454638 0.0161068 -0.0431602 0.1530331 -0.0194762 -0.3616716 0.0560444 -0.0466003 0.0778246 0.0232439 -0.0500631 0.1143088 -0.0852203 0.060674 0.1465868 0.0085698 -0.0027869 0.0006524 0.099988 0.0194219 0.0276375 0.0137379 0.0186438 -0.0991467 0.086766 -0.0508673 -0.0879632 0.238176 0.0033269 -0.1051644 -0.0294345 0.0441201 0.1614019 0.0437723 0.0069817 0.0000307 0.0553693 0.0117548 0.010919 0.0273536 0.1043604 -0.0711807 -0.1445382 0.0040339 -0.0300571 0.049886 -0.0792743 -0.0367714 -0.0942941 0.0325193 0.1230631 0.0301563 0.0268192 0.0333166 0.0277823 -0.0315779 0.012585 -0.023129 0.0897361 0.121197 0.0074941 0.0144958 -0.0069747 0.0958033 -0.0141977 0.0058905 -0.0177245 0.056135 0.1646127 -0.0203726 0.0405878 0.0358072 0.0614156 0.0434732 0.0134217 0.0301892 0.0782095 -0.7903256 0.362653 0.0975258 0.5168457 -0.7284993 -0.1487097 0.1193204 -0.1381579 -0.3853084 -0.6902844 -0.3392312 -0.6365128 -0.5133711 -0.8490926 -0.5503443 -0.7760911 -0.4965331 -1.2540713 0.8386769 0.1182085 0.5683608 0.6134166 1.7996489 0.4764993 0.5077828 0.1014055 1.4040824 -0.4040461 0.1936622 -0.1824541 -0.1125503 -1.1245909 0.0297185 -0.0929055 0.3244872 -0.8828135 -1.6136544 0.6827865 -0.2918121 0.8834493 -0.8432734 0.2280386 -0.6316167 0.3461537 -0.7194559 1.9883776 -1.0731976 0.0934555 -1.3811077 1.6599764 0.3478198 0.5961159 0.0828581 1.4865908 -0.8483183 0.2635264 0.0762123 0.4041363 -0.8577241 -0.3661591 0.115877 -0.403257 -1.1009994 -1.1993979 0.6719818 0.0657835 0.6268364 -0.9688231 -0.1547089 0.0358941 -0.0898332 -0.5945323 0.4804066 -0.1169785 0.1161771 -0.0250699 0.2281573 -0.2012447 0.2731396 -0.2844537 0.3274984 0.1324089 -0.003287 0.0081535 -0.0486351 0.0111279 -0.0863599 -0.0424575 -0.0243099 0.0016756 -0.0132277 -0.0820776 0.0334899 -0.0040772 -0.0910782 0.1124573 -0.0651963 0.0925003 0.0015372 -0.1579955 0.084252 0.0205413 0.0815312 0.0516225 0.0301241 0.0813623 0.0041364 0.0353256 0.2861733 0.0142943 -0.1678909 -0.0025076 0.3726744 0.2167251 -0.3192377 0.2926453 0.3774522 0.0955505 -0.0008479 -0.0816319 0.0204886 0.0839727 0.0328239 -0.085249 0.0101362 0.0245075 -0.1978909 0.0476898 0.1379161 -0.0198401 0.030045 -0.0412007 0.0749248 -0.0583795 0.0135889 0.0784699 -0.0618213 0.0302328 -0.0051516 -0.1405734 -0.0325366 0.0779321 0.0430096 0.0075185 -0.9552251 -0.2868944 0.2826628 -0.2358529 -0.7185998 0.2992261 0.3008555 0.2712098 -0.2654552 0.3556904 -0.0526152 -0.1436436 -0.0338553 -0.0162028 -0.0213082 -0.1158948 -0.0142226 -0.0422616 0.0590078 -0.041428 0.0366707 -0.0032169 0.0097951 0.0526593 0.0341871 0.0700019 0.1512547 -0.0311148 0.0917364 0.0214396 0.0494925 0.0948106 0.0106929 0.0316475 -0.0117443 0.146993 -0.2399272 -0.0227281 -0.2675343 -0.0712485 0.024716 -0.0787661 -0.134173 0.0034834 -0.2241501 0.0268498 -0.0049633 0.0115125 -0.0038389 0.1102597 0.0261294 -0.0114798 0.0161654 0.1051552 0.0909665 0.0438957 0.0312153 0.0379899 0.0046951 -0.0637323 -0.0337245 -0.0493327 -0.0066959 0.1036823 -0.0402755 0.0326989 -0.0282673 -0.0183508 0.0604106 -0.0081024 0.016041 0.0517679 274.3256658|-6.2275351|239.9932799|-2.938507|-2.4853009|201.5175595 -0.000005455 0.000004764 -0.000008114 0.000000139 0.000005996 0.000004329 0.000000983 -0.000004765 -0.000001210 0.000002894 -0.000000540 0.000001656 -0.000000691 0.000017000 0.000002493 0.000004098 0.000003262 0.000008111 -0.000001752 -0.000008150 -0.000001018 -0.000003605 0.000007168 0.000002422 -0.000001953 0.000004427 -0.000001994 0.000005145 -0.000001312 -0.000008919 -0.000003304 0.000001312 -0.000000755 0.000001740 0.000013060 -0.000010287 -0.000000247 0.000004818 -0.000002544 0.000000158 0.000002009 -0.000000788 0.000001773 0.000004890 -0.000001884 0.000000297 -0.000003536 -0.000001366 0.000004268 0.000011240 0.000003850 0.000001618 -0.000014798 -0.000007952 -0.000001215 0.000002944 -0.000011221 -0.000015751 -0.000010299 -0.000007285 0.000028494 0.000027909 -0.000013934 -0.000005876 -0.000017819 0.000021694 -0.000009500 -0.000009709 0.000012628 -0.000006117 -0.000007755 0.000002524 -0.000001505 -0.000001221 0.000002327 -0.000000755 -0.000003553 0.000003577 -0.000002399 -0.000004971 0.000002679 0.000000403 0.000001923 0.000001114 -0.000001865 -0.000006389 0.000000196 -0.000001617 -0.000004620 0.000001973 -0.000006675 -0.000006300 0.000003764 0.000010747 0.000001749 0.000002053 0.000006450 -0.000011268 0.000001233 0.000005882 -0.000000419 -0.000000531 0.000000721 0.000000454 -0.000000576 -0.000003070 0.000002704 0.000001697 -0.000000947 -0.000001815 0.000000836 0.000001281 0.000000049 -0.000000003 -0.000002794 0.000001562 -0.000000775 400.51199999999983 AuxInfo=1/1/N:24,28,3,2,33,1,21,23,22,32,20;6,7,8,10,12;36,18,19,17;16;5/E:(1,2);(1,2,3,4,5);;;/CRV:3.3,4.2,5.3,6.3,7.3,9.1;1.3,2.3,3.3,4.3,5.3;2.3,4-1;;/rA:39C3C3C3HRhCCCHCHCHHHClOC3OOC3O1NCHHHCHHHOC3HHCHHH/rB:s1;s2;;s2;s5;s5s6;s5s6;s6;s5s7;s7;s5s8s10;s8;s10;s12;s5;s5;s17;s4s18;s1;s20;s21;s21;s23;s24;s24;s24;s23;s28;s28;s28;s1;s3s32;s33;s3;s18;s36;s36;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;